#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j5i n GLU 5 N 0.00 1.82 -1.07 -0.72 4.71 -1.26 -1.64 120.64 122.48 2j5i n GLU 5 Ca 0.00 0.65 -0.02 0.00 -0.01 0.00 0.00 57.16 57.78 2j5i n GLU 5 Cb 0.00 -2.32 -0.01 0.00 -1.01 0.00 0.00 31.44 28.10 2j5i n GLU 5 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2j5i n GLY 6 N 2.60 0.29 0.18 0.62 0.00 -1.26 -4.88 105.19 102.75 2j5i n GLY 6 Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 0.28 -5.74 1.61 2.43 -1.65 -3.45 114.38 107.97 2j5i h ARG 7 Ca -0.05 -0.17 -0.48 0.00 -0.81 0.00 0.00 59.98 58.46 2j5i h ARG 7 Cb 0.92 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 30.31 2j5i h ARG 7 CO 0.07 0.75 -0.77 -1.58 -1.51 0.00 0.00 179.97 176.94 2j5i s TRP 8 N -3.89 1.70 0.01 2.20 0.51 -1.26 -5.07 118.94 113.13 2j5i s TRP 8 Ca -0.05 -0.51 -0.18 0.00 -2.12 0.00 0.00 56.10 53.24 2j5i s TRP 8 Cb 0.12 -0.84 -0.29 0.00 -0.81 0.00 0.00 33.47 31.65 2j5i s TRP 8 CO 0.80 0.29 1.03 -0.22 -0.51 0.00 0.00 176.95 178.34 2j5i h LYS 9 N 3.18 0.47 -0.01 4.98 3.64 -1.98 -3.39 116.57 123.46 2j5i h LYS 9 Ca -0.41 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.33 2j5i h LYS 9 Cb 1.21 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2j5i h LYS 9 CO 0.53 1.27 -0.27 0.25 -2.27 0.00 0.00 179.45 178.96 2j5i n THR 10 N -4.00 0.00 -3.91 1.00 -2.24 -1.26 -4.92 114.28 98.95 2j5i n THR 10 Ca -0.13 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2j5i n THR 10 Cb 0.86 1.13 -0.13 0.00 -2.10 0.00 0.00 70.33 70.09 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 -1.57 0.05 0.11 2.28 1.01 -1.26 0.10 120.40 121.12 2j5i s VAL 11 Ca 0.09 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.79 2j5i s VAL 11 Cb 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 2j5i s VAL 11 CO 0.31 -0.21 -0.25 -0.54 0.00 0.00 0.00 175.10 174.41 2j5i s LYS 12 N -0.62 1.54 -0.08 2.72 1.02 -0.09 -4.30 119.74 119.93 2j5i s LYS 12 Ca -0.07 -1.27 0.03 0.00 0.02 0.00 0.00 55.97 54.68 2j5i s LYS 12 Cb -0.04 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.32 2j5i s LYS 12 CO -0.00 0.47 -0.17 0.08 -0.92 0.00 0.00 175.35 174.81 2j5i s VAL 13 N -1.02 1.50 -0.13 3.17 1.01 -1.26 -0.33 120.40 123.34 2j5i s VAL 13 Ca 0.14 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2j5i s VAL 13 Cb -0.10 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.98 2j5i s VAL 13 CO 0.06 0.44 -0.04 -1.61 0.00 0.00 0.00 175.10 173.94 2j5i s GLU 14 N 0.58 1.23 -0.21 2.72 2.02 -0.24 -4.68 118.70 120.13 2j5i s GLU 14 Ca -0.15 -0.28 -0.09 0.00 0.02 0.00 0.00 54.97 54.46 2j5i s GLU 14 Cb -0.17 -1.64 -0.05 0.00 0.10 0.00 0.00 34.13 32.38 2j5i s GLU 14 CO 0.05 -0.36 0.12 0.42 0.02 0.00 0.00 175.26 175.51 2j5i s ILE 15 N 1.75 5.23 -0.15 -1.63 1.01 -1.26 -0.55 121.20 125.60 2j5i s ILE 15 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.80 2j5i s ILE 15 Cb -0.14 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.98 2j5i s ILE 15 CO -0.07 0.42 -0.05 -1.83 0.00 0.00 0.00 174.94 173.40 2j5i s GLU 16 N 0.56 1.39 -1.34 2.79 -1.05 -0.03 -4.88 118.70 116.14 2j5i s GLU 16 Ca 0.07 -0.44 -0.08 0.00 -0.15 0.00 0.00 54.97 54.36 2j5i s GLU 16 Cb -0.12 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.67 2j5i s GLU 16 CO 0.00 -0.41 0.50 -0.25 0.95 0.00 0.00 175.26 176.05 2j5i n ASP 17 N 4.90 -1.73 0.00 0.83 8.00 -1.26 -1.03 116.55 126.26 2j5i n ASP 17 Ca -0.12 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2j5i n ASP 17 Cb 0.48 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 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 -1.97 2.32 3.45 0.44 0.00 -1.25 -5.01 105.19 103.17 2j5i n GLY 18 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.31 5.04 -0.51 -0.61 1.01 -0.20 -0.50 121.20 123.14 2j5i s ILE 19 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 60.65 59.79 2j5i s ILE 19 Cb 0.00 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.74 2j5i s ILE 19 CO 0.00 -0.23 0.77 0.00 0.00 0.00 0.00 174.94 175.48 2j5i s ALA 20 N 1.65 3.28 -0.26 9.38 0.00 0.27 -0.85 121.76 135.22 2j5i s ALA 20 Ca 0.04 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 2j5i s ALA 20 Cb -0.19 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.44 2j5i s ALA 20 CO 0.09 -2.11 1.05 -0.06 0.00 0.00 0.00 175.76 174.73 2j5i s PHE 21 N 3.24 3.27 -0.29 0.00 0.40 0.29 -0.94 117.98 123.96 2j5i s PHE 21 Ca 0.24 1.37 -0.08 0.00 -0.60 0.00 0.00 56.93 57.85 2j5i s PHE 21 Cb -0.15 -3.41 -0.01 0.00 0.51 0.00 0.00 43.02 39.97 2j5i s PHE 21 CO 0.17 -0.58 0.11 0.08 0.70 0.00 0.00 175.22 175.70 2j5i s VAL 22 N 3.35 4.32 -0.28 -0.44 1.01 0.97 -1.08 120.40 128.25 2j5i s VAL 22 Ca 0.44 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2j5i s VAL 22 Cb -0.14 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.13 2j5i s VAL 22 CO 0.09 0.14 -0.06 -0.63 0.00 0.00 0.00 175.10 174.64 2j5i s ILE 23 N 1.58 2.56 0.15 2.22 1.01 0.55 -0.91 121.20 128.37 2j5i s ILE 23 Ca 0.04 -1.51 -0.31 0.00 0.00 0.00 0.00 60.65 58.87 2j5i s ILE 23 Cb -0.17 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 2j5i s ILE 23 CO 0.04 -0.06 1.63 -0.76 0.00 0.00 0.00 174.94 175.79 2j5i s LEU 24 N 1.17 4.37 -0.46 2.97 1.43 -0.45 -0.91 118.68 126.81 2j5i s LEU 24 Ca -0.07 2.65 0.09 0.00 -1.03 0.00 0.00 54.13 55.77 2j5i s LEU 24 Cb -0.20 -3.59 0.34 0.00 0.03 0.00 0.00 46.19 42.77 2j5i s LEU 24 CO -0.03 -0.87 0.81 -3.20 0.23 0.00 0.00 176.35 173.29 2j5i n ASN 25 N 4.34 2.29 -3.01 2.29 4.05 0.29 -0.84 115.26 124.68 2j5i n ASN 25 Ca 0.15 -3.27 -0.23 0.00 0.45 0.00 0.00 54.58 51.67 2j5i n ASN 25 Cb 0.38 -0.60 -0.03 0.00 1.23 0.00 0.00 39.78 40.76 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 0.12 2.34 0.20 1.20 1.74 -1.26 -4.56 116.66 116.44 2j5i n ARG 26 Ca 0.27 -4.25 0.13 0.00 -0.77 0.00 0.00 57.85 53.24 2j5i n ARG 26 Cb 0.55 -2.01 0.72 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.86 0.12 132.00 138.92 2j5i h PRO 27 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2j5i h PRO 27 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 2j5i h PRO 27 CO 0.69 0.00 -0.00 0.93 -0.23 0.00 0.00 178.00 179.39 2j5i h GLU 28 N 0.00 0.00 -0.23 0.86 3.07 -1.94 -1.97 114.58 114.38 2j5i h GLU 28 Ca 0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 2j5i h GLU 28 Cb 0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 2j5i h GLU 28 CO -0.00 0.00 -0.02 1.63 -1.40 0.00 0.00 179.01 179.23 2j5i n LYS 29 N -3.09 2.43 -3.96 2.33 5.02 -0.13 -4.96 118.16 115.81 2j5i n LYS 29 Ca -0.00 -2.86 -0.30 0.00 -2.02 0.00 0.00 58.31 53.13 2j5i n LYS 29 Cb 0.25 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.79 -4.79 -3.10 1.97 1.74 -0.74 -1.88 116.66 109.07 2j5i n ARG 30 Ca 0.22 0.54 -0.22 0.00 -0.77 0.00 0.00 57.85 57.62 2j5i n ARG 30 Cb 0.87 -5.29 0.01 0.00 -1.02 0.00 0.00 32.46 27.04 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 -2.84 -4.96 -4.75 0.55 3.02 0.23 -1.08 115.26 105.44 2j5i n ASN 31 Ca -0.03 -0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 53.82 2j5i n ASN 31 Cb 0.55 -4.05 -0.01 0.00 -0.61 0.00 0.00 39.78 35.66 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 -3.40 2.20 -2.74 5.41 0.00 -0.79 -4.38 120.51 116.82 2j5i n ALA 32 Ca -0.08 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 2j5i n ALA 32 Cb 0.59 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.58 3.20 0.51 0.00 1.00 0.34 -4.67 119.30 118.10 2j5i s MET 33 Ca 0.57 -0.54 -0.01 0.00 0.00 0.00 0.00 55.69 55.70 2j5i s MET 33 Cb -0.50 -4.15 0.01 0.00 0.00 0.00 0.00 34.83 30.18 2j5i s MET 33 CO 0.59 -1.73 0.76 -1.54 0.00 0.00 0.00 175.02 173.10 2j5i s SER 34 N 3.37 5.67 0.26 3.03 1.04 -1.26 -1.32 113.70 124.49 2j5i s SER 34 Ca 0.27 0.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.06 2j5i s SER 34 Cb -0.14 -1.49 0.53 0.00 0.10 0.00 0.00 66.02 65.02 2j5i s SER 34 CO 0.14 -0.88 1.77 -0.65 0.98 0.00 0.00 173.24 174.60 2j5i h PRO 35 N 0.17 0.63 -0.31 4.02 0.11 -1.92 -0.71 132.00 133.99 2j5i h PRO 35 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2j5i h PRO 35 Cb 1.26 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2j5i h PRO 35 CO 0.58 0.42 0.19 1.15 -0.21 0.00 0.00 178.00 180.12 2j5i h THR 36 N 0.65 1.05 -0.95 -1.15 2.02 -2.00 -1.96 112.91 110.58 2j5i h THR 36 Ca 0.46 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.53 2j5i h THR 36 Cb 0.63 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 2j5i h THR 36 CO -0.35 0.07 0.63 0.25 0.37 0.00 0.00 175.52 176.49 2j5i h LEU 37 N 0.39 1.06 -0.24 2.58 6.46 -1.78 -0.75 115.31 123.03 2j5i h LEU 37 Ca 0.12 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2j5i h LEU 37 Cb -0.02 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 2j5i h LEU 37 CO -0.04 0.75 0.16 0.78 -0.62 0.00 0.00 178.44 179.47 2j5i h ASN 38 N 1.24 0.28 -0.83 1.25 2.35 -0.47 -0.41 115.58 118.99 2j5i h ASN 38 Ca 0.36 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2j5i h ASN 38 Cb -0.08 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.18 2j5i h ASN 38 CO -0.09 0.20 0.52 0.03 -1.65 0.00 0.00 177.43 176.44 2j5i h ARG 39 N 0.33 1.13 -0.25 0.81 3.08 -0.93 -2.09 114.38 116.46 2j5i h ARG 39 Ca 0.09 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2j5i h ARG 39 Cb -0.04 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 29.77 2j5i h ARG 39 CO -0.02 0.78 -0.58 0.93 -1.07 0.00 0.00 179.97 180.00 2j5i h GLU 40 N 1.15 0.79 -0.32 0.04 5.08 -0.73 -2.68 114.58 117.91 2j5i h GLU 40 Ca 0.30 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2j5i h GLU 40 Cb -0.07 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2j5i h GLU 40 CO -0.06 1.15 0.06 0.52 -1.00 0.00 0.00 179.01 179.68 2j5i h MET 41 N 0.60 0.47 -0.41 2.33 2.86 -0.89 0.20 114.93 120.10 2j5i h MET 41 Ca 0.00 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2j5i h MET 41 Cb 1.18 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2j5i h MET 41 CO 0.12 0.46 0.22 0.82 1.06 0.00 0.00 176.91 179.60 2j5i h ILE 42 N 0.47 1.15 -0.49 -1.22 2.04 -1.23 -0.18 117.51 118.06 2j5i h ILE 42 Ca 0.11 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2j5i h ILE 42 Cb 0.22 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2j5i h ILE 42 CO -0.00 0.16 0.12 -0.78 0.00 0.00 0.00 178.15 177.65 2j5i h ASP 43 N 0.53 0.74 0.11 1.72 3.58 -1.06 -1.38 116.42 120.66 2j5i h ASP 43 Ca 0.14 -0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.37 2j5i h ASP 43 Cb 0.06 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 2j5i h ASP 43 CO -0.02 0.78 -0.21 0.58 -2.88 0.00 0.00 179.24 177.49 2j5i h VAL 44 N 0.66 0.54 -0.65 2.25 2.07 -0.44 0.09 116.25 120.77 2j5i h VAL 44 Ca 0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.69 2j5i h VAL 44 Cb 0.33 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2j5i h VAL 44 CO 0.00 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.94 2j5i h LEU 45 N -0.39 0.70 -0.99 2.57 3.38 -0.87 -0.83 115.31 118.88 2j5i h LEU 45 Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2j5i h LEU 45 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2j5i h LEU 45 CO -0.11 0.49 -0.07 -0.33 0.09 0.00 0.00 178.44 178.52 2j5i h GLU 46 N 0.83 0.66 -0.09 1.13 5.08 -1.04 -2.03 114.58 119.12 2j5i h GLU 46 Ca 0.25 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 2j5i h GLU 46 Cb -0.03 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2j5i h GLU 46 CO -0.08 0.72 -0.23 1.15 -1.00 0.00 0.00 179.01 179.57 2j5i h THR 47 N 0.61 1.40 0.00 1.13 2.02 -0.67 -3.21 112.91 114.19 2j5i h THR 47 Ca 0.12 -1.55 -0.07 0.00 0.77 0.00 0.00 66.41 65.67 2j5i h THR 47 Cb 0.48 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 2j5i h THR 47 CO 0.03 0.44 -0.36 -0.07 0.37 0.00 0.00 175.52 175.93 2j5i h LEU 48 N -0.15 0.00 -1.18 2.58 3.38 -1.12 -2.61 115.31 116.21 2j5i h LEU 48 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2j5i h LEU 48 Cb 0.83 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2j5i h LEU 48 CO 0.05 0.36 0.36 -0.08 0.09 0.00 0.00 178.44 179.21 2j5i h GLU 49 N 0.00 0.92 -0.09 1.13 4.81 -1.36 -2.65 114.58 117.34 2j5i h GLU 49 Ca -0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2j5i h GLU 49 Cb 0.83 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2j5i h GLU 49 CO 0.05 0.68 0.00 1.04 -0.73 0.00 0.00 179.01 180.05 2j5i n GLN 50 N -4.37 1.99 -3.24 1.92 1.13 -1.01 -4.83 117.38 108.98 2j5i n GLN 50 Ca 0.06 -1.46 -0.44 0.00 -1.94 0.00 0.00 57.00 53.23 2j5i n GLN 50 Cb 0.10 -1.46 -0.07 0.00 0.11 0.00 0.00 30.24 28.92 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 -1.87 6.20 0.66 1.08 3.68 -1.00 -4.94 116.67 120.48 2j5i s ASP 51 Ca 0.34 -1.00 0.41 0.00 2.13 0.00 0.00 52.55 54.44 2j5i s ASP 51 Cb 0.20 -2.25 2.29 0.00 -1.45 0.00 0.00 42.92 41.71 2j5i s ASP 51 CO 0.31 -0.79 2.33 1.55 0.13 0.00 0.00 175.17 178.70 2j5i h PRO 52 N 8.90 0.00 0.00 4.34 0.13 -1.88 -0.59 132.00 142.90 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 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2j5i h PRO 52 CO 0.92 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.69 2j5i h ALA 53 N 1.96 1.00 -2.82 -0.56 0.00 -1.93 -3.41 119.26 113.50 2j5i h ALA 53 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2j5i h ALA 53 Cb 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.63 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 -3.40 3.39 -0.12 0.00 0.00 -0.23 -3.97 121.76 117.42 2j5i s ALA 54 Ca 0.04 -1.33 0.12 0.00 0.00 0.00 0.00 51.96 50.80 2j5i s ALA 54 Cb 0.09 -2.48 -0.17 0.00 0.00 0.00 0.00 23.12 20.56 2j5i s ALA 54 CO 0.53 -0.85 0.07 0.41 0.00 0.00 0.00 175.76 175.92 2j5i n GLY 55 N 5.03 -0.67 2.93 0.00 0.00 0.35 -4.89 105.19 107.94 2j5i n GLY 55 Ca -0.14 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2j5i n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j5i s VAL 56 N -2.39 0.01 -0.12 1.61 1.01 -1.01 -4.22 120.40 115.28 2j5i s VAL 56 Ca -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2j5i s VAL 56 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.29 2j5i s VAL 56 CO 0.56 -0.06 -0.02 -0.76 0.00 0.00 0.00 175.10 174.82 2j5i s LEU 57 N -0.16 3.38 -0.24 3.92 1.02 -0.18 -0.57 118.68 125.86 2j5i s LEU 57 Ca -0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.11 2j5i s LEU 57 Cb -0.01 -1.79 0.03 0.00 0.02 0.00 0.00 46.19 44.43 2j5i s LEU 57 CO 0.00 0.26 -0.09 -0.69 0.02 0.00 0.00 176.35 175.85 2j5i s VAL 58 N -0.19 2.68 -0.28 -1.59 1.01 -0.12 -0.61 120.40 121.31 2j5i s VAL 58 Ca 0.04 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 2j5i s VAL 58 Cb -0.13 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2j5i s VAL 58 CO 0.02 0.24 0.42 -0.22 0.00 0.00 0.00 175.10 175.56 2j5i s LEU 59 N 1.30 4.09 0.25 3.92 2.96 0.04 -0.02 118.68 131.22 2j5i s LEU 59 Ca 0.00 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2j5i s LEU 59 Cb -0.16 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 2j5i s LEU 59 CO -0.06 -0.25 0.26 0.28 -1.32 0.00 0.00 176.35 175.26 2j5i s THR 60 N 2.16 0.00 0.09 3.68 -1.32 -0.08 -0.92 115.64 119.24 2j5i s THR 60 Ca 0.17 -1.86 0.10 0.00 -1.21 0.00 0.00 61.69 58.89 2j5i s THR 60 Cb -0.16 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 2j5i s THR 60 CO 0.10 0.00 -0.26 -0.83 -2.21 0.00 0.00 174.62 171.42 2j5i s GLY 61 N -3.19 1.51 0.37 6.08 0.00 -1.26 -1.34 107.32 109.49 2j5i s GLY 61 Ca 0.36 -1.38 -0.26 0.00 0.00 0.00 0.00 44.72 43.44 2j5i s GLY 61 CO 0.16 -1.32 1.09 0.00 0.00 0.00 0.00 173.10 173.03 2j5i s ALA 62 N -0.95 3.18 0.00 3.20 0.00 -0.02 -4.82 121.76 122.36 2j5i s ALA 62 Ca 0.13 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2j5i s ALA 62 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2j5i s ALA 62 CO 0.04 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2j5i n GLY 63 N 0.64 0.04 0.22 0.00 0.00 -1.26 -4.04 105.19 100.79 2j5i n GLY 63 Ca 0.03 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 0.71 -6.72 1.61 5.08 -1.90 -3.46 114.58 109.90 2j5i h GLU 64 Ca 0.00 -0.24 -0.50 0.00 -1.00 0.00 0.00 59.36 57.62 2j5i h GLU 64 Cb 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2j5i h GLU 64 CO 0.00 0.82 0.03 0.00 -1.00 0.00 0.00 179.01 178.86 2j5i s ALA 65 N -4.95 3.44 0.00 3.43 0.00 -1.26 -3.61 121.76 118.82 2j5i s ALA 65 Ca -0.13 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2j5i s ALA 65 Cb 0.10 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2j5i s ALA 65 CO 0.80 0.08 0.00 1.87 0.00 0.00 0.00 175.76 178.51 2j5i n TRP 66 N -1.17 0.00 -3.72 0.00 -0.00 0.31 -4.14 117.44 108.72 2j5i n TRP 66 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.39 2j5i n TRP 66 Cb 0.54 -0.39 -0.10 0.00 -0.00 0.00 0.00 31.31 31.36 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 -0.82 -0.01 -1.72 5.87 -1.32 -0.60 -4.28 115.64 112.76 2j5i s THR 67 Ca 0.00 0.03 0.30 0.00 -1.21 0.00 0.00 61.69 60.81 2j5i s THR 67 Cb 0.00 -0.59 0.70 0.00 -1.51 0.00 0.00 72.50 71.09 2j5i s THR 67 CO 0.00 0.01 2.09 0.00 -2.21 0.00 0.00 174.62 174.51 2j5i n ALA 68 N 3.34 2.54 0.00 11.08 0.00 -0.24 -1.46 120.51 135.78 2j5i n ALA 68 Ca -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2j5i n ALA 68 Cb 0.56 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.05 -0.25 3.77 0.00 0.00 -1.21 -4.36 105.19 104.20 2j5i n GLY 69 Ca 0.19 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 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 3.93 -1.13 1.61 -1.94 -1.26 -0.51 119.30 120.00 2j5i s MET 70 Ca 0.00 2.16 -0.19 0.00 -1.71 0.00 0.00 55.69 55.94 2j5i s MET 70 Cb 0.00 -2.73 0.09 0.00 2.01 0.00 0.00 34.83 34.20 2j5i s MET 70 CO 0.00 -0.52 1.50 0.34 -0.01 0.00 0.00 175.02 176.32 2j5i s ASP 71 N -0.75 6.71 0.23 3.03 -1.08 -0.43 -4.63 116.67 119.75 2j5i s ASP 71 Ca 0.58 -2.09 -0.05 0.00 -0.52 0.00 0.00 52.55 50.46 2j5i s ASP 71 Cb -0.38 -2.52 0.22 0.00 -1.46 0.00 0.00 42.92 38.77 2j5i s ASP 71 CO 0.49 -1.22 1.73 -0.07 0.52 0.00 0.00 175.17 176.61 2j5i h LEU 72 N 11.94 0.93 -0.28 -1.34 -0.00 -1.91 -1.09 115.31 123.56 2j5i h LEU 72 Ca 0.29 -0.22 0.06 0.00 -0.00 0.00 0.00 57.88 58.02 2j5i h LEU 72 Cb 0.95 -0.25 -0.08 0.00 -0.00 0.00 0.00 40.66 41.28 2j5i h LEU 72 CO 1.37 0.94 -0.38 0.50 -0.00 0.00 0.00 178.44 180.87 2j5i h LYS 73 N 0.91 -0.35 -0.42 1.13 1.63 -2.00 0.11 116.57 117.58 2j5i h LYS 73 Ca 0.18 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.86 2j5i h LYS 73 Cb 0.43 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2j5i h LYS 73 CO 0.01 -0.24 -0.31 1.49 -3.45 0.00 0.00 179.45 176.96 2j5i h GLU 74 N -0.37 0.95 -0.07 1.90 4.57 -1.90 -1.39 114.58 118.27 2j5i h GLU 74 Ca 0.12 -0.45 0.02 0.00 -1.18 0.00 0.00 59.36 57.87 2j5i h GLU 74 Cb 0.58 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 2j5i h GLU 74 CO -0.48 1.12 -0.07 -0.92 -1.18 0.00 0.00 179.01 177.48 2j5i h TYR 75 N 0.80 -0.16 -0.43 0.92 5.03 -0.97 -1.80 116.97 120.35 2j5i h TYR 75 Ca 0.08 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.30 2j5i h TYR 75 Cb 0.89 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.24 2j5i h TYR 75 CO 0.06 -0.11 -0.17 0.74 -1.32 0.00 0.00 178.16 177.36 2j5i h PHE 76 N -0.09 0.91 -0.26 -3.82 0.05 -0.56 -0.69 116.94 112.48 2j5i h PHE 76 Ca 0.05 -0.19 0.05 0.00 3.82 0.00 0.00 57.97 61.71 2j5i h PHE 76 Cb 0.16 -0.22 -0.05 0.00 2.00 0.00 0.00 35.95 37.84 2j5i h PHE 76 CO -0.17 0.92 -0.07 -0.09 -0.18 0.00 0.00 178.31 178.72 2j5i h ARG 77 N 0.72 -0.01 -0.29 1.51 2.43 -1.09 0.26 114.38 117.92 2j5i h ARG 77 Ca 0.11 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 2j5i h ARG 77 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2j5i h ARG 77 CO 0.05 -0.00 -0.21 0.93 -1.51 0.00 0.00 179.97 179.22 2j5i h GLU 78 N -0.01 0.65 -0.40 0.20 5.08 -1.09 -1.54 114.58 117.48 2j5i h GLU 78 Ca 0.13 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 2j5i h GLU 78 Cb 0.20 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2j5i h GLU 78 CO -0.28 0.91 -0.12 0.28 -1.00 0.00 0.00 179.01 178.81 2j5i h VAL 79 N 0.39 1.25 -0.56 3.13 2.07 -1.00 0.65 116.25 122.18 2j5i h VAL 79 Ca 0.05 -1.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 2j5i h VAL 79 Cb 0.76 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2j5i h VAL 79 CO 0.06 0.38 -0.08 0.44 0.02 0.00 0.00 177.57 178.39 2j5i h ASP 80 N 0.64 1.04 0.97 0.57 3.32 -0.41 -3.26 116.42 119.30 2j5i h ASP 80 Ca 0.11 -0.34 -0.19 0.00 0.02 0.00 0.00 57.03 56.64 2j5i h ASP 80 Cb 0.57 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 2j5i h ASP 80 CO 0.04 1.13 -1.10 0.00 -1.72 0.00 0.00 179.24 177.60 2j5i h ALA 81 N 0.94 0.59 -4.67 3.45 0.00 -1.01 -3.47 119.26 115.10 2j5i h ALA 81 Ca 0.15 -0.87 -0.42 0.00 0.00 0.00 0.00 54.91 53.77 2j5i h ALA 81 Cb 0.65 0.09 0.12 0.00 0.00 0.00 0.00 17.79 18.65 2j5i h ALA 81 CO 0.04 1.06 0.24 0.41 0.00 0.00 0.00 179.25 181.00 2j5i n GLY 82 N 1.36 -0.35 3.75 0.00 0.00 0.20 -5.06 105.19 105.09 2j5i n GLY 82 Ca -0.05 -1.88 -0.30 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 -5.29 1.46 0.25 1.61 0.04 -1.26 -4.91 135.00 126.89 2j5i s PRO 83 Ca 0.66 0.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.35 2j5i s PRO 83 Cb -0.03 -1.84 0.49 0.00 0.04 0.00 0.00 34.50 33.16 2j5i s PRO 83 CO 0.45 -2.07 1.73 1.49 0.04 0.00 0.00 177.00 178.64 2j5i h GLU 84 N -1.42 0.43 0.00 4.56 4.22 -1.97 -1.52 114.58 118.88 2j5i h GLU 84 Ca -0.49 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2j5i h GLU 84 Cb 1.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2j5i h GLU 84 CO 0.57 0.28 0.00 1.51 -2.18 0.00 0.00 179.01 179.19 2j5i n ILE 85 N -5.01 0.87 0.17 2.32 3.06 -1.26 -2.31 119.36 117.20 2j5i n ILE 85 Ca 0.15 0.21 0.03 0.00 -2.50 0.00 0.00 62.75 60.64 2j5i n ILE 85 Cb 0.44 -0.98 0.38 0.00 0.54 0.00 0.00 39.64 40.02 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 0.07 -1.21 9.51 5.85 -1.62 -2.58 115.31 125.33 2j5i h LEU 86 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2j5i h LEU 86 Cb 0.31 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2j5i h LEU 86 CO 0.00 0.36 0.44 -0.61 -0.34 0.00 0.00 178.44 178.29 2j5i h GLN 87 N 0.07 0.98 -0.31 1.25 4.15 -1.63 -0.98 115.11 118.64 2j5i h GLN 87 Ca 0.01 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.39 2j5i h GLN 87 Cb 0.54 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 2j5i h GLN 87 CO 0.04 0.68 0.06 0.93 -1.93 0.00 0.00 178.83 178.61 2j5i h GLU 88 N 1.00 0.16 -0.23 1.69 4.39 -1.65 -1.47 114.58 118.48 2j5i h GLU 88 Ca 0.26 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 2j5i h GLU 88 Cb -0.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2j5i h GLU 88 CO -0.05 0.11 0.06 -0.22 -1.16 0.00 0.00 179.01 177.75 2j5i h LYS 89 N 0.17 0.35 -0.57 2.33 3.64 -1.36 -0.70 116.57 120.43 2j5i h LYS 89 Ca 0.14 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2j5i h LYS 89 Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2j5i h LYS 89 CO -0.19 0.45 0.20 0.82 -2.27 0.00 0.00 179.45 178.46 2j5i h ILE 90 N 0.19 1.23 -0.43 2.00 2.04 -1.05 -0.32 117.51 121.18 2j5i h ILE 90 Ca 0.07 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2j5i h ILE 90 Cb 0.25 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2j5i h ILE 90 CO -0.00 0.28 0.17 0.03 0.00 0.00 0.00 178.15 178.63 2j5i h ARG 91 N 0.78 0.65 -0.82 2.37 3.08 -1.20 -1.45 114.38 117.79 2j5i h ARG 91 Ca 0.19 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2j5i h ARG 91 Cb 0.24 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2j5i h ARG 91 CO -0.01 0.60 0.54 -0.09 -1.07 0.00 0.00 179.97 179.95 2j5i h ARG 92 N 0.56 1.08 -0.17 0.04 2.43 -0.78 -1.88 114.38 115.65 2j5i h ARG 92 Ca 0.14 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.08 2j5i h ARG 92 Cb 0.20 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2j5i h ARG 92 CO -0.01 0.71 -0.58 0.93 -1.51 0.00 0.00 179.97 179.51 2j5i h GLU 93 N 1.11 0.54 0.17 0.20 5.08 -0.85 0.86 114.58 121.69 2j5i h GLU 93 Ca 0.30 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2j5i h GLU 93 Cb -0.12 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2j5i h GLU 93 CO -0.07 0.97 -0.08 0.00 -1.00 0.00 0.00 179.01 178.83 2j5i h ALA 94 N 0.96 -0.22 -0.60 3.43 0.00 -1.00 -2.84 119.26 118.98 2j5i h ALA 94 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2j5i h ALA 94 Cb 1.13 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2j5i h ALA 94 CO 0.11 -0.58 0.31 0.77 0.00 0.00 0.00 179.25 179.86 2j5i h SER 95 N -0.31 0.75 -0.33 0.00 0.02 -1.27 -1.86 113.55 110.55 2j5i h SER 95 Ca -0.02 -0.06 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 2j5i h SER 95 Cb 0.24 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 2j5i h SER 95 CO 0.04 0.62 0.01 -0.61 -1.14 0.00 0.00 176.83 175.75 2j5i h GLN 96 N 0.84 0.11 0.05 3.45 5.75 -0.57 -0.21 115.11 124.52 2j5i h GLN 96 Ca 0.21 -0.01 -0.30 0.00 -0.15 0.00 0.00 58.65 58.41 2j5i h GLN 96 Cb 0.05 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2j5i h GLN 96 CO -0.03 0.07 -1.64 0.11 -2.65 0.00 0.00 178.83 174.69 2j5i h TRP 97 N 0.11 0.18 0.00 3.99 5.08 -1.49 0.34 115.95 124.15 2j5i h TRP 97 Ca 0.16 -0.13 -0.08 0.00 1.08 0.00 0.00 58.89 59.92 2j5i h TRP 97 Cb 0.21 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.35 2j5i h TRP 97 CO -0.23 1.22 -0.39 1.96 -1.28 0.00 0.00 178.44 179.72 2j5i h GLN 98 N 0.03 0.00 0.00 0.12 4.20 -1.17 -3.33 115.11 114.96 2j5i h GLN 98 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 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 0.10 0.39 0.00 -2.67 -0.67 0.00 0.00 178.83 175.98 2j5i n TRP 99 N -4.05 0.00 -0.13 2.96 4.27 -0.89 -3.49 117.44 116.10 2j5i n TRP 99 Ca -0.02 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.50 2j5i n TRP 99 Cb 0.42 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.37 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 0.19 -2.67 1.57 -1.08 -0.72 116.57 114.45 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 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.23 2j5i h LYS 100 CO 0.00 0.57 -1.43 -0.07 -0.57 0.00 0.00 179.45 177.95 2j5i h LEU 101 N 0.49 0.62 0.20 2.94 3.38 -1.15 -3.42 115.31 118.38 2j5i h LEU 101 Ca 0.13 -0.70 -0.31 0.00 0.09 0.00 0.00 57.88 57.09 2j5i h LEU 101 Cb 0.20 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.78 2j5i h LEU 101 CO -0.01 1.56 -1.33 0.25 0.09 0.00 0.00 178.44 179.00 2j5i h LEU 102 N 0.11 0.82 -0.59 1.67 5.85 -1.64 -2.86 115.31 118.68 2j5i h LEU 102 Ca -0.22 -0.89 -0.08 0.00 0.84 0.00 0.00 57.88 57.53 2j5i h LEU 102 Cb 2.08 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 2j5i h LEU 102 CO 0.23 1.65 0.07 -0.09 -0.34 0.00 0.00 178.44 179.95 2j5i h ARG 103 N 0.13 0.99 -1.12 1.25 2.43 -1.28 -2.47 114.38 114.30 2j5i h ARG 103 Ca -0.22 -0.28 -0.65 0.00 -0.81 0.00 0.00 59.98 58.01 2j5i h ARG 103 Cb 2.03 -0.11 -0.33 0.00 -0.42 0.00 0.00 29.97 31.14 2j5i h ARG 103 CO 0.25 0.95 0.35 -1.33 -1.51 0.00 0.00 179.97 178.68 2j5i n MET 104 N -4.29 2.99 -2.12 0.20 2.81 -1.25 -4.89 117.12 110.57 2j5i n MET 104 Ca 0.03 -3.64 -0.38 0.00 -1.81 0.00 0.00 57.70 51.90 2j5i n MET 104 Cb 0.29 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.52 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 -3.79 2.74 0.27 2.03 6.04 -0.93 -4.92 117.35 118.80 2j5i s TYR 105 Ca 0.58 1.48 0.22 0.00 0.04 0.00 0.00 57.07 59.40 2j5i s TYR 105 Cb 0.47 -3.52 1.02 0.00 -1.04 0.00 0.00 41.96 38.88 2j5i s TYR 105 CO -0.07 -1.90 1.89 0.00 -1.54 0.00 0.00 175.55 173.93 2j5i h ALA 106 N 2.02 1.16 -2.59 3.97 0.00 -1.91 -3.43 119.26 118.47 2j5i h ALA 106 Ca -0.50 -0.22 -0.56 0.00 0.00 0.00 0.00 54.91 53.63 2j5i h ALA 106 Cb 1.26 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2j5i h ALA 106 CO 0.60 0.31 -0.58 0.15 0.00 0.00 0.00 179.25 179.73 2j5i s LYS 107 N -3.90 2.77 0.49 0.00 1.02 -1.26 -4.65 119.74 114.20 2j5i s LYS 107 Ca -0.01 -0.99 -0.23 0.00 0.02 0.00 0.00 55.97 54.75 2j5i s LYS 107 Cb 0.12 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 2j5i s LYS 107 CO 0.64 0.45 1.30 -1.25 -0.92 0.00 0.00 175.35 175.58 2j5i s PRO 108 N -3.27 3.48 0.01 -1.68 0.04 -1.26 -4.87 135.00 127.44 2j5i s PRO 108 Ca 0.31 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.50 2j5i s PRO 108 Cb -0.09 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 2j5i s PRO 108 CO 0.23 -0.88 -0.13 0.95 0.04 0.00 0.00 177.00 177.21 2j5i s THR 109 N -1.36 1.01 -0.05 1.26 -4.23 -1.26 -1.01 115.64 110.01 2j5i s THR 109 Ca 0.66 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 2j5i s THR 109 Cb -0.37 -0.87 0.02 0.00 1.34 0.00 0.00 72.50 72.62 2j5i s THR 109 CO 0.45 0.19 -0.07 -0.63 -0.54 0.00 0.00 174.62 174.02 2j5i s ILE 110 N -0.47 0.75 -0.15 2.99 1.01 0.22 -1.96 121.20 123.59 2j5i s ILE 110 Ca 0.04 -0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.20 2j5i s ILE 110 Cb -0.06 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 2j5i s ILE 110 CO 0.00 0.27 0.75 0.00 0.00 0.00 0.00 174.94 175.96 2j5i s ALA 111 N 0.86 3.47 -0.50 9.38 0.00 0.27 -0.78 121.76 134.45 2j5i s ALA 111 Ca -0.12 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 2j5i s ALA 111 Cb -0.15 -3.10 0.13 0.00 0.00 0.00 0.00 23.12 20.01 2j5i s ALA 111 CO 0.01 -0.47 0.36 1.41 0.00 0.00 0.00 175.76 177.06 2j5i s MET 112 N 1.71 2.46 -0.67 0.00 1.75 -0.10 -0.60 119.30 123.84 2j5i s MET 112 Ca 0.36 -1.93 -0.19 0.00 -1.25 0.00 0.00 55.69 52.67 2j5i s MET 112 Cb -0.17 -3.86 0.11 0.00 2.84 0.00 0.00 34.83 33.75 2j5i s MET 112 CO 0.14 -1.17 0.83 0.08 -0.65 0.00 0.00 175.02 174.24 2j5i s VAL 113 N 1.03 4.74 -0.71 10.11 1.01 0.52 -4.42 120.40 132.69 2j5i s VAL 113 Ca 0.09 -1.02 0.24 0.00 0.00 0.00 0.00 61.98 61.29 2j5i s VAL 113 Cb -0.24 -4.58 0.05 0.00 0.00 0.00 0.00 36.38 31.61 2j5i s VAL 113 CO -0.02 -1.25 1.35 -0.46 0.00 0.00 0.00 175.10 174.71 2j5i n ASN 114 N 6.54 0.65 0.00 3.32 6.94 -1.26 -1.30 115.26 130.15 2j5i n ASN 114 Ca -0.02 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 2j5i n ASN 114 Cb 0.44 0.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 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 1.37 1.96 3.47 4.83 0.00 -1.24 -4.65 105.19 110.93 2j5i n GLY 115 Ca 0.04 -0.30 -0.60 0.00 0.00 0.00 0.00 46.02 45.15 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 1.05 -3.73 1.61 7.02 -1.25 -3.75 117.44 118.38 2j5i n TRP 116 Ca 0.00 1.06 -0.29 0.00 -1.02 0.00 0.00 57.50 57.24 2j5i n TRP 116 Cb 0.00 -2.07 -0.16 0.00 -2.42 0.00 0.00 31.31 26.67 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 1.72 1.68 0.00 0.00 0.40 -0.53 -2.48 117.98 118.77 2j5i s PHE 118 Ca 0.05 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 2j5i s PHE 118 Cb -0.17 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.46 2j5i s PHE 118 CO -0.19 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.35 2j5i n GLY 119 N 0.89 3.17 0.33 4.36 0.00 -0.54 -1.48 105.19 111.92 2j5i n GLY 119 Ca -0.18 0.27 0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 0.56 -0.02 0.00 -1.89 -0.81 103.07 100.91 2j5i h GLY 120 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.53 2j5i h GLY 120 CO 0.00 0.00 0.52 -1.33 0.00 0.00 0.00 176.54 175.73 2j5i h GLY 121 N 0.00 0.17 1.91 4.60 0.00 -1.55 -2.81 103.07 105.39 2j5i h GLY 121 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2j5i h GLY 121 CO -0.00 0.01 -0.06 0.74 0.00 0.00 0.00 176.54 177.23 2j5i h PHE 122 N 0.09 0.12 0.76 5.60 -1.00 -1.34 -2.29 116.94 118.88 2j5i h PHE 122 Ca 0.36 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.09 2j5i h PHE 122 Cb 1.28 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 40.81 2j5i h PHE 122 CO -0.00 0.18 -0.36 0.77 -1.61 0.00 0.00 178.31 177.29 2j5i h SER 123 N 0.12 -0.86 0.20 2.17 0.02 -1.73 -2.15 113.55 111.32 2j5i h SER 123 Ca 0.03 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2j5i h SER 123 Cb 0.18 0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2j5i h SER 123 CO 0.01 -0.55 -0.10 1.55 -1.14 0.00 0.00 176.83 176.60 2j5i h PRO 124 N -1.14 0.00 -0.83 3.45 0.13 -1.58 0.08 132.00 132.10 2j5i h PRO 124 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2j5i h PRO 124 Cb 0.80 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 2j5i h PRO 124 CO 0.17 0.10 0.51 1.25 -0.23 0.00 0.00 178.00 179.80 2j5i h LEU 125 N 0.00 0.99 0.00 1.56 5.85 -1.23 -1.01 115.31 121.47 2j5i h LEU 125 Ca -0.00 -0.06 -0.24 0.00 0.84 0.00 0.00 57.88 58.42 2j5i h LEU 125 Cb 0.23 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2j5i h LEU 125 CO 0.01 0.76 -1.48 0.58 -0.34 0.00 0.00 178.44 177.97 2j5i h VAL 126 N 1.14 0.89 -0.66 1.05 2.07 -0.99 -3.22 116.25 116.52 2j5i h VAL 126 Ca 0.30 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.19 2j5i h VAL 126 Cb -0.06 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2j5i h VAL 126 CO -0.06 0.51 0.36 0.00 0.02 0.00 0.00 177.57 178.40 2j5i h ALA 127 N 1.12 1.38 -2.78 1.67 0.00 -0.84 -3.42 119.26 116.39 2j5i h ALA 127 Ca -0.20 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 2j5i h ALA 127 Cb 1.85 -0.27 0.11 0.00 0.00 0.00 0.00 17.79 19.48 2j5i h ALA 127 CO 0.08 0.51 0.65 0.00 0.00 0.00 0.00 179.25 180.49 2j5i h ASP 129 N 2.66 -0.40 -2.03 0.00 3.45 -1.69 -3.45 116.42 114.97 2j5i h ASP 129 Ca -0.49 -0.01 -0.60 0.00 0.43 0.00 0.00 57.03 56.36 2j5i h ASP 129 Cb 1.26 0.10 -0.13 0.00 -0.56 0.00 0.00 39.33 40.00 2j5i h ASP 129 CO 0.63 -0.26 -0.65 -0.76 -1.57 0.00 0.00 179.24 176.63 2j5i s LEU 130 N -10.05 2.72 -0.19 1.55 1.43 -0.83 -5.04 118.68 108.27 2j5i s LEU 130 Ca -0.15 -1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 51.54 2j5i s LEU 130 Cb 0.04 -0.90 0.06 0.00 0.03 0.00 0.00 46.19 45.42 2j5i s LEU 130 CO 0.63 -0.32 0.49 0.00 0.23 0.00 0.00 176.35 177.38 2j5i s ALA 131 N -2.72 -1.24 -0.05 4.21 0.00 -1.26 -0.56 121.76 120.14 2j5i s ALA 131 Ca 0.33 1.56 0.05 0.00 0.00 0.00 0.00 51.96 53.90 2j5i s ALA 131 Cb 0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 2j5i s ALA 131 CO 0.16 -0.26 -0.19 0.42 0.00 0.00 0.00 175.76 175.90 2j5i s ILE 132 N 0.81 1.55 0.26 0.00 -1.09 0.23 -0.79 121.20 122.17 2j5i s ILE 132 Ca -0.04 -0.79 0.09 0.00 -2.23 0.00 0.00 60.65 57.68 2j5i s ILE 132 Cb -0.05 -1.33 -0.05 0.00 -1.58 0.00 0.00 42.46 39.45 2j5i s ILE 132 CO -0.06 0.44 -0.14 0.00 -1.23 0.00 0.00 174.94 173.95 2j5i s ALA 134 N -2.78 3.40 0.39 0.00 0.00 -0.42 -1.64 121.76 120.71 2j5i s ALA 134 Ca 0.27 0.89 0.17 0.00 0.00 0.00 0.00 51.96 53.29 2j5i s ALA 134 Cb -0.01 -3.33 1.07 0.00 0.00 0.00 0.00 23.12 20.84 2j5i s ALA 134 CO 0.11 -0.17 1.79 -0.44 0.00 0.00 0.00 175.76 177.05 2j5i h ASP 135 N 4.05 0.47 1.25 0.00 3.32 -0.93 -1.24 116.42 123.33 2j5i h ASP 135 Ca -0.46 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2j5i h ASP 135 Cb 1.21 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2j5i h ASP 135 CO 0.68 0.12 0.00 -0.62 -1.72 0.00 0.00 179.24 177.70 2j5i n GLU 136 N -4.62 0.19 -1.83 3.56 4.71 -1.26 -2.98 120.64 118.42 2j5i n GLU 136 Ca 0.24 0.20 -0.37 0.00 -0.01 0.00 0.00 57.16 57.21 2j5i n GLU 136 Cb 0.82 -1.74 0.05 0.00 -1.01 0.00 0.00 31.44 29.56 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 -3.10 2.60 -0.06 0.62 0.00 -0.47 -4.88 121.76 116.47 2j5i s ALA 137 Ca 0.10 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.34 2j5i s ALA 137 Cb 0.13 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2j5i s ALA 137 CO 0.54 -1.40 -0.24 0.99 0.00 0.00 0.00 175.76 175.66 2j5i s THR 138 N -1.39 1.98 0.13 0.00 2.01 -1.26 -2.35 115.64 114.76 2j5i s THR 138 Ca 0.77 -1.02 0.11 0.00 0.31 0.00 0.00 61.69 61.85 2j5i s THR 138 Cb -0.37 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2j5i s THR 138 CO 0.42 0.55 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.29 2j5i s PHE 139 N -0.08 2.35 -0.16 4.92 0.40 0.78 -1.36 117.98 124.84 2j5i s PHE 139 Ca -0.06 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 2j5i s PHE 139 Cb -0.14 -1.26 0.13 0.00 0.51 0.00 0.00 43.02 42.26 2j5i s PHE 139 CO 0.04 0.36 1.01 0.20 0.70 0.00 0.00 175.22 177.54 2j5i s GLY 140 N -2.13 -0.26 -0.85 4.36 0.00 -1.03 -0.95 107.32 106.44 2j5i s GLY 140 Ca 0.15 1.99 0.01 0.00 0.00 0.00 0.00 44.72 46.87 2j5i s GLY 140 CO 0.07 0.97 1.14 1.04 0.00 0.00 0.00 173.10 176.33 2j5i n LEU 141 N 0.63 5.19 -0.80 0.66 4.77 -1.26 -1.46 117.00 124.73 2j5i n LEU 141 Ca -0.09 -5.35 0.07 0.00 -0.03 0.00 0.00 56.01 50.60 2j5i n LEU 141 Cb 0.58 -0.96 0.20 0.00 -2.33 0.00 0.00 43.42 40.92 2j5i n LEU 141 CO 0.15 1.91 0.67 -1.54 -1.33 0.00 0.00 177.39 177.25 2j5i n SER 142 N 0.95 2.31 -0.27 -1.43 3.41 -1.26 -3.93 113.62 113.41 2j5i n SER 142 Ca 0.29 -1.98 -0.05 0.00 -0.26 0.00 0.00 58.87 56.87 2j5i n SER 142 Cb 0.37 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2j5i n SER 142 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2j5i n GLU 143 N 0.76 -0.24 -0.15 4.33 4.71 -1.26 -1.45 120.64 127.34 2j5i n GLU 143 Ca 0.15 0.99 0.12 0.00 -0.01 0.00 0.00 57.16 58.41 2j5i n GLU 143 Cb 0.37 -1.46 0.46 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 0.88 0.00 -3.67 6.09 -1.56 0.11 117.51 119.36 2j5i h ILE 144 Ca 0.15 -0.18 -0.05 0.00 -1.37 0.00 0.00 64.86 63.42 2j5i h ILE 144 Cb 0.31 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 37.91 2j5i h ILE 144 CO -0.63 0.09 -0.22 0.78 -3.07 0.00 0.00 178.15 175.11 2j5i h ASN 145 N 0.52 0.00 0.16 2.19 2.35 -1.55 -2.41 115.58 116.84 2j5i h ASN 145 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 2j5i h ASN 145 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2j5i h ASN 145 CO -0.11 0.22 -0.11 0.79 -1.65 0.00 0.00 177.43 176.56 2j5i n TRP 146 N -3.62 0.00 -1.58 1.19 5.03 0.32 -4.94 117.44 113.85 2j5i n TRP 146 Ca -0.01 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.52 2j5i n TRP 146 Cb 0.35 -0.08 0.00 0.00 -1.03 0.00 0.00 31.31 30.55 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 1.24 0.77 3.06 6.99 0.00 -0.91 -5.09 105.19 111.26 2j5i n GLY 147 Ca 0.16 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.08 1.28 0.81 -0.61 1.01 -0.91 -5.00 121.20 115.70 2j5i s ILE 148 Ca 0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 59.96 2j5i s ILE 148 Cb 0.00 -1.15 0.08 0.00 0.01 0.00 0.00 42.46 41.40 2j5i s ILE 148 CO 0.00 0.39 1.11 -2.16 0.00 0.00 0.00 174.94 174.28 2j5i s PRO 149 N 0.53 1.98 0.11 2.79 0.04 -1.26 -2.20 135.00 136.99 2j5i s PRO 149 Ca -0.13 0.51 -0.32 0.00 0.04 0.00 0.00 61.00 61.09 2j5i s PRO 149 Cb -0.15 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 2j5i s PRO 149 CO 0.04 -1.66 1.78 -2.30 0.04 0.00 0.00 177.00 174.90 2j5i n PRO 150 N -3.44 2.58 -2.92 0.56 -0.02 -1.26 -4.90 135.00 125.61 2j5i n PRO 150 Ca 0.07 0.94 -0.19 0.00 -2.02 0.00 0.00 63.50 62.30 2j5i n PRO 150 Cb 0.57 -2.80 0.02 0.00 -0.02 0.00 0.00 33.50 31.28 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 2.41 1.85 0.00 -1.23 0.00 -1.26 -4.73 107.32 104.36 2j5i s GLY 151 Ca 0.82 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2j5i s GLY 151 CO 0.39 -1.28 0.00 -2.01 0.00 0.00 0.00 173.10 170.20 2j5i n ASN 152 N -2.02 0.00 -1.15 1.64 2.85 -1.26 -2.75 115.26 112.56 2j5i n ASN 152 Ca 0.07 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.61 2j5i n ASN 152 Cb 0.59 0.00 0.25 0.00 1.24 0.00 0.00 39.78 41.86 2j5i n ASN 152 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2j5i n LEU 153 N 0.00 3.35 -0.17 1.20 7.99 -1.26 -4.56 117.00 123.56 2j5i n LEU 153 Ca 0.00 -1.69 -0.02 0.00 -0.01 0.00 0.00 56.01 54.29 2j5i n LEU 153 Cb 0.00 -0.46 0.07 0.00 -0.11 0.00 0.00 43.42 42.92 2j5i n LEU 153 CO 0.00 0.61 0.93 0.58 -1.51 0.00 0.00 177.39 178.00 2j5i h VAL 154 N 2.87 0.75 -0.46 4.08 2.07 -1.83 -0.47 116.25 123.27 2j5i h VAL 154 Ca 0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 2j5i h VAL 154 Cb 1.03 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2j5i h VAL 154 CO 0.14 0.05 0.11 0.28 0.02 0.00 0.00 177.57 178.17 2j5i h SER 155 N 0.29 0.63 0.05 0.57 0.02 -1.83 -2.15 113.55 111.13 2j5i h SER 155 Ca 0.26 -0.10 -0.21 0.00 -0.84 0.00 0.00 61.79 60.90 2j5i h SER 155 Cb 0.33 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2j5i h SER 155 CO -0.30 0.63 -0.76 0.50 -1.14 0.00 0.00 176.83 175.75 2j5i h LYS 156 N 0.67 0.61 -0.51 3.45 1.63 -1.63 -0.46 116.57 120.33 2j5i h LYS 156 Ca 0.15 -0.50 0.04 0.00 -0.85 0.00 0.00 60.65 59.49 2j5i h LYS 156 Cb 0.25 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.95 2j5i h LYS 156 CO -0.00 1.12 0.27 0.00 -3.45 0.00 0.00 179.45 177.39 2j5i h ALA 157 N 0.73 0.65 -0.01 5.00 0.00 -0.79 0.81 119.26 125.65 2j5i h ALA 157 Ca -0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2j5i h ALA 157 Cb 1.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2j5i h ALA 157 CO 0.15 -0.07 -0.02 0.52 0.00 0.00 0.00 179.25 179.82 2j5i h MET 158 N 0.52 -0.03 -0.73 0.00 2.86 -1.32 -2.91 114.93 113.32 2j5i h MET 158 Ca 0.22 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2j5i h MET 158 Cb 0.11 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 2j5i h MET 158 CO -0.14 -0.02 0.48 0.00 1.06 0.00 0.00 176.91 178.29 2j5i h ALA 159 N 0.97 1.52 0.00 6.32 0.00 -0.53 0.21 119.26 127.75 2j5i h ALA 159 Ca 0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2j5i h ALA 159 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2j5i h ALA 159 CO -0.03 0.42 -0.39 -0.44 0.00 0.00 0.00 179.25 178.82 2j5i h ASP 160 N 0.94 0.00 0.00 0.00 5.19 -0.71 -3.38 116.42 118.46 2j5i h ASP 160 Ca 0.28 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 2j5i h ASP 160 Cb -0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 2j5i h ASP 160 CO -0.07 0.39 -1.03 0.35 -3.12 0.00 0.00 179.24 175.76 2j5i n THR 161 N -3.63 0.03 -4.28 0.35 -2.24 -0.74 -5.06 114.28 98.71 2j5i n THR 161 Ca -0.01 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 2j5i n THR 161 Cb 0.49 -0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.01 3.04 0.78 2.28 1.01 0.65 -4.17 120.40 121.98 2j5i s VAL 162 Ca -0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.41 2j5i s VAL 162 Cb 0.00 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 34.03 2j5i s VAL 162 CO 0.02 0.07 1.10 -0.83 0.00 0.00 0.00 175.10 175.46 2j5i s GLY 163 N -2.27 1.70 0.12 4.51 0.00 -1.26 -4.56 107.32 105.57 2j5i s GLY 163 Ca 0.20 0.32 -0.29 0.00 0.00 0.00 0.00 44.72 44.95 2j5i s GLY 163 CO 0.12 0.68 1.61 0.84 0.00 0.00 0.00 173.10 176.34 2j5i h HIS 164 N -1.17 -0.98 -0.12 1.90 2.76 -1.94 -0.05 115.15 115.56 2j5i h HIS 164 Ca -0.44 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.78 2j5i h HIS 164 Cb 1.24 0.42 -0.02 0.00 1.55 0.00 0.00 27.41 30.60 2j5i h HIS 164 CO 0.57 -0.45 0.02 0.00 -1.30 0.00 0.00 177.93 176.77 2j5i h ARG 165 N -0.54 0.06 -0.83 5.26 2.47 -2.00 -1.68 114.38 117.13 2j5i h ARG 165 Ca 0.05 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 2j5i h ARG 165 Cb 0.60 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.87 2j5i h ARG 165 CO -0.25 0.04 0.39 1.96 0.56 0.00 0.00 179.97 182.67 2j5i h GLN 166 N 0.06 1.19 -0.19 0.04 4.20 -1.88 -1.17 115.11 117.36 2j5i h GLN 166 Ca 0.05 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 2j5i h GLN 166 Cb 0.05 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2j5i h GLN 166 CO -0.07 0.92 0.11 0.77 -0.67 0.00 0.00 178.83 179.88 2j5i h SER 167 N 1.18 0.24 -0.63 1.46 0.02 -0.79 -2.05 113.55 112.97 2j5i h SER 167 Ca 0.28 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2j5i h SER 167 Cb 0.12 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2j5i h SER 167 CO -0.03 0.24 0.22 -0.07 -1.14 0.00 0.00 176.83 176.04 2j5i h LEU 168 N 0.21 0.92 -0.06 5.07 3.38 -1.10 -1.10 115.31 122.64 2j5i h LEU 168 Ca 0.07 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2j5i h LEU 168 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2j5i h LEU 168 CO -0.01 0.86 -0.05 0.22 0.09 0.00 0.00 178.44 179.54 2j5i h TYR 169 N 0.97 -0.12 -0.05 1.13 5.03 -0.91 0.52 116.97 123.53 2j5i h TYR 169 Ca 0.22 0.01 -0.18 0.00 2.58 0.00 0.00 58.73 61.35 2j5i h TYR 169 Cb 0.26 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 2j5i h TYR 169 CO 0.02 -0.08 -0.76 1.88 -1.32 0.00 0.00 178.16 177.90 2j5i h TYR 170 N -0.06 0.45 -0.47 -3.82 0.05 -1.18 -1.19 116.97 110.76 2j5i h TYR 170 Ca 0.04 -0.21 -0.12 0.00 0.05 0.00 0.00 58.73 58.50 2j5i h TYR 170 Cb 0.12 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2j5i h TYR 170 CO -0.15 0.96 -0.16 0.82 -1.05 0.00 0.00 178.16 178.58 2j5i h ILE 171 N 0.22 1.27 0.16 -2.88 2.04 -1.08 -1.68 117.51 115.56 2j5i h ILE 171 Ca -0.03 -1.31 -0.29 0.00 1.00 0.00 0.00 64.86 64.22 2j5i h ILE 171 Cb 1.33 1.13 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 2j5i h ILE 171 CO 0.12 0.45 -1.32 0.24 0.00 0.00 0.00 178.15 177.65 2j5i h MET 172 N 0.79 0.34 0.00 2.37 2.86 -0.78 -3.35 114.93 117.16 2j5i h MET 172 Ca 0.11 -0.58 -0.16 0.00 -2.06 0.00 0.00 59.70 57.01 2j5i h MET 172 Cb 0.73 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 2j5i h MET 172 CO 0.06 1.27 -1.64 0.25 1.06 0.00 0.00 176.91 177.91 2j5i n THR 173 N -3.58 0.99 -1.19 2.22 -2.24 -0.46 -4.97 114.28 105.06 2j5i n THR 173 Ca -0.11 -0.68 -0.06 0.00 -2.27 0.00 0.00 64.05 60.93 2j5i n THR 173 Cb 1.05 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.42 0.83 3.78 3.38 0.00 -0.63 -4.90 105.19 109.07 2j5i n GLY 174 Ca -0.12 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.17 3.35 0.40 1.61 1.02 -1.26 -4.41 119.74 118.28 2j5i s LYS 175 Ca 0.00 1.45 -0.02 0.00 0.02 0.00 0.00 55.97 57.43 2j5i s LYS 175 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2j5i s LYS 175 CO 0.00 -0.82 0.64 0.95 -0.92 0.00 0.00 175.35 175.19 2j5i s THR 176 N -2.02 5.03 0.04 2.17 -4.23 -1.26 -4.40 115.64 110.97 2j5i s THR 176 Ca 0.69 -0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2j5i s THR 176 Cb -0.20 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.76 2j5i s THR 176 CO 0.29 -0.67 0.09 0.72 -0.54 0.00 0.00 174.62 174.52 2j5i s PHE 177 N -2.47 0.23 0.22 3.99 -0.71 -0.13 -4.97 117.98 114.14 2j5i s PHE 177 Ca 0.43 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.77 2j5i s PHE 177 Cb -0.10 -0.16 0.04 0.00 -1.21 0.00 0.00 43.02 41.59 2j5i s PHE 177 CO 0.39 -0.39 0.31 0.41 -1.34 0.00 0.00 175.22 174.61 2j5i n GLY 178 N 0.61 1.67 0.26 1.99 0.00 -1.26 -0.16 105.19 108.30 2j5i n GLY 178 Ca -0.18 -2.12 -0.11 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 -0.02 0.93 1.00 -0.02 0.00 -1.36 -0.57 103.07 103.03 2j5i h GLY 179 Ca -0.10 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 46.33 2j5i h GLY 179 CO 0.14 0.81 0.34 1.46 0.00 0.00 0.00 176.54 179.29 2j5i h GLN 180 N 0.72 0.69 -0.54 4.80 1.08 -1.83 -0.77 115.11 119.24 2j5i h GLN 180 Ca 0.07 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2j5i h GLN 180 Cb 0.89 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 2j5i h GLN 180 CO 0.08 0.47 0.08 -0.22 -0.95 0.00 0.00 178.83 178.28 2j5i h LYS 181 N 0.70 0.91 -0.72 1.46 3.64 -1.85 -0.83 116.57 119.88 2j5i h LYS 181 Ca 0.19 -0.25 0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2j5i h LYS 181 Cb -0.07 -0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 31.55 2j5i h LYS 181 CO -0.04 0.89 0.22 0.00 -2.27 0.00 0.00 179.45 178.25 2j5i h ALA 182 N 0.99 0.96 -0.30 5.00 0.00 -0.77 0.14 119.26 125.27 2j5i h ALA 182 Ca 0.16 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2j5i h ALA 182 Cb 0.42 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2j5i h ALA 182 CO 0.01 -0.28 -0.21 0.00 0.00 0.00 0.00 179.25 178.77 2j5i h ALA 183 N 1.56 0.43 -0.95 0.00 0.00 -0.82 -1.20 119.26 118.28 2j5i h ALA 183 Ca 0.40 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2j5i h ALA 183 Cb 0.64 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2j5i h ALA 183 CO -0.45 0.38 0.63 1.49 0.00 0.00 0.00 179.25 181.31 2j5i h GLU 184 N 0.43 1.23 0.00 0.00 4.81 -0.61 -2.37 114.58 118.07 2j5i h GLU 184 Ca 0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2j5i h GLU 184 Cb 0.76 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2j5i h GLU 184 CO 0.06 0.81 0.00 -1.33 -0.73 0.00 0.00 179.01 177.82 2j5i n MET 185 N -4.40 0.21 -0.26 1.92 2.81 -0.01 -4.93 117.12 112.46 2j5i n MET 185 Ca 0.11 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.25 2j5i n MET 185 Cb 0.03 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 2j5i n MET 185 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2j5i n GLY 186 N 0.93 0.73 0.30 3.03 0.00 -0.89 -4.27 105.19 105.02 2j5i n GLY 186 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 0.82 -9.49 0.99 5.85 -1.39 -3.43 115.31 108.66 2j5i h LEU 187 Ca 0.00 -0.18 -0.56 0.00 0.84 0.00 0.00 57.88 57.98 2j5i h LEU 187 Cb 0.00 -0.22 -0.13 0.00 0.37 0.00 0.00 40.66 40.68 2j5i h LEU 187 CO 0.00 0.85 -0.55 0.68 -0.34 0.00 0.00 178.44 179.08 2j5i s VAL 188 N -5.09 1.01 -0.00 1.05 -7.23 -1.18 -4.92 120.40 104.04 2j5i s VAL 188 Ca -0.10 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 57.99 2j5i s VAL 188 Cb 0.15 -2.52 -0.30 0.00 0.56 0.00 0.00 36.38 34.27 2j5i s VAL 188 CO 0.82 0.00 0.84 0.78 -0.31 0.00 0.00 175.10 177.23 2j5i h ASN 189 N 1.82 0.54 -5.00 4.85 4.21 -1.27 -3.41 115.58 117.32 2j5i h ASN 189 Ca -0.39 -0.72 -0.07 0.00 1.21 0.00 0.00 56.30 56.32 2j5i h ASN 189 Cb 1.27 -0.18 -0.19 0.00 -1.12 0.00 0.00 38.32 38.10 2j5i h ASN 189 CO 0.66 1.59 0.06 -0.70 -1.29 0.00 0.00 177.43 177.76 2j5i s GLU 190 N -2.61 0.96 -0.08 0.81 2.12 -1.22 -4.99 118.70 113.69 2j5i s GLU 190 Ca -0.11 0.10 0.04 0.00 0.36 0.00 0.00 54.97 55.37 2j5i s GLU 190 Cb 0.06 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.90 2j5i s GLU 190 CO 0.87 -0.30 -0.22 0.45 -0.54 0.00 0.00 175.26 175.52 2j5i s SER 191 N -1.29 2.83 0.14 -1.70 0.15 -1.26 -1.65 113.70 110.92 2j5i s SER 191 Ca -0.11 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.07 2j5i s SER 191 Cb -0.01 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.07 2j5i s SER 191 CO 0.08 0.15 -0.08 0.68 1.20 0.00 0.00 173.24 175.27 2j5i s VAL 192 N 0.29 1.00 0.45 4.45 -7.23 -0.65 -4.81 120.40 113.91 2j5i s VAL 192 Ca -0.15 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 57.76 2j5i s VAL 192 Cb -0.17 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 2j5i s VAL 192 CO 0.07 -0.73 1.11 -2.65 -0.31 0.00 0.00 175.10 172.59 2j5i n PRO 193 N -0.17 1.50 -0.34 4.82 -0.02 -1.26 -0.26 135.00 139.26 2j5i n PRO 193 Ca -0.10 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 2j5i n PRO 193 Cb 0.61 -2.21 0.33 0.00 -0.02 0.00 0.00 33.50 32.21 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 1.56 0.71 -2.48 2.45 5.85 -1.91 0.16 115.31 121.66 2j5i h LEU 194 Ca -0.47 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 2j5i h LEU 194 Cb 1.32 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2j5i h LEU 194 CO 0.57 0.20 -0.02 0.00 -0.34 0.00 0.00 178.44 178.85 2j5i h ALA 195 N 1.67 1.14 -0.02 1.25 0.00 -2.01 -1.23 119.26 120.05 2j5i h ALA 195 Ca 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2j5i h ALA 195 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2j5i h ALA 195 CO -0.42 0.03 -0.07 1.04 0.00 0.00 0.00 179.25 179.83 2j5i n GLN 196 N -3.31 1.90 -0.08 0.00 3.00 0.01 -4.72 117.38 114.18 2j5i n GLN 196 Ca -0.02 -1.65 -0.10 0.00 -0.01 0.00 0.00 57.00 55.22 2j5i n GLN 196 Cb 0.14 -1.41 -0.03 0.00 0.00 0.00 0.00 30.24 28.94 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 3.92 0.34 -0.29 1.08 5.85 -0.85 -1.81 115.31 123.55 2j5i h LEU 197 Ca 0.00 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2j5i h LEU 197 Cb 0.87 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2j5i h LEU 197 CO 0.00 0.34 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.34 2j5i h ARG 198 N 0.31 0.52 -0.49 1.25 2.43 -1.85 -0.78 114.38 115.77 2j5i h ARG 198 Ca 0.09 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2j5i h ARG 198 Cb 0.08 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2j5i h ARG 198 CO -0.01 0.67 0.26 0.93 -1.51 0.00 0.00 179.97 180.31 2j5i h GLU 199 N 0.31 0.49 -0.51 0.20 5.08 -1.83 -0.12 114.58 118.20 2j5i h GLU 199 Ca 0.08 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 2j5i h GLU 199 Cb 0.45 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2j5i h GLU 199 CO 0.02 0.33 -0.13 0.28 -1.00 0.00 0.00 179.01 178.51 2j5i h VAL 200 N 0.51 1.27 -0.55 3.13 2.07 -1.13 -1.88 116.25 119.66 2j5i h VAL 200 Ca 0.21 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 2j5i h VAL 200 Cb 0.10 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2j5i h VAL 200 CO -0.14 0.44 0.17 0.74 0.02 0.00 0.00 177.57 178.80 2j5i h THR 201 N 0.85 1.24 -0.50 2.57 2.02 -0.71 -2.58 112.91 115.80 2j5i h THR 201 Ca 0.13 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.42 2j5i h THR 201 Cb 0.68 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2j5i h THR 201 CO 0.05 0.30 0.02 0.40 0.37 0.00 0.00 175.52 176.66 2j5i h ILE 202 N 0.78 1.26 -0.52 3.11 2.04 -0.76 -0.16 117.51 123.26 2j5i h ILE 202 Ca 0.18 -1.05 0.03 0.00 1.00 0.00 0.00 64.86 65.01 2j5i h ILE 202 Cb 0.29 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2j5i h ILE 202 CO -0.00 0.37 0.31 -0.33 0.00 0.00 0.00 178.15 178.49 2j5i h GLU 203 N 0.74 0.59 -0.28 2.37 5.08 -1.28 0.13 114.58 121.92 2j5i h GLU 203 Ca 0.14 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2j5i h GLU 203 Cb 0.49 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2j5i h GLU 203 CO 0.02 0.39 0.15 1.25 -1.00 0.00 0.00 179.01 179.82 2j5i h LEU 204 N 0.60 0.36 -1.28 1.33 5.85 -1.07 -2.00 115.31 119.11 2j5i h LEU 204 Ca 0.21 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.87 2j5i h LEU 204 Cb 0.04 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2j5i h LEU 204 CO -0.11 0.36 0.51 0.00 -0.34 0.00 0.00 178.44 178.86 2j5i h ALA 205 N 1.02 1.54 -0.47 1.25 0.00 -0.51 -1.75 119.26 120.33 2j5i h ALA 205 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2j5i h ALA 205 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2j5i h ALA 205 CO -0.01 0.39 -0.12 0.00 0.00 0.00 0.00 179.25 179.50 2j5i h ARG 206 N 0.95 0.87 -0.31 0.00 2.47 -0.36 -0.61 114.38 117.38 2j5i h ARG 206 Ca 0.30 -0.31 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2j5i h ARG 206 Cb 0.03 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2j5i h ARG 206 CO -0.09 0.94 0.19 -0.97 0.56 0.00 0.00 179.97 180.61 2j5i h ASN 207 N 0.78 0.36 -0.41 7.04 -1.24 -0.69 -2.52 115.58 118.89 2j5i h ASN 207 Ca 0.12 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 2j5i h ASN 207 Cb 0.64 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 2j5i h ASN 207 CO 0.04 0.30 0.09 -0.07 -1.29 0.00 0.00 177.43 176.50 2j5i h LEU 208 N 0.40 0.70 -2.51 0.34 3.38 -0.96 -1.93 115.31 114.72 2j5i h LEU 208 Ca 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2j5i h LEU 208 Cb -0.00 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2j5i h LEU 208 CO -0.02 0.71 -0.02 -0.07 0.09 0.00 0.00 178.44 179.13 2j5i h LEU 209 N 0.72 0.00 -2.09 1.67 3.38 -0.69 -2.17 115.31 116.13 2j5i h LEU 209 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2j5i h LEU 209 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2j5i h LEU 209 CO 0.00 0.02 -0.08 -0.33 0.09 0.00 0.00 178.44 178.14 2j5i h GLU 210 N 0.00 0.00 -6.91 1.13 5.08 -1.10 -3.45 114.58 109.33 2j5i h GLU 210 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.86 2j5i h GLU 210 Cb 0.09 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.37 2j5i h GLU 210 CO 0.00 0.08 0.13 0.15 -1.00 0.00 0.00 179.01 178.37 2j5i s LYS 211 N -4.30 3.66 -0.08 2.33 -0.14 -0.82 -4.99 119.74 115.41 2j5i s LYS 211 Ca -0.03 0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.64 2j5i s LYS 211 Cb 0.14 -2.37 -0.05 0.00 -1.68 0.00 0.00 37.83 33.86 2j5i s LYS 211 CO 0.57 -0.14 1.73 1.21 -0.76 0.00 0.00 175.35 177.95 2j5i s ASN 212 N -3.65 6.52 0.27 2.83 3.84 -1.26 -4.90 114.94 118.58 2j5i s ASN 212 Ca 0.50 2.18 -0.01 0.00 0.21 0.00 0.00 52.86 55.74 2j5i s ASN 212 Cb -0.10 -2.53 0.54 0.00 -0.55 0.00 0.00 41.25 38.60 2j5i s ASN 212 CO 0.39 -1.06 1.78 -0.65 -2.79 0.00 0.00 177.10 174.76 2j5i h PRO 213 N 10.21 0.67 -0.42 0.43 0.11 -1.92 -0.70 132.00 140.37 2j5i h PRO 213 Ca -0.40 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 2j5i h PRO 213 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2j5i h PRO 213 CO 0.96 0.44 -0.29 0.28 -0.21 0.00 0.00 178.00 179.18 2j5i h VAL 214 N 0.69 1.27 -0.35 3.15 2.07 -1.92 -1.01 116.25 120.16 2j5i h VAL 214 Ca 0.47 -1.46 -0.12 0.00 0.82 0.00 0.00 66.70 66.42 2j5i h VAL 214 Cb 0.63 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2j5i h VAL 214 CO -0.34 0.49 -0.24 0.58 0.02 0.00 0.00 177.57 178.08 2j5i h VAL 215 N 0.78 1.29 -0.53 2.57 2.07 -1.78 -1.15 116.25 119.50 2j5i h VAL 215 Ca 0.09 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 2j5i h VAL 215 Cb 0.87 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2j5i h VAL 215 CO 0.08 0.46 0.20 0.25 0.02 0.00 0.00 177.57 178.57 2j5i h LEU 216 N 0.56 0.75 -0.01 2.57 6.46 -1.07 0.46 115.31 125.03 2j5i h LEU 216 Ca 0.07 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2j5i h LEU 216 Cb 0.81 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 2j5i h LEU 216 CO 0.07 0.73 -0.05 -0.09 -0.62 0.00 0.00 178.44 178.48 2j5i h ARG 217 N 0.73 -0.08 -0.83 1.25 2.43 -1.13 -1.04 114.38 115.71 2j5i h ARG 217 Ca 0.18 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 2j5i h ARG 217 Cb 0.23 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 2j5i h ARG 217 CO -0.01 -0.05 0.49 0.00 -1.51 0.00 0.00 179.97 178.88 2j5i h ALA 218 N 0.92 1.18 0.11 2.80 0.00 -0.96 -1.55 119.26 121.77 2j5i h ALA 218 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2j5i h ALA 218 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2j5i h ALA 218 CO -0.05 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.28 2j5i h ALA 219 N 1.44 -0.15 -0.07 0.00 0.00 -0.51 -0.79 119.26 119.18 2j5i h ALA 219 Ca 0.39 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.95 2j5i h ALA 219 Cb 0.32 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2j5i h ALA 219 CO -0.23 -0.48 -0.86 1.57 0.00 0.00 0.00 179.25 179.25 2j5i h LYS 220 N -0.36 0.63 -0.35 0.00 2.10 -1.16 -1.12 116.57 116.32 2j5i h LYS 220 Ca -0.02 -0.58 -0.07 0.00 -2.00 0.00 0.00 60.65 57.99 2j5i h LYS 220 Cb 0.29 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2j5i h LYS 220 CO 0.02 1.19 -0.04 0.45 -2.00 0.00 0.00 179.45 179.07 2j5i h HIS 221 N 0.40 0.72 -0.54 0.07 3.86 -1.34 -2.29 115.15 116.03 2j5i h HIS 221 Ca -0.07 -0.14 0.05 0.00 -1.16 0.00 0.00 60.37 59.05 2j5i h HIS 221 Cb 1.49 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 29.73 2j5i h HIS 221 CO 0.08 0.78 0.27 0.78 0.86 0.00 0.00 177.93 180.70 2j5i h GLY 222 N 0.44 0.76 0.91 2.45 0.00 -1.07 -1.54 103.07 105.02 2j5i h GLY 222 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2j5i h GLY 222 CO 0.03 0.12 -0.15 -2.75 0.00 0.00 0.00 176.54 173.78 2j5i h PHE 223 N 0.53 -0.39 -0.85 5.60 3.04 -1.07 0.15 116.94 123.95 2j5i h PHE 223 Ca 0.24 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 2j5i h PHE 223 Cb 0.14 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 2j5i h PHE 223 CO -0.10 -0.24 0.51 0.87 -2.02 0.00 0.00 178.31 177.34 2j5i h LYS 224 N -0.38 1.14 0.01 1.11 1.57 -1.13 -2.34 116.57 116.56 2j5i h LYS 224 Ca -0.02 -0.10 -0.21 0.00 -1.87 0.00 0.00 60.65 58.45 2j5i h LYS 224 Cb 0.32 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2j5i h LYS 224 CO 0.02 0.80 -0.92 -0.09 -0.57 0.00 0.00 179.45 178.69 2j5i h ARG 225 N 1.16 0.22 0.00 3.15 9.65 -1.21 -3.24 114.38 124.12 2j5i h ARG 225 Ca 0.30 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 2j5i h ARG 225 Cb -0.06 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 2j5i h ARG 225 CO -0.06 0.99 -0.12 0.00 2.80 0.00 0.00 179.97 183.58 2j5i h ARG 227 N 0.00 0.00 0.00 0.00 3.08 -1.56 -2.24 114.38 113.66 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 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2j5i h ARG 227 CO 0.02 0.03 -0.69 0.39 -1.07 0.00 0.00 179.97 178.65 2j5i n GLU 228 N -3.55 0.23 -4.35 0.04 1.02 -0.73 -4.97 120.64 108.34 2j5i n GLU 228 Ca -0.02 0.05 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 2j5i n GLU 228 Cb 0.14 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 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 -3.89 2.80 0.87 -4.62 1.43 -0.84 -5.14 118.68 109.29 2j5i s LEU 229 Ca 0.07 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 2j5i s LEU 229 Cb 0.14 -1.47 0.11 0.00 0.03 0.00 0.00 46.19 45.01 2j5i s LEU 229 CO 0.74 0.09 1.12 0.42 0.23 0.00 0.00 176.35 178.94 2j5i s THR 230 N -1.83 2.48 0.22 5.49 -4.23 -1.26 -4.80 115.64 111.71 2j5i s THR 230 Ca 0.25 0.15 -0.09 0.00 -1.18 0.00 0.00 61.69 60.82 2j5i s THR 230 Cb -0.08 -2.87 0.17 0.00 1.34 0.00 0.00 72.50 71.06 2j5i s THR 230 CO 0.14 -0.20 1.87 -0.50 -0.54 0.00 0.00 174.62 175.39 2j5i h TRP 231 N -1.36 0.95 -0.47 3.99 4.06 -1.98 -0.05 115.95 121.08 2j5i h TRP 231 Ca -0.49 0.02 -0.12 0.00 2.06 0.00 0.00 58.89 60.36 2j5i h TRP 231 Cb 1.30 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 2j5i h TRP 231 CO 0.37 0.56 -0.19 0.93 -3.56 0.00 0.00 178.44 176.55 2j5i h GLU 232 N 1.00 0.95 -0.83 0.49 3.07 -2.00 -1.42 114.58 115.83 2j5i h GLU 232 Ca 0.30 -0.39 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 2j5i h GLU 232 Cb -0.03 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.80 2j5i h GLU 232 CO -0.10 1.05 0.48 1.96 -1.40 0.00 0.00 179.01 181.00 2j5i h GLN 233 N 0.82 1.13 0.00 2.33 4.20 -1.88 -2.80 115.11 118.92 2j5i h GLN 233 Ca 0.11 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 2j5i h GLN 233 Cb 0.75 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2j5i h GLN 233 CO 0.06 0.81 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.88 2j5i h ASN 234 N 1.14 0.00 -0.53 1.46 2.35 -0.50 -0.86 115.58 118.64 2j5i h ASN 234 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2j5i h ASN 234 Cb -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 2j5i h ASN 234 CO -0.05 0.24 0.35 -0.08 -1.65 0.00 0.00 177.43 176.24 2j5i h GLU 235 N 0.00 0.70 0.20 0.81 4.81 -1.00 0.30 114.58 120.41 2j5i h GLU 235 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2j5i h GLU 235 Cb 0.65 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2j5i h GLU 235 CO 0.03 0.47 -0.10 0.22 -0.73 0.00 0.00 179.01 178.90 2j5i h ASP 236 N 0.71 -0.23 -0.08 1.04 3.58 -1.47 -3.01 116.42 116.97 2j5i h ASP 236 Ca 0.19 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2j5i h ASP 236 Cb -0.07 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 2j5i h ASP 236 CO -0.04 0.24 0.05 0.22 -2.88 0.00 0.00 179.24 176.83 2j5i h TYR 237 N -0.78 0.10 -0.19 0.28 5.03 -1.03 -1.63 116.97 118.76 2j5i h TYR 237 Ca -0.03 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.15 2j5i h TYR 237 Cb 0.51 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 2j5i h TYR 237 CO 0.06 0.10 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.47 2j5i h LEU 238 N 0.07 0.50 -0.61 2.82 3.38 -0.51 -0.05 115.31 120.91 2j5i h LEU 238 Ca 0.03 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2j5i h LEU 238 Cb 0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2j5i h LEU 238 CO -0.01 0.89 0.03 1.88 0.09 0.00 0.00 178.44 181.33 2j5i h TYR 239 N 0.38 1.14 -0.88 1.13 0.99 -1.52 -1.08 116.97 117.14 2j5i h TYR 239 Ca 0.02 -0.19 0.03 0.00 2.00 0.00 0.00 58.73 60.60 2j5i h TYR 239 Cb 0.95 -0.30 -0.05 0.00 1.00 0.00 0.00 36.73 38.33 2j5i h TYR 239 CO 0.03 1.00 0.58 0.00 -0.00 0.00 0.00 178.16 179.77 2j5i h ALA 240 N 1.00 1.44 -0.08 3.88 0.00 -0.56 -0.27 119.26 124.67 2j5i h ALA 240 Ca 0.18 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2j5i h ALA 240 Cb 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2j5i h ALA 240 CO 0.02 0.48 -0.59 0.87 0.00 0.00 0.00 179.25 180.03 2j5i h LYS 241 N 1.11 0.27 0.08 0.00 1.79 -0.79 0.11 116.57 119.14 2j5i h LYS 241 Ca 0.35 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2j5i h LYS 241 Cb 0.01 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2j5i h LYS 241 CO -0.10 0.78 -0.04 1.25 -1.08 0.00 0.00 179.45 180.26 2j5i h LEU 242 N 0.20 -0.09 -0.63 2.94 7.12 -0.69 -1.15 115.31 123.00 2j5i h LEU 242 Ca -0.00 -0.26 -0.02 0.00 0.13 0.00 0.00 57.88 57.73 2j5i h LEU 242 Cb 1.09 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.22 2j5i h LEU 242 CO 0.09 0.21 0.34 0.44 -0.13 0.00 0.00 178.44 179.39 2j5i h ASP 243 N -0.41 0.80 -0.90 1.25 3.32 -0.91 -1.97 116.42 117.61 2j5i h ASP 243 Ca -0.01 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.94 2j5i h ASP 243 Cb 0.35 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 2j5i h ASP 243 CO 0.02 0.68 0.59 -0.61 -1.72 0.00 0.00 179.24 178.19 2j5i h GLN 244 N 0.86 1.19 -0.79 3.56 4.15 -0.70 -1.05 115.11 122.33 2j5i h GLN 244 Ca 0.22 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 2j5i h GLN 244 Cb 0.06 -0.27 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 2j5i h GLN 244 CO -0.03 0.79 0.29 1.03 -1.93 0.00 0.00 178.83 178.98 2j5i h SER 245 N 1.22 1.10 0.58 -0.69 0.87 -0.69 -1.29 113.55 114.65 2j5i h SER 245 Ca 0.33 -0.18 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 2j5i h SER 245 Cb -0.13 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.53 2j5i h SER 245 CO -0.07 0.99 -0.51 -0.09 -0.53 0.00 0.00 176.83 176.62 2j5i h ARG 246 N 1.15 0.00 0.25 2.24 2.43 -0.68 0.18 114.38 119.95 2j5i h ARG 246 Ca 0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 2j5i h ARG 246 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2j5i h ARG 246 CO -0.02 0.51 -0.12 1.25 -1.51 0.00 0.00 179.97 180.08 2j5i h LEU 247 N 0.00 -0.28 0.00 3.80 5.85 -0.87 -3.33 115.31 120.48 2j5i h LEU 247 Ca -0.01 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2j5i h LEU 247 Cb 0.93 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2j5i h LEU 247 CO 0.07 0.11 -0.08 0.18 -0.34 0.00 0.00 178.44 178.37 2j5i n LEU 248 N -5.07 0.79 0.00 2.25 4.77 -0.52 -5.12 117.00 114.10 2j5i n LEU 248 Ca -0.09 0.53 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 2j5i n LEU 248 Cb 0.25 -0.30 0.16 0.00 -2.33 0.00 0.00 43.42 41.20 2j5i n LEU 248 CO 0.30 -0.16 0.39 -0.67 -1.33 0.00 0.00 177.39 175.92