#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 2.44 -0.97 -0.72 4.71 -1.26 -1.54 120.64 123.30 2j5i n GLU 5 Ca 0.00 0.89 0.00 0.00 -0.01 0.00 0.00 57.16 58.04 2j5i n GLU 5 Cb 0.00 -2.78 0.00 0.00 -1.01 0.00 0.00 31.44 27.65 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 4.42 0.34 0.20 0.62 0.00 -1.26 -4.93 105.19 104.59 2j5i n GLY 6 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.78 0.55 -6.87 1.61 2.43 -1.63 -3.45 114.38 107.81 2j5i h ARG 7 Ca 0.00 -0.40 -0.69 0.00 -0.81 0.00 0.00 59.98 58.08 2j5i h ARG 7 Cb 0.34 0.07 -0.23 0.00 -0.42 0.00 0.00 29.97 29.73 2j5i h ARG 7 CO 0.00 1.02 -0.87 -1.58 -1.51 0.00 0.00 179.97 177.03 2j5i s TRP 8 N -3.82 2.31 0.09 2.20 0.51 -1.26 -5.05 118.94 113.92 2j5i s TRP 8 Ca -0.07 -0.39 -0.16 0.00 -2.12 0.00 0.00 56.10 53.36 2j5i s TRP 8 Cb 0.10 -1.28 -0.09 0.00 -0.81 0.00 0.00 33.47 31.39 2j5i s TRP 8 CO 0.85 0.29 1.41 -0.22 -0.51 0.00 0.00 176.95 178.78 2j5i h LYS 9 N 4.07 0.64 -0.03 4.98 3.64 -1.97 -3.38 116.57 124.52 2j5i h LYS 9 Ca -0.50 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.55 2j5i h LYS 9 Cb 1.16 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2j5i h LYS 9 CO 0.40 0.94 0.00 0.25 -2.27 0.00 0.00 179.45 178.76 2j5i n THR 10 N -4.32 0.19 -3.90 1.00 -2.24 -1.26 -4.95 114.28 98.80 2j5i n THR 10 Ca -0.04 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 2j5i n THR 10 Cb 0.45 0.97 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.46 0.04 0.07 2.28 1.01 -1.26 -0.26 120.40 121.82 2j5i s VAL 11 Ca 0.05 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2j5i s VAL 11 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 2j5i s VAL 11 CO 0.05 -0.20 -0.24 -0.54 0.00 0.00 0.00 175.10 174.17 2j5i s LYS 12 N -0.61 1.78 -0.09 2.72 1.02 -0.15 -4.31 119.74 120.11 2j5i s LYS 12 Ca -0.07 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.80 2j5i s LYS 12 Cb -0.04 -2.02 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2j5i s LYS 12 CO -0.00 0.50 -0.12 0.08 -0.92 0.00 0.00 175.35 174.89 2j5i s VAL 13 N -0.91 1.22 -0.15 3.17 1.01 -1.26 -0.36 120.40 123.12 2j5i s VAL 13 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2j5i s VAL 13 Cb -0.10 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.15 2j5i s VAL 13 CO 0.04 0.39 -0.12 -1.61 0.00 0.00 0.00 175.10 173.80 2j5i s GLU 14 N 1.09 2.06 -0.12 2.72 2.02 -0.18 -4.68 118.70 121.60 2j5i s GLU 14 Ca -0.06 -0.52 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 2j5i s GLU 14 Cb -0.14 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 2j5i s GLU 14 CO -0.02 -0.27 -0.11 0.42 0.02 0.00 0.00 175.26 175.30 2j5i s ILE 15 N 1.54 3.23 -0.14 -1.63 1.01 -1.26 -0.74 121.20 123.21 2j5i s ILE 15 Ca 0.04 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 2j5i s ILE 15 Cb -0.13 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.03 2j5i s ILE 15 CO -0.10 0.53 0.35 -1.83 0.00 0.00 0.00 174.94 173.90 2j5i s GLU 16 N 0.14 0.35 -1.43 2.79 1.03 -0.55 -4.94 118.70 116.10 2j5i s GLU 16 Ca -0.06 0.63 -0.03 0.00 0.03 0.00 0.00 54.97 55.54 2j5i s GLU 16 Cb -0.15 0.02 0.00 0.00 -0.80 0.00 0.00 34.13 33.21 2j5i s GLU 16 CO 0.04 -0.12 0.42 -0.25 -1.33 0.00 0.00 175.26 174.02 2j5i n ASP 17 N 3.81 -5.57 0.00 0.83 8.00 -1.26 -1.50 116.55 120.87 2j5i n ASP 17 Ca -0.21 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2j5i n ASP 17 Cb 0.55 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.20 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 -1.35 1.33 3.48 0.44 0.00 -1.25 -4.99 105.19 102.85 2j5i n GLY 18 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.44 5.15 -0.53 -0.61 1.01 -0.56 -0.31 121.20 121.92 2j5i s ILE 19 Ca 0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 59.97 2j5i s ILE 19 Cb 0.00 -3.77 0.07 0.00 0.01 0.00 0.00 42.46 38.78 2j5i s ILE 19 CO 0.00 -0.16 0.62 0.00 0.00 0.00 0.00 174.94 175.39 2j5i s ALA 20 N 1.68 3.42 -0.19 9.38 0.00 0.24 -1.48 121.76 134.81 2j5i s ALA 20 Ca 0.05 -1.95 -0.29 0.00 0.00 0.00 0.00 51.96 49.77 2j5i s ALA 20 Cb -0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2j5i s ALA 20 CO 0.10 -2.07 1.24 -0.06 0.00 0.00 0.00 175.76 174.96 2j5i s PHE 21 N 2.50 2.88 -0.26 0.00 0.40 0.09 -0.92 117.98 122.67 2j5i s PHE 21 Ca 0.12 1.04 -0.08 0.00 -0.60 0.00 0.00 56.93 57.42 2j5i s PHE 21 Cb -0.22 -3.54 -0.03 0.00 0.51 0.00 0.00 43.02 39.75 2j5i s PHE 21 CO 0.09 -1.55 0.09 0.08 0.70 0.00 0.00 175.22 174.63 2j5i s VAL 22 N 3.60 4.38 -0.23 -0.44 1.01 0.70 -1.01 120.40 128.41 2j5i s VAL 22 Ca 0.54 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2j5i s VAL 22 Cb -0.20 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.15 2j5i s VAL 22 CO 0.15 0.29 -0.10 -0.63 0.00 0.00 0.00 175.10 174.81 2j5i s ILE 23 N 1.62 1.88 0.18 2.22 1.01 0.51 -0.64 121.20 127.98 2j5i s ILE 23 Ca 0.06 -1.34 -0.31 0.00 0.00 0.00 0.00 60.65 59.06 2j5i s ILE 23 Cb -0.15 -2.00 -0.10 0.00 0.01 0.00 0.00 42.46 40.22 2j5i s ILE 23 CO 0.04 0.04 1.50 -0.76 0.00 0.00 0.00 174.94 175.76 2j5i s LEU 24 N 1.26 4.38 -0.45 2.97 1.43 -0.07 -0.97 118.68 127.22 2j5i s LEU 24 Ca -0.05 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 2j5i s LEU 24 Cb -0.18 -3.60 0.27 0.00 0.03 0.00 0.00 46.19 42.71 2j5i s LEU 24 CO -0.07 -0.76 0.63 -3.20 0.23 0.00 0.00 176.35 173.19 2j5i n ASN 25 N 3.47 1.28 -3.12 2.29 4.05 0.64 -0.19 115.26 123.68 2j5i n ASN 25 Ca 0.11 -2.96 -0.22 0.00 0.45 0.00 0.00 54.58 51.96 2j5i n ASN 25 Cb 0.40 -0.64 -0.04 0.00 1.23 0.00 0.00 39.78 40.73 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 0.99 1.76 0.24 1.20 1.74 -1.26 -4.47 116.66 116.87 2j5i n ARG 26 Ca 0.24 -3.91 0.08 0.00 -0.77 0.00 0.00 57.85 53.49 2j5i n ARG 26 Cb 0.52 -1.87 0.60 0.00 -1.02 0.00 0.00 32.46 30.70 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 3.14 0.00 0.00 5.56 0.13 -1.87 0.12 132.00 139.08 2j5i h PRO 27 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2j5i h PRO 27 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 2j5i h PRO 27 CO 0.62 0.15 -0.07 0.93 -0.23 0.00 0.00 178.00 179.39 2j5i h GLU 28 N 0.00 0.00 -0.84 0.86 3.07 -1.94 -2.17 114.58 113.56 2j5i h GLU 28 Ca -0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 2j5i h GLU 28 Cb 0.29 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.79 2j5i h GLU 28 CO 0.02 0.07 -0.56 1.63 -1.40 0.00 0.00 179.01 178.78 2j5i n LYS 29 N -3.95 3.47 -3.70 2.33 5.02 -0.38 -4.95 118.16 116.00 2j5i n LYS 29 Ca -0.03 -4.06 -0.28 0.00 -2.02 0.00 0.00 58.31 51.93 2j5i n LYS 29 Cb 0.16 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 32.88 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 -0.72 -3.13 -2.36 1.97 5.12 -0.81 -0.45 116.66 116.27 2j5i n ARG 30 Ca 0.46 0.39 -0.17 0.00 -1.93 0.00 0.00 57.85 56.60 2j5i n ARG 30 Cb 0.90 -5.09 -0.01 0.00 -1.16 0.00 0.00 32.46 27.10 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 -2.38 -5.00 -4.67 0.55 3.02 0.28 -0.61 115.26 106.44 2j5i n ASN 31 Ca 0.03 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 2j5i n ASN 31 Cb 0.51 -4.21 0.01 0.00 -0.61 0.00 0.00 39.78 35.48 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 -1.92 0.87 -2.85 5.41 0.00 0.41 -4.44 120.51 118.00 2j5i n ALA 32 Ca -0.20 0.24 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 2j5i n ALA 32 Cb 0.65 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.85 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 -2.20 3.14 0.50 0.00 1.00 0.11 -4.66 119.30 117.19 2j5i s MET 33 Ca 0.63 -0.87 -0.01 0.00 0.00 0.00 0.00 55.69 55.44 2j5i s MET 33 Cb -0.52 -4.16 0.01 0.00 0.00 0.00 0.00 34.83 30.16 2j5i s MET 33 CO 0.57 -1.47 0.74 -1.54 0.00 0.00 0.00 175.02 173.31 2j5i s SER 34 N 3.16 5.66 0.36 3.03 1.04 -1.26 -2.11 113.70 123.57 2j5i s SER 34 Ca 0.18 0.31 0.11 0.00 0.48 0.00 0.00 55.95 57.04 2j5i s SER 34 Cb -0.19 -1.43 0.88 0.00 0.10 0.00 0.00 66.02 65.38 2j5i s SER 34 CO 0.11 -0.87 1.84 -0.65 0.98 0.00 0.00 173.24 174.65 2j5i h PRO 35 N 0.21 0.60 -0.12 4.02 0.11 -1.90 -0.12 132.00 134.81 2j5i h PRO 35 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2j5i h PRO 35 Cb 1.26 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2j5i h PRO 35 CO 0.57 0.40 0.04 1.15 -0.21 0.00 0.00 178.00 179.95 2j5i h THR 36 N 0.62 1.16 -0.83 -1.15 2.02 -1.96 -1.61 112.91 111.15 2j5i h THR 36 Ca 0.49 -0.47 0.08 0.00 0.77 0.00 0.00 66.41 67.29 2j5i h THR 36 Cb 0.92 1.25 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 2j5i h THR 36 CO -0.24 0.14 0.49 0.25 0.37 0.00 0.00 175.52 176.53 2j5i h LEU 37 N 0.03 0.74 -0.43 2.58 6.46 -1.75 -0.75 115.31 122.18 2j5i h LEU 37 Ca 0.04 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2j5i h LEU 37 Cb 0.18 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2j5i h LEU 37 CO -0.00 0.44 0.19 0.78 -0.62 0.00 0.00 178.44 179.23 2j5i h ASN 38 N 0.86 0.59 -0.66 1.25 2.35 -0.78 0.25 115.58 119.43 2j5i h ASN 38 Ca 0.39 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 2j5i h ASN 38 Cb 0.28 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2j5i h ASN 38 CO -0.22 0.57 0.09 0.03 -1.65 0.00 0.00 177.43 176.26 2j5i h ARG 39 N 0.56 1.10 -0.55 0.81 3.08 -0.96 -2.01 114.38 116.42 2j5i h ARG 39 Ca 0.15 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2j5i h ARG 39 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2j5i h ARG 39 CO -0.01 1.02 -0.00 0.93 -1.07 0.00 0.00 179.97 180.84 2j5i h GLU 40 N 1.02 0.97 -0.52 0.04 5.08 -0.83 -2.73 114.58 117.62 2j5i h GLU 40 Ca 0.20 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2j5i h GLU 40 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2j5i h GLU 40 CO 0.02 0.98 0.13 0.52 -1.00 0.00 0.00 179.01 179.65 2j5i h MET 41 N 0.85 0.79 -0.31 2.33 2.86 -0.75 0.23 114.93 120.93 2j5i h MET 41 Ca 0.16 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2j5i h MET 41 Cb 0.54 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2j5i h MET 41 CO 0.03 0.71 0.17 0.82 1.06 0.00 0.00 176.91 179.70 2j5i h ILE 42 N 0.77 1.01 -0.70 -1.22 2.04 -1.22 -1.08 117.51 117.11 2j5i h ILE 42 Ca 0.17 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 2j5i h ILE 42 Cb 0.28 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2j5i h ILE 42 CO -0.00 0.06 0.37 -0.78 0.00 0.00 0.00 178.15 177.80 2j5i h ASP 43 N 0.35 0.89 -0.45 1.72 3.58 -1.06 -1.25 116.42 120.19 2j5i h ASP 43 Ca 0.13 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.50 2j5i h ASP 43 Cb 0.02 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.81 2j5i h ASP 43 CO -0.07 0.74 0.24 0.58 -2.88 0.00 0.00 179.24 177.85 2j5i h VAL 44 N 0.97 1.00 -0.35 2.25 2.07 -0.31 -0.98 116.25 120.90 2j5i h VAL 44 Ca 0.25 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 67.45 2j5i h VAL 44 Cb 0.06 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2j5i h VAL 44 CO -0.04 0.09 -0.38 -0.07 0.02 0.00 0.00 177.57 177.19 2j5i h LEU 45 N 0.49 0.95 -0.93 2.57 3.38 -0.81 -0.56 115.31 120.39 2j5i h LEU 45 Ca 0.19 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 2j5i h LEU 45 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2j5i h LEU 45 CO -0.11 1.23 -0.07 -0.33 0.09 0.00 0.00 178.44 179.24 2j5i h GLU 46 N 0.68 0.71 -0.08 1.13 5.08 -1.14 -1.75 114.58 119.21 2j5i h GLU 46 Ca 0.05 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2j5i h GLU 46 Cb 0.97 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.16 2j5i h GLU 46 CO 0.09 0.77 -0.44 1.15 -1.00 0.00 0.00 179.01 179.58 2j5i h THR 47 N 0.65 1.39 0.00 1.13 2.02 -0.92 -3.11 112.91 114.07 2j5i h THR 47 Ca 0.12 -1.81 -0.07 0.00 0.77 0.00 0.00 66.41 65.42 2j5i h THR 47 Cb 0.51 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2j5i h THR 47 CO 0.03 0.53 -0.34 -0.07 0.37 0.00 0.00 175.52 176.05 2j5i h LEU 48 N -0.00 0.00 -0.83 2.58 3.38 -1.04 -2.51 115.31 116.89 2j5i h LEU 48 Ca -0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2j5i h LEU 48 Cb 1.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 2j5i h LEU 48 CO 0.09 0.34 0.52 -0.08 0.09 0.00 0.00 178.44 179.39 2j5i h GLU 49 N 0.00 0.94 -0.52 1.13 4.81 -1.24 -2.45 114.58 117.25 2j5i h GLU 49 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2j5i h GLU 49 Cb 0.67 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2j5i h GLU 49 CO 0.04 0.62 0.00 1.04 -0.73 0.00 0.00 179.01 179.99 2j5i n GLN 50 N -4.61 2.43 -3.15 1.92 1.13 -0.97 -4.86 117.38 109.27 2j5i n GLN 50 Ca 0.11 -2.20 -0.43 0.00 -1.94 0.00 0.00 57.00 52.55 2j5i n GLN 50 Cb 0.14 -1.49 -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 -1.20 6.31 0.20 1.08 3.68 -0.92 -4.95 116.67 120.87 2j5i s ASP 51 Ca 0.41 -0.34 0.20 0.00 2.13 0.00 0.00 52.55 54.95 2j5i s ASP 51 Cb 0.22 -2.30 0.89 0.00 -1.45 0.00 0.00 42.92 40.28 2j5i s ASP 51 CO 0.30 -0.72 1.62 -0.81 0.13 0.00 0.00 175.17 175.69 2j5i n PRO 52 N 6.11 0.14 0.09 4.34 -0.04 -1.26 -1.85 135.00 142.53 2j5i n PRO 52 Ca -0.03 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2j5i n PRO 52 Cb 0.48 -1.79 0.44 0.00 -0.04 0.00 0.00 33.50 32.59 2j5i n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j5i n ALA 53 N -1.71 2.27 -2.61 0.55 0.00 -1.26 -4.71 120.51 113.04 2j5i n ALA 53 Ca 0.02 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 2j5i n ALA 53 Cb 0.18 -1.47 -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 -3.09 3.45 -0.09 0.00 0.00 -0.77 -3.88 121.76 117.38 2j5i s ALA 54 Ca 0.11 -1.41 0.12 0.00 0.00 0.00 0.00 51.96 50.78 2j5i s ALA 54 Cb 0.13 -2.61 -0.18 0.00 0.00 0.00 0.00 23.12 20.46 2j5i s ALA 54 CO 0.58 -0.99 0.14 0.41 0.00 0.00 0.00 175.76 175.90 2j5i n GLY 55 N 5.08 -0.63 2.91 0.00 0.00 0.57 -4.90 105.19 108.22 2j5i n GLY 55 Ca -0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.54 0.01 -0.11 1.61 1.01 -0.70 -4.21 120.40 115.48 2j5i s VAL 56 Ca -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2j5i s VAL 56 Cb 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.33 2j5i s VAL 56 CO 0.54 -0.05 0.04 -0.76 0.00 0.00 0.00 175.10 174.87 2j5i s LEU 57 N -0.13 3.79 -0.18 3.92 1.02 -0.17 -0.59 118.68 126.35 2j5i s LEU 57 Ca -0.02 0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.35 2j5i s LEU 57 Cb -0.01 -1.89 0.02 0.00 0.02 0.00 0.00 46.19 44.32 2j5i s LEU 57 CO -0.00 0.36 -0.19 -0.69 0.02 0.00 0.00 176.35 175.85 2j5i s VAL 58 N -0.74 2.17 -0.25 -1.59 1.01 -0.09 -0.52 120.40 120.38 2j5i s VAL 58 Ca 0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 2j5i s VAL 58 Cb -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2j5i s VAL 58 CO 0.02 0.53 0.28 -0.22 0.00 0.00 0.00 175.10 175.71 2j5i s LEU 59 N 1.29 4.08 0.29 3.92 2.96 0.19 -0.22 118.68 131.20 2j5i s LEU 59 Ca 0.05 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2j5i s LEU 59 Cb -0.13 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 2j5i s LEU 59 CO -0.12 -0.06 0.41 0.28 -1.32 0.00 0.00 176.35 175.55 2j5i s THR 60 N 1.53 0.00 0.09 3.68 -1.32 0.19 -0.95 115.64 118.86 2j5i s THR 60 Ca 0.12 -1.62 0.10 0.00 -1.21 0.00 0.00 61.69 59.07 2j5i s THR 60 Cb -0.15 -2.49 -0.03 0.00 -1.51 0.00 0.00 72.50 68.31 2j5i s THR 60 CO 0.08 0.00 -0.24 -0.83 -2.21 0.00 0.00 174.62 171.42 2j5i s GLY 61 N -3.17 1.53 0.36 6.08 0.00 -1.26 -0.89 107.32 109.97 2j5i s GLY 61 Ca 0.30 -1.35 -0.27 0.00 0.00 0.00 0.00 44.72 43.40 2j5i s GLY 61 CO 0.16 -1.28 1.19 0.00 0.00 0.00 0.00 173.10 173.17 2j5i s ALA 62 N -0.96 3.29 0.00 3.20 0.00 0.73 -4.81 121.76 123.21 2j5i s ALA 62 Ca 0.14 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2j5i s ALA 62 Cb -0.10 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2j5i s ALA 62 CO 0.05 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2j5i n GLY 63 N 0.78 1.51 0.10 0.00 0.00 -1.26 -3.91 105.19 102.41 2j5i n GLY 63 Ca 0.02 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 0.19 -6.46 1.61 5.08 -1.89 -3.46 114.58 109.64 2j5i h GLU 64 Ca 0.00 -0.27 -0.53 0.00 -1.00 0.00 0.00 59.36 57.56 2j5i h GLU 64 Cb 0.00 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2j5i h GLU 64 CO 0.00 1.08 -0.13 0.00 -1.00 0.00 0.00 179.01 178.96 2j5i s ALA 65 N -2.85 3.60 0.00 3.43 0.00 -1.25 -3.55 121.76 121.14 2j5i s ALA 65 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2j5i s ALA 65 Cb 0.09 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2j5i s ALA 65 CO 0.85 0.35 0.15 1.87 0.00 0.00 0.00 175.76 178.98 2j5i n TRP 66 N -0.61 0.00 -3.71 0.00 -0.00 -0.24 -4.15 117.44 108.74 2j5i n TRP 66 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.37 2j5i n TRP 66 Cb 0.53 -0.25 -0.10 0.00 -0.00 0.00 0.00 31.31 31.49 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 -0.80 -0.01 -1.22 5.87 -1.32 -0.55 -4.29 115.64 113.32 2j5i s THR 67 Ca 0.00 0.04 0.10 0.00 -1.21 0.00 0.00 61.69 60.62 2j5i s THR 67 Cb 0.00 -0.63 0.13 0.00 -1.51 0.00 0.00 72.50 70.49 2j5i s THR 67 CO 0.00 0.01 1.27 0.00 -2.21 0.00 0.00 174.62 173.69 2j5i n ALA 68 N 3.44 1.55 0.00 11.08 0.00 0.22 -1.55 120.51 135.25 2j5i n ALA 68 Ca -0.17 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2j5i n ALA 68 Cb 0.56 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.45 -0.68 3.68 0.00 0.00 -1.19 -4.36 105.19 102.20 2j5i n GLY 69 Ca 0.04 -1.94 -0.44 0.00 0.00 0.00 0.00 46.02 43.68 2j5i n GLY 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2j5i n MET 70 N 0.00 2.15 -2.65 1.61 2.81 -1.26 0.05 117.12 119.83 2j5i n MET 70 Ca 0.00 0.76 -0.42 0.00 -1.81 0.00 0.00 57.70 56.23 2j5i n MET 70 Cb 0.00 -2.44 -0.03 0.00 -0.71 0.00 0.00 33.22 30.04 2j5i n MET 70 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2j5i s ASP 71 N 0.28 6.31 0.04 7.83 -1.08 -0.90 -4.64 116.67 124.52 2j5i s ASP 71 Ca 0.67 -0.27 -0.23 0.00 -0.52 0.00 0.00 52.55 52.19 2j5i s ASP 71 Cb -0.62 -2.52 -0.15 0.00 -1.46 0.00 0.00 42.92 38.17 2j5i s ASP 71 CO 0.50 -1.54 1.48 -0.07 0.52 0.00 0.00 175.17 176.06 2j5i h LEU 72 N 12.04 0.12 0.32 -1.34 -0.00 -1.92 -0.66 115.31 123.87 2j5i h LEU 72 Ca -0.27 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 2j5i h LEU 72 Cb 1.06 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.66 2j5i h LEU 72 CO 1.20 0.38 -0.41 0.50 -0.00 0.00 0.00 178.44 180.11 2j5i h LYS 73 N -0.14 -0.75 -0.70 1.13 1.63 -1.99 -1.44 116.57 114.31 2j5i h LYS 73 Ca 0.02 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.86 2j5i h LYS 73 Cb 0.31 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 2j5i h LYS 73 CO 0.00 -0.50 0.38 0.93 -3.45 0.00 0.00 179.45 176.81 2j5i h GLU 74 N -0.78 0.98 -0.36 1.90 4.39 -1.98 0.29 114.58 119.02 2j5i h GLU 74 Ca -0.02 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2j5i h GLU 74 Cb 0.72 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2j5i h GLU 74 CO -0.12 0.72 0.10 1.88 -1.16 0.00 0.00 179.01 180.44 2j5i h TYR 75 N 0.98 0.60 -0.06 4.33 0.05 -1.06 -2.29 116.97 119.52 2j5i h TYR 75 Ca 0.25 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 2j5i h TYR 75 Cb 0.04 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 2j5i h TYR 75 CO 0.01 0.58 -0.52 0.74 -1.05 0.00 0.00 178.16 177.92 2j5i h PHE 76 N 0.44 0.19 0.62 4.88 0.05 -0.72 0.42 116.94 122.82 2j5i h PHE 76 Ca 0.12 -0.06 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 2j5i h PHE 76 Cb 0.28 -0.04 0.01 0.00 2.00 0.00 0.00 35.95 38.20 2j5i h PHE 76 CO 0.01 0.64 -0.30 -0.09 -0.18 0.00 0.00 178.31 178.40 2j5i h ARG 77 N 0.12 -0.80 -0.16 1.51 2.43 -0.40 -1.86 114.38 115.21 2j5i h ARG 77 Ca 0.00 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2j5i h ARG 77 Cb 0.96 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2j5i h ARG 77 CO 0.08 -0.53 0.07 0.93 -1.51 0.00 0.00 179.97 179.01 2j5i h GLU 78 N -0.83 0.24 -0.41 0.20 5.08 -1.32 -2.97 114.58 114.56 2j5i h GLU 78 Ca -0.08 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2j5i h GLU 78 Cb 0.64 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2j5i h GLU 78 CO 0.14 0.29 0.03 0.28 -1.00 0.00 0.00 179.01 178.76 2j5i h VAL 79 N 0.13 1.25 0.00 3.13 2.07 -0.93 -2.83 116.25 119.07 2j5i h VAL 79 Ca 0.06 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 2j5i h VAL 79 Cb 0.14 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2j5i h VAL 79 CO -0.01 0.32 -0.35 0.44 0.02 0.00 0.00 177.57 178.00 2j5i h ASP 80 N 0.55 0.00 0.00 0.57 3.32 -1.40 -2.86 116.42 116.60 2j5i h ASP 80 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2j5i h ASP 80 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2j5i h ASP 80 CO 0.01 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 2j5i n ALA 81 N -2.28 2.46 -2.41 3.45 0.00 -1.07 -4.88 120.51 115.78 2j5i n ALA 81 Ca -0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 2j5i n ALA 81 Cb 0.50 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.47 2j5i n ALA 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2j5i s GLY 82 N -1.96 2.49 0.92 0.00 0.00 -1.08 -5.09 107.32 102.60 2j5i s GLY 82 Ca 0.37 -1.58 -0.11 0.00 0.00 0.00 0.00 44.72 43.39 2j5i s GLY 82 CO 0.29 -1.67 1.09 -4.14 0.00 0.00 0.00 173.10 168.67 2j5i s PRO 83 N -3.59 1.04 0.31 2.90 0.02 -1.26 -4.89 135.00 129.53 2j5i s PRO 83 Ca 0.31 0.95 0.08 0.00 0.02 0.00 0.00 61.00 62.37 2j5i s PRO 83 Cb 0.02 -1.77 0.85 0.00 0.02 0.00 0.00 34.50 33.62 2j5i s PRO 83 CO 0.20 -2.43 1.73 1.49 -0.33 0.00 0.00 177.00 177.67 2j5i h GLU 84 N -1.69 0.58 0.00 5.54 4.22 -2.00 -1.37 114.58 119.86 2j5i h GLU 84 Ca -0.50 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.91 2j5i h GLU 84 Cb 1.28 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2j5i h GLU 84 CO 0.52 0.38 0.00 1.51 -2.18 0.00 0.00 179.01 179.24 2j5i n ILE 85 N -4.88 0.86 0.01 2.32 3.06 -1.26 -1.95 119.36 117.52 2j5i n ILE 85 Ca 0.26 0.27 0.01 0.00 -2.50 0.00 0.00 62.75 60.78 2j5i n ILE 85 Cb 0.71 -1.19 0.32 0.00 0.54 0.00 0.00 39.64 40.03 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 0.46 -1.20 9.51 5.85 -1.59 -2.71 115.31 125.63 2j5i h LEU 86 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2j5i h LEU 86 Cb 0.33 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2j5i h LEU 86 CO 0.00 0.51 0.55 -0.61 -0.34 0.00 0.00 178.44 178.55 2j5i h GLN 87 N 0.48 1.01 -0.45 1.25 4.15 -1.57 -0.88 115.11 119.10 2j5i h GLN 87 Ca 0.11 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.55 2j5i h GLN 87 Cb 0.28 -0.23 -0.08 0.00 0.21 0.00 0.00 27.48 27.66 2j5i h GLN 87 CO 0.01 0.67 -0.06 0.93 -1.93 0.00 0.00 178.83 178.44 2j5i h GLU 88 N 1.04 0.04 -0.33 1.69 4.39 -1.63 -1.02 114.58 118.76 2j5i h GLU 88 Ca 0.33 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.93 2j5i h GLU 88 Cb 0.02 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2j5i h GLU 88 CO -0.10 0.03 -0.17 -0.22 -1.16 0.00 0.00 179.01 177.40 2j5i h LYS 89 N 0.05 0.70 -0.35 2.33 3.64 -1.32 -0.83 116.57 120.79 2j5i h LYS 89 Ca 0.22 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 2j5i h LYS 89 Cb 0.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2j5i h LYS 89 CO -0.43 0.91 0.08 0.82 -2.27 0.00 0.00 179.45 178.57 2j5i h ILE 90 N 0.48 1.22 -0.55 2.00 2.04 -1.02 0.21 117.51 121.89 2j5i h ILE 90 Ca 0.07 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.10 2j5i h ILE 90 Cb 0.70 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2j5i h ILE 90 CO 0.05 0.26 0.03 0.03 0.00 0.00 0.00 178.15 178.52 2j5i h ARG 91 N 0.41 0.95 -0.64 2.37 3.08 -1.15 -2.30 114.38 117.09 2j5i h ARG 91 Ca 0.11 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 59.93 2j5i h ARG 91 Cb 0.30 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 2j5i h ARG 91 CO 0.00 0.94 0.36 -0.09 -1.07 0.00 0.00 179.97 180.11 2j5i h ARG 92 N 0.83 0.65 -0.66 0.04 2.43 -0.86 -1.91 114.38 114.90 2j5i h ARG 92 Ca 0.16 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2j5i h ARG 92 Cb 0.50 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2j5i h ARG 92 CO 0.02 0.43 0.20 0.93 -1.51 0.00 0.00 179.97 180.04 2j5i h GLU 93 N 0.67 1.01 0.48 0.20 5.08 -0.69 0.13 114.58 121.46 2j5i h GLU 93 Ca 0.29 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2j5i h GLU 93 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2j5i h GLU 93 CO -0.17 0.87 -0.23 0.00 -1.00 0.00 0.00 179.01 178.47 2j5i h ALA 94 N 1.24 -0.65 -0.82 3.43 0.00 -1.06 -2.96 119.26 118.45 2j5i h ALA 94 Ca 0.21 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2j5i h ALA 94 Cb 0.28 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2j5i h ALA 94 CO -0.01 -0.84 0.54 0.77 0.00 0.00 0.00 179.25 179.70 2j5i h SER 95 N -0.70 0.86 -0.17 0.00 0.02 -1.12 -2.03 113.55 110.41 2j5i h SER 95 Ca -0.07 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2j5i h SER 95 Cb 0.52 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 2j5i h SER 95 CO 0.11 0.58 -0.20 -0.61 -1.14 0.00 0.00 176.83 175.57 2j5i h GLN 96 N 0.99 -0.22 0.07 3.45 5.75 -0.56 -0.12 115.11 124.46 2j5i h GLN 96 Ca 0.33 0.02 -0.29 0.00 -0.15 0.00 0.00 58.65 58.55 2j5i h GLN 96 Cb 0.06 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 2j5i h GLN 96 CO -0.10 -0.15 -1.53 0.11 -2.65 0.00 0.00 178.83 174.52 2j5i h TRP 97 N -0.23 0.25 -0.01 3.99 5.08 -1.53 0.11 115.95 123.61 2j5i h TRP 97 Ca 0.11 -0.18 -0.06 0.00 1.08 0.00 0.00 58.89 59.84 2j5i h TRP 97 Cb 0.40 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 26.54 2j5i h TRP 97 CO -0.33 1.24 -0.28 1.96 -1.28 0.00 0.00 178.44 179.76 2j5i h GLN 98 N 0.04 0.02 0.00 0.12 4.20 -1.27 -3.32 115.11 114.89 2j5i h GLN 98 Ca -0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2j5i h GLN 98 Cb 1.97 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2j5i h GLN 98 CO 0.13 0.30 0.00 -2.67 -0.67 0.00 0.00 178.83 175.92 2j5i n TRP 99 N -4.20 0.00 -0.11 2.96 4.27 -0.89 -3.43 117.44 116.04 2j5i n TRP 99 Ca -0.02 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.49 2j5i n TRP 99 Cb 0.33 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.26 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 0.52 0.16 -2.67 1.57 -1.03 0.22 116.57 115.34 2j5i h LYS 100 Ca 0.00 -0.10 -0.29 0.00 -1.87 0.00 0.00 60.65 58.39 2j5i h LYS 100 Cb 0.00 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.25 2j5i h LYS 100 CO 0.00 0.53 -1.29 -0.07 -0.57 0.00 0.00 179.45 178.05 2j5i h LEU 101 N 0.40 0.59 0.19 2.94 3.38 -1.00 -3.41 115.31 118.40 2j5i h LEU 101 Ca 0.11 -0.61 -0.30 0.00 0.09 0.00 0.00 57.88 57.17 2j5i h LEU 101 Cb 0.22 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 40.81 2j5i h LEU 101 CO -0.01 1.47 -1.31 0.25 0.09 0.00 0.00 178.44 178.93 2j5i h LEU 102 N 0.12 0.82 -0.48 1.67 5.85 -1.63 -2.94 115.31 118.73 2j5i h LEU 102 Ca -0.17 -0.89 -0.02 0.00 0.84 0.00 0.00 57.88 57.64 2j5i h LEU 102 Cb 1.99 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 2j5i h LEU 102 CO 0.22 1.64 0.21 -0.09 -0.34 0.00 0.00 178.44 180.08 2j5i h ARG 103 N 0.13 0.70 -1.04 1.25 2.43 -1.10 -2.68 114.38 114.07 2j5i h ARG 103 Ca -0.22 -0.11 -0.65 0.00 -0.81 0.00 0.00 59.98 58.18 2j5i h ARG 103 Cb 2.01 -0.12 -0.33 0.00 -0.42 0.00 0.00 29.97 31.11 2j5i h ARG 103 CO 0.25 0.61 0.43 -1.33 -1.51 0.00 0.00 179.97 178.42 2j5i n MET 104 N -4.60 2.94 -2.08 0.20 2.81 -1.26 -4.90 117.12 110.24 2j5i n MET 104 Ca 0.01 -3.56 -0.37 0.00 -1.81 0.00 0.00 57.70 51.97 2j5i n MET 104 Cb 0.13 -2.28 0.01 0.00 -0.71 0.00 0.00 33.22 30.37 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 2.62 0.32 2.03 6.04 -1.01 -4.90 117.35 118.67 2j5i s TYR 105 Ca 0.60 1.48 0.20 0.00 0.04 0.00 0.00 57.07 59.39 2j5i s TYR 105 Cb 0.48 -3.53 0.95 0.00 -1.04 0.00 0.00 41.96 38.83 2j5i s TYR 105 CO -0.04 -2.04 1.88 0.00 -1.54 0.00 0.00 175.55 173.81 2j5i h ALA 106 N 1.70 1.24 -2.76 3.97 0.00 -1.92 -3.44 119.26 118.05 2j5i h ALA 106 Ca -0.50 -0.26 -0.58 0.00 0.00 0.00 0.00 54.91 53.57 2j5i h ALA 106 Cb 1.27 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 2j5i h ALA 106 CO 0.59 0.35 -0.60 0.15 0.00 0.00 0.00 179.25 179.74 2j5i s LYS 107 N -4.02 2.71 0.52 0.00 1.02 -1.26 -4.67 119.74 114.05 2j5i s LYS 107 Ca -0.02 -0.96 -0.21 0.00 0.02 0.00 0.00 55.97 54.80 2j5i s LYS 107 Cb 0.13 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.84 2j5i s LYS 107 CO 0.67 0.47 1.19 -1.25 -0.92 0.00 0.00 175.35 175.50 2j5i s PRO 108 N -3.04 3.39 -0.01 -1.68 0.04 -1.26 -4.86 135.00 127.57 2j5i s PRO 108 Ca 0.30 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.14 2j5i s PRO 108 Cb -0.10 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 2j5i s PRO 108 CO 0.22 -0.86 -0.06 0.95 0.04 0.00 0.00 177.00 177.29 2j5i s THR 109 N -1.59 0.49 -0.06 1.26 -4.23 -1.26 -1.00 115.64 109.25 2j5i s THR 109 Ca 0.70 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 2j5i s THR 109 Cb -0.29 -0.43 0.02 0.00 1.34 0.00 0.00 72.50 73.14 2j5i s THR 109 CO 0.33 0.15 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.84 2j5i s ILE 110 N -0.03 0.89 -0.13 2.99 1.01 0.32 -2.13 121.20 124.12 2j5i s ILE 110 Ca 0.01 -0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 2j5i s ILE 110 Cb -0.04 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 2j5i s ILE 110 CO -0.00 0.30 0.62 0.00 0.00 0.00 0.00 174.94 175.86 2j5i s ALA 111 N 0.84 3.45 -0.46 9.38 0.00 0.08 -0.64 121.76 134.40 2j5i s ALA 111 Ca -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.71 2j5i s ALA 111 Cb -0.15 -2.89 0.12 0.00 0.00 0.00 0.00 23.12 20.20 2j5i s ALA 111 CO 0.02 -0.26 0.27 1.41 0.00 0.00 0.00 175.76 177.20 2j5i s MET 112 N 1.20 2.16 -0.73 0.00 1.75 -0.12 -1.17 119.30 122.40 2j5i s MET 112 Ca 0.31 -1.98 -0.19 0.00 -1.25 0.00 0.00 55.69 52.58 2j5i s MET 112 Cb -0.16 -3.64 0.11 0.00 2.84 0.00 0.00 34.83 33.98 2j5i s MET 112 CO 0.13 -1.11 0.89 0.08 -0.65 0.00 0.00 175.02 174.37 2j5i s VAL 113 N 0.88 4.75 -0.59 10.11 1.01 0.23 -4.38 120.40 132.42 2j5i s VAL 113 Ca 0.10 -1.16 0.24 0.00 0.00 0.00 0.00 61.98 61.17 2j5i s VAL 113 Cb -0.22 -4.62 0.14 0.00 0.00 0.00 0.00 36.38 31.67 2j5i s VAL 113 CO -0.04 -1.30 1.43 -0.55 0.00 0.00 0.00 175.10 174.64 2j5i h ASN 114 N 9.04 0.00 0.00 3.32 -1.07 -1.88 -1.18 115.58 123.81 2j5i h ASN 114 Ca -0.13 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 56.14 2j5i h ASN 114 Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 2j5i h ASN 114 CO 1.09 0.05 0.00 0.61 0.07 0.00 0.00 177.43 179.25 2j5i n GLY 115 N 1.28 2.28 3.60 9.14 0.00 -1.25 -4.63 105.19 115.61 2j5i n GLY 115 Ca 0.03 -0.37 -0.60 0.00 0.00 0.00 0.00 46.02 45.08 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 1.20 -3.69 1.61 7.02 -1.23 -3.66 117.44 118.69 2j5i n TRP 116 Ca 0.00 0.97 -0.29 0.00 -1.02 0.00 0.00 57.50 57.16 2j5i n TRP 116 Cb 0.00 -2.20 -0.15 0.00 -2.42 0.00 0.00 31.31 26.54 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 1.80 1.74 0.00 0.00 0.40 -0.60 -2.22 117.98 119.10 2j5i s PHE 118 Ca 0.06 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2j5i s PHE 118 Cb -0.17 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.38 2j5i s PHE 118 CO -0.23 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.26 2j5i n GLY 119 N 1.34 3.80 0.40 4.36 0.00 -0.50 -1.50 105.19 113.11 2j5i n GLY 119 Ca -0.19 0.09 0.20 0.00 0.00 0.00 0.00 46.02 46.12 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 1.78 -0.02 0.00 -1.90 -1.01 103.07 101.92 2j5i h GLY 120 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2j5i h GLY 120 CO 0.00 0.00 0.10 -1.33 0.00 0.00 0.00 176.54 175.31 2j5i h GLY 121 N 0.00 0.00 2.00 4.60 0.00 -1.55 -2.86 103.07 105.25 2j5i h GLY 121 Ca 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 2j5i h GLY 121 CO -0.00 0.00 -0.34 0.74 0.00 0.00 0.00 176.54 176.94 2j5i h PHE 122 N 0.00 0.00 0.94 5.60 -1.00 -1.39 -2.46 116.94 118.63 2j5i h PHE 122 Ca 0.02 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 2j5i h PHE 122 Cb 0.21 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.78 2j5i h PHE 122 CO 0.00 0.34 -0.45 0.77 -1.61 0.00 0.00 178.31 177.36 2j5i h SER 123 N 0.00 -1.07 0.56 2.17 0.02 -1.74 -2.06 113.55 111.44 2j5i h SER 123 Ca -0.00 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2j5i h SER 123 Cb 0.62 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2j5i h SER 123 CO 0.04 -0.76 -0.24 1.55 -1.14 0.00 0.00 176.83 176.28 2j5i h PRO 124 N -1.27 0.00 -0.55 3.45 0.13 -1.57 -0.55 132.00 131.63 2j5i h PRO 124 Ca -0.13 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.06 2j5i h PRO 124 Cb 0.97 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.05 2j5i h PRO 124 CO 0.21 0.24 0.26 1.25 -0.23 0.00 0.00 178.00 179.74 2j5i h LEU 125 N 0.00 0.36 0.00 1.56 5.85 -1.34 -0.42 115.31 121.33 2j5i h LEU 125 Ca -0.00 0.04 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 2j5i h LEU 125 Cb 0.59 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2j5i h LEU 125 CO 0.03 0.24 -1.31 0.58 -0.34 0.00 0.00 178.44 177.65 2j5i h VAL 126 N 0.50 1.25 -0.81 1.05 2.07 -1.11 -3.24 116.25 115.96 2j5i h VAL 126 Ca 0.25 -3.00 -0.00 0.00 0.82 0.00 0.00 66.70 64.76 2j5i h VAL 126 Cb 0.19 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 2j5i h VAL 126 CO -0.19 0.71 0.50 0.00 0.02 0.00 0.00 177.57 178.61 2j5i h ALA 127 N 1.04 1.36 -2.70 1.67 0.00 -0.91 -3.42 119.26 116.29 2j5i h ALA 127 Ca -0.14 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.14 2j5i h ALA 127 Cb 1.85 -0.33 0.10 0.00 0.00 0.00 0.00 17.79 19.41 2j5i h ALA 127 CO 0.10 0.56 0.74 0.00 0.00 0.00 0.00 179.25 180.66 2j5i h ASP 129 N 3.81 -0.72 -2.07 0.00 3.45 -1.68 -3.45 116.42 115.75 2j5i h ASP 129 Ca -0.47 0.05 -0.60 0.00 0.43 0.00 0.00 57.03 56.43 2j5i h ASP 129 Cb 1.25 0.22 -0.13 0.00 -0.56 0.00 0.00 39.33 40.11 2j5i h ASP 129 CO 0.72 -0.44 -0.69 -0.76 -1.57 0.00 0.00 179.24 176.49 2j5i s LEU 130 N -10.14 2.78 -0.13 1.55 1.43 -0.93 -5.04 118.68 108.20 2j5i s LEU 130 Ca -0.17 -1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 51.81 2j5i s LEU 130 Cb 0.05 -1.19 0.04 0.00 0.03 0.00 0.00 46.19 45.12 2j5i s LEU 130 CO 0.63 -0.09 0.33 0.00 0.23 0.00 0.00 176.35 177.45 2j5i s ALA 131 N -2.52 -0.82 -0.06 4.21 0.00 -1.26 -0.74 121.76 120.57 2j5i s ALA 131 Ca 0.32 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.44 2j5i s ALA 131 Cb -0.02 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 2j5i s ALA 131 CO 0.17 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 175.96 2j5i s ILE 132 N 0.77 1.62 0.34 0.00 1.01 -0.31 -0.42 121.20 124.21 2j5i s ILE 132 Ca -0.05 -0.81 0.08 0.00 0.00 0.00 0.00 60.65 59.87 2j5i s ILE 132 Cb -0.06 -1.39 -0.07 0.00 0.01 0.00 0.00 42.46 40.95 2j5i s ILE 132 CO -0.05 0.46 -0.06 0.00 0.00 0.00 0.00 174.94 175.29 2j5i s ALA 134 N -2.74 3.33 0.30 0.00 0.00 -0.45 -0.96 121.76 121.24 2j5i s ALA 134 Ca 0.33 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.73 2j5i s ALA 134 Cb 0.05 -3.03 0.71 0.00 0.00 0.00 0.00 23.12 20.84 2j5i s ALA 134 CO 0.16 0.25 1.80 -0.44 0.00 0.00 0.00 175.76 177.53 2j5i h ASP 135 N 3.52 0.81 0.41 0.00 3.32 -1.01 -1.54 116.42 121.93 2j5i h ASP 135 Ca -0.47 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2j5i h ASP 135 Cb 1.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2j5i h ASP 135 CO 0.65 0.34 0.00 -1.84 -1.72 0.00 0.00 179.24 176.67 2j5i n GLU 136 N -4.70 0.52 -1.74 3.56 0.00 -1.26 -2.61 120.64 114.41 2j5i n GLU 136 Ca 0.22 0.01 -0.34 0.00 0.00 0.00 0.00 57.16 57.05 2j5i n GLU 136 Cb 0.51 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.51 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 -2.44 2.38 -0.04 -1.84 0.00 -0.58 -4.89 121.76 114.35 2j5i s ALA 137 Ca 0.31 0.77 0.04 0.00 0.00 0.00 0.00 51.96 53.08 2j5i s ALA 137 Cb 0.19 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 2j5i s ALA 137 CO 0.41 -1.41 -0.16 0.99 0.00 0.00 0.00 175.76 175.59 2j5i s THR 138 N -2.03 1.33 0.12 0.00 2.01 -1.26 -2.48 115.64 113.34 2j5i s THR 138 Ca 0.72 -0.66 0.10 0.00 0.31 0.00 0.00 61.69 62.16 2j5i s THR 138 Cb -0.25 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2j5i s THR 138 CO 0.40 0.39 -0.24 -0.36 -0.69 0.00 0.00 174.62 174.11 2j5i s PHE 139 N 0.06 2.38 -0.23 4.92 0.40 0.35 -1.09 117.98 124.78 2j5i s PHE 139 Ca -0.04 -0.34 -0.27 0.00 -0.60 0.00 0.00 56.93 55.68 2j5i s PHE 139 Cb -0.11 -1.29 0.13 0.00 0.51 0.00 0.00 43.02 42.27 2j5i s PHE 139 CO 0.02 0.35 1.08 0.20 0.70 0.00 0.00 175.22 177.56 2j5i s GLY 140 N -2.06 -0.14 -1.06 4.36 0.00 -0.94 -1.65 107.32 105.83 2j5i s GLY 140 Ca 0.15 2.50 -0.07 0.00 0.00 0.00 0.00 44.72 47.30 2j5i s GLY 140 CO 0.07 1.47 1.06 1.04 0.00 0.00 0.00 173.10 176.74 2j5i n LEU 141 N 1.44 5.27 0.00 0.66 7.99 -1.26 -1.40 117.00 129.69 2j5i n LEU 141 Ca -0.11 -5.07 0.15 0.00 -0.01 0.00 0.00 56.01 50.97 2j5i n LEU 141 Cb 0.57 -1.38 0.85 0.00 -0.11 0.00 0.00 43.42 43.35 2j5i n LEU 141 CO 0.08 1.42 1.06 -1.54 -1.51 0.00 0.00 177.39 176.90 2j5i n SER 142 N 2.50 0.00 -0.26 -1.43 3.41 -1.26 -4.18 113.62 112.39 2j5i n SER 142 Ca 0.24 -0.61 0.06 0.00 -0.26 0.00 0.00 58.87 58.30 2j5i n SER 142 Cb 0.38 -0.13 0.17 0.00 -0.26 0.00 0.00 64.21 64.38 2j5i n SER 142 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2j5i h GLU 143 N 0.00 0.11 -1.01 4.33 3.07 -1.90 0.12 114.58 119.31 2j5i h GLU 143 Ca 0.00 -0.01 0.16 0.00 -0.50 0.00 0.00 59.36 59.01 2j5i h GLU 143 Cb 0.12 -0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 27.91 2j5i h GLU 143 CO 0.00 0.07 0.62 0.97 -1.40 0.00 0.00 179.01 179.28 2j5i h ILE 144 N 0.11 0.81 0.00 3.13 6.09 -1.68 0.10 117.51 126.08 2j5i h ILE 144 Ca 0.43 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.62 2j5i h ILE 144 Cb 0.77 -0.15 0.00 0.00 0.47 0.00 0.00 36.82 37.92 2j5i h ILE 144 CO -0.67 0.16 0.00 0.78 -3.07 0.00 0.00 178.15 175.35 2j5i h ASN 145 N 0.88 0.00 -0.05 2.19 2.35 -1.06 -2.20 115.58 117.69 2j5i h ASN 145 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 2j5i h ASN 145 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2j5i h ASN 145 CO -0.33 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.24 2j5i n TRP 146 N -2.94 0.04 -1.11 1.19 7.02 0.26 -4.97 117.44 116.94 2j5i n TRP 146 Ca 0.03 -0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2j5i n TRP 146 Cb 0.40 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.29 2j5i n TRP 146 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2j5i n GLY 147 N 1.18 0.42 3.13 6.99 0.00 -0.61 -5.07 105.19 111.23 2j5i n GLY 147 Ca 0.18 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 2j5i n GLY 147 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2j5i s ILE 148 N -2.00 0.88 0.82 -0.61 -0.00 -0.94 -5.01 121.20 114.33 2j5i s ILE 148 Ca 0.00 -1.22 -0.12 0.00 -0.00 0.00 0.00 60.65 59.31 2j5i s ILE 148 Cb 0.00 -0.89 0.08 0.00 -0.00 0.00 0.00 42.46 41.65 2j5i s ILE 148 CO 0.00 -0.30 1.12 -2.16 -0.00 0.00 0.00 174.94 173.60 2j5i s PRO 149 N -1.70 1.90 0.09 0.37 0.04 -1.26 -2.73 135.00 131.71 2j5i s PRO 149 Ca -0.05 0.44 -0.33 0.00 0.04 0.00 0.00 61.00 61.10 2j5i s PRO 149 Cb -0.10 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 2j5i s PRO 149 CO 0.01 -1.70 1.70 -2.30 0.04 0.00 0.00 177.00 174.76 2j5i n PRO 150 N -3.45 2.28 -3.03 0.56 -0.02 -1.26 -4.91 135.00 125.16 2j5i n PRO 150 Ca 0.07 0.83 -0.22 0.00 -2.02 0.00 0.00 63.50 62.16 2j5i n PRO 150 Cb 0.58 -2.64 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.03 1.61 0.00 -1.23 0.00 -1.26 -4.71 107.32 103.76 2j5i s GLY 151 Ca 0.83 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 44.37 2j5i s GLY 151 CO 0.41 -1.01 0.00 -2.01 0.00 0.00 0.00 173.10 170.49 2j5i n ASN 152 N -2.03 0.00 -1.54 1.64 5.15 -1.26 -2.94 115.26 114.28 2j5i n ASN 152 Ca 0.02 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.10 2j5i n ASN 152 Cb 0.58 0.00 0.35 0.00 -0.53 0.00 0.00 39.78 40.18 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 4.56 -0.13 1.20 7.99 -1.26 -4.62 117.00 124.74 2j5i n LEU 153 Ca 0.00 -2.30 -0.04 0.00 -0.01 0.00 0.00 56.01 53.66 2j5i n LEU 153 Cb 0.00 -0.56 0.03 0.00 -0.11 0.00 0.00 43.42 42.78 2j5i n LEU 153 CO 0.00 0.82 0.81 0.58 -1.51 0.00 0.00 177.39 178.09 2j5i h VAL 154 N 4.06 0.61 -0.31 4.08 2.07 -1.85 -0.25 116.25 124.66 2j5i h VAL 154 Ca 0.00 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2j5i h VAL 154 Cb 1.36 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2j5i h VAL 154 CO 0.20 0.01 -0.00 0.28 0.02 0.00 0.00 177.57 178.08 2j5i h SER 155 N 0.04 0.44 -0.19 0.57 0.02 -1.84 -1.63 113.55 110.96 2j5i h SER 155 Ca 0.21 -0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 2j5i h SER 155 Cb 0.32 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 2j5i h SER 155 CO -0.41 0.51 -0.32 0.50 -1.14 0.00 0.00 176.83 175.98 2j5i h LYS 156 N 0.46 0.55 -0.55 3.45 1.63 -1.68 0.82 116.57 121.25 2j5i h LYS 156 Ca 0.10 -0.34 0.11 0.00 -0.85 0.00 0.00 60.65 59.67 2j5i h LYS 156 Cb 0.30 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 31.86 2j5i h LYS 156 CO 0.01 0.94 -0.15 0.00 -3.45 0.00 0.00 179.45 176.80 2j5i h ALA 157 N 0.60 0.34 -0.32 5.00 0.00 -0.73 0.15 119.26 124.29 2j5i h ALA 157 Ca 0.01 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2j5i h ALA 157 Cb 0.90 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2j5i h ALA 157 CO 0.07 -0.45 0.11 0.52 0.00 0.00 0.00 179.25 179.50 2j5i h MET 158 N -0.01 0.49 -0.62 0.00 2.86 -1.18 -2.87 114.93 113.60 2j5i h MET 158 Ca 0.26 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.86 2j5i h MET 158 Cb 0.42 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2j5i h MET 158 CO -0.57 0.52 0.41 0.00 1.06 0.00 0.00 176.91 178.32 2j5i h ALA 159 N 0.95 1.74 0.00 6.32 0.00 -0.06 0.18 119.26 128.39 2j5i h ALA 159 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2j5i h ALA 159 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2j5i h ALA 159 CO -0.01 0.17 -0.45 -0.44 0.00 0.00 0.00 179.25 178.52 2j5i h ASP 160 N 0.66 0.00 0.00 0.00 3.32 -0.88 -3.38 116.42 116.15 2j5i h ASP 160 Ca 0.26 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 2j5i h ASP 160 Cb 0.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2j5i h ASP 160 CO -0.08 0.45 -1.34 0.35 -1.72 0.00 0.00 179.24 176.90 2j5i n THR 161 N -3.34 0.34 -4.57 0.35 -2.24 -0.76 -5.05 114.28 99.02 2j5i n THR 161 Ca 0.01 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 2j5i n THR 161 Cb 0.64 -0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.12 2.78 0.92 2.28 1.01 0.54 -4.20 120.40 121.61 2j5i s VAL 162 Ca -0.03 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 2j5i s VAL 162 Cb 0.02 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.29 2j5i s VAL 162 CO 0.20 0.27 0.84 0.61 0.00 0.00 0.00 175.10 177.02 2j5i n GLY 163 N 1.35 -1.04 0.27 4.51 0.00 -1.26 -4.57 105.19 104.44 2j5i n GLY 163 Ca -0.16 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 2j5i n GLY 163 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2j5i h HIS 164 N -1.63 -0.60 0.08 1.61 2.76 -1.94 0.17 115.15 115.59 2j5i h HIS 164 Ca -0.44 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2j5i h HIS 164 Cb 1.28 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 30.46 2j5i h HIS 164 CO 0.45 -0.35 -0.04 0.00 -1.30 0.00 0.00 177.93 176.69 2j5i h ARG 165 N -0.53 -0.11 -0.85 5.26 2.47 -1.99 -1.66 114.38 116.96 2j5i h ARG 165 Ca -0.02 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2j5i h ARG 165 Cb 0.47 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 2j5i h ARG 165 CO -0.00 -0.07 0.45 1.96 0.56 0.00 0.00 179.97 182.86 2j5i h GLN 166 N -0.12 1.20 -0.38 0.04 4.20 -1.88 -0.09 115.11 118.09 2j5i h GLN 166 Ca -0.01 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2j5i h GLN 166 Cb 0.09 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2j5i h GLN 166 CO 0.01 0.89 0.12 0.77 -0.67 0.00 0.00 178.83 179.96 2j5i h SER 167 N 1.20 0.56 -0.30 1.46 0.02 -0.45 -1.60 113.55 114.44 2j5i h SER 167 Ca 0.30 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2j5i h SER 167 Cb 0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2j5i h SER 167 CO -0.04 0.62 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.09 2j5i h LEU 168 N 0.48 0.71 -0.25 5.07 3.38 -0.99 -0.77 115.31 122.94 2j5i h LEU 168 Ca 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2j5i h LEU 168 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2j5i h LEU 168 CO -0.00 0.85 0.15 0.22 0.09 0.00 0.00 178.44 179.75 2j5i h TYR 169 N 0.66 0.32 -0.19 1.13 5.03 -0.67 0.18 116.97 123.43 2j5i h TYR 169 Ca 0.11 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.24 2j5i h TYR 169 Cb 0.57 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 38.74 2j5i h TYR 169 CO 0.03 0.23 -0.63 1.88 -1.32 0.00 0.00 178.16 178.35 2j5i h TYR 170 N 0.31 0.87 -0.19 -3.82 0.05 -1.07 -1.46 116.97 111.67 2j5i h TYR 170 Ca 0.09 -0.34 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 2j5i h TYR 170 Cb 0.00 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 2j5i h TYR 170 CO -0.05 1.13 0.06 0.82 -1.05 0.00 0.00 178.16 179.07 2j5i h ILE 171 N 0.50 1.18 -0.04 -2.88 2.04 -1.10 -1.22 117.51 115.99 2j5i h ILE 171 Ca -0.01 -0.57 -0.19 0.00 1.00 0.00 0.00 64.86 65.08 2j5i h ILE 171 Cb 1.22 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 2j5i h ILE 171 CO 0.13 0.18 -0.80 0.24 0.00 0.00 0.00 178.15 177.90 2j5i h MET 172 N 0.13 0.33 0.00 2.37 2.86 -0.89 -3.32 114.93 116.41 2j5i h MET 172 Ca 0.06 -0.31 -0.23 0.00 -2.06 0.00 0.00 59.70 57.17 2j5i h MET 172 Cb 0.22 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2j5i h MET 172 CO -0.00 0.97 -1.61 0.25 1.06 0.00 0.00 176.91 177.57 2j5i n THR 173 N -3.78 1.35 -1.31 2.22 -2.24 -0.56 -4.97 114.28 105.00 2j5i n THR 173 Ca -0.04 -0.74 -0.11 0.00 -2.27 0.00 0.00 64.05 60.89 2j5i n THR 173 Cb 0.75 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.48 1.19 3.78 3.38 0.00 -0.46 -4.88 105.19 109.68 2j5i n GLY 174 Ca -0.14 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.85 3.77 0.43 1.61 1.02 -1.26 -4.54 119.74 117.93 2j5i s LYS 175 Ca 0.00 1.54 -0.04 0.00 0.02 0.00 0.00 55.97 57.50 2j5i s LYS 175 Cb 0.00 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 2j5i s LYS 175 CO 0.00 -0.49 0.71 0.95 -0.92 0.00 0.00 175.35 175.60 2j5i s THR 176 N -1.76 4.97 0.01 2.17 -4.23 -1.26 -4.45 115.64 111.08 2j5i s THR 176 Ca 0.66 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 61.04 2j5i s THR 176 Cb -0.22 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 69.79 2j5i s THR 176 CO 0.26 -0.74 0.31 0.72 -0.54 0.00 0.00 174.62 174.63 2j5i s PHE 177 N -2.59 -0.15 0.39 3.99 -0.71 -0.66 -4.98 117.98 113.28 2j5i s PHE 177 Ca 0.45 0.15 0.02 0.00 -1.04 0.00 0.00 56.93 56.51 2j5i s PHE 177 Cb -0.10 0.10 0.07 0.00 -1.21 0.00 0.00 43.02 41.88 2j5i s PHE 177 CO 0.41 -0.44 0.54 0.41 -1.34 0.00 0.00 175.22 174.81 2j5i n GLY 178 N 0.99 1.09 0.19 1.99 0.00 -1.26 -0.49 105.19 107.71 2j5i n GLY 178 Ca -0.20 -2.06 -0.05 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.22 0.65 0.97 -0.02 0.00 -1.23 -1.37 103.07 101.86 2j5i h GLY 179 Ca -0.18 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2j5i h GLY 179 CO 0.21 0.12 0.40 1.46 0.00 0.00 0.00 176.54 178.72 2j5i h GLN 180 N 0.48 0.78 -0.55 4.80 1.08 -1.85 -1.31 115.11 118.54 2j5i h GLN 180 Ca 0.20 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2j5i h GLN 180 Cb 0.10 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 2j5i h GLN 180 CO -0.13 0.51 0.27 -0.22 -0.95 0.00 0.00 178.83 178.31 2j5i h LYS 181 N 0.80 0.78 -0.87 1.46 1.63 -1.89 -0.75 116.57 117.73 2j5i h LYS 181 Ca 0.23 -0.11 0.12 0.00 -0.85 0.00 0.00 60.65 60.03 2j5i h LYS 181 Cb -0.07 -0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.34 2j5i h LYS 181 CO -0.06 0.63 0.50 0.00 -3.45 0.00 0.00 179.45 177.07 2j5i h ALA 182 N 1.11 1.28 -0.16 5.00 0.00 -0.65 -0.34 119.26 125.49 2j5i h ALA 182 Ca 0.19 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 2j5i h ALA 182 Cb 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2j5i h ALA 182 CO -0.03 0.07 -0.53 0.00 0.00 0.00 0.00 179.25 178.76 2j5i h ALA 183 N 1.50 0.28 -1.00 0.00 0.00 -0.93 -0.80 119.26 118.30 2j5i h ALA 183 Ca 0.44 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2j5i h ALA 183 Cb 0.48 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2j5i h ALA 183 CO -0.28 0.48 0.66 1.49 0.00 0.00 0.00 179.25 181.60 2j5i h GLU 184 N 0.31 1.30 0.00 0.00 4.22 -0.56 -2.43 114.58 117.42 2j5i h GLU 184 Ca -0.02 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.34 2j5i h GLU 184 Cb 1.16 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2j5i h GLU 184 CO 0.11 0.86 0.00 0.52 -2.18 0.00 0.00 179.01 178.32 2j5i h MET 185 N 1.34 0.00 0.00 1.92 2.86 -1.08 -3.47 114.93 116.50 2j5i h MET 185 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2j5i h MET 185 Cb -0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2j5i h MET 185 CO -0.09 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.29 2j5i n GLY 186 N 0.78 0.78 0.22 8.32 0.00 -0.91 -4.27 105.19 110.11 2j5i n GLY 186 Ca 0.04 0.00 -0.04 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 0.45 -9.23 0.99 5.85 -1.32 -3.43 115.31 108.62 2j5i h LEU 187 Ca 0.00 -0.17 -0.47 0.00 0.84 0.00 0.00 57.88 58.07 2j5i h LEU 187 Cb 0.00 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 40.77 2j5i h LEU 187 CO 0.00 0.76 -0.59 0.68 -0.34 0.00 0.00 178.44 178.95 2j5i s VAL 188 N -4.35 0.97 -0.00 1.05 -7.23 -1.14 -4.92 120.40 104.77 2j5i s VAL 188 Ca -0.06 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.91 2j5i s VAL 188 Cb 0.13 -2.67 -0.25 0.00 0.56 0.00 0.00 36.38 34.15 2j5i s VAL 188 CO 0.79 0.00 1.06 0.78 -0.31 0.00 0.00 175.10 177.42 2j5i h ASN 189 N 2.08 0.56 -5.04 4.85 4.21 -1.05 -3.41 115.58 117.78 2j5i h ASN 189 Ca -0.39 -0.80 -0.04 0.00 1.21 0.00 0.00 56.30 56.27 2j5i h ASN 189 Cb 1.25 -0.17 -0.13 0.00 -1.12 0.00 0.00 38.32 38.15 2j5i h ASN 189 CO 0.66 1.29 0.05 -1.61 -1.29 0.00 0.00 177.43 176.53 2j5i s GLU 190 N -3.04 1.15 -0.03 0.81 2.02 -1.19 -4.97 118.70 113.44 2j5i s GLU 190 Ca -0.13 -0.57 0.05 0.00 0.02 0.00 0.00 54.97 54.34 2j5i s GLU 190 Cb 0.03 0.52 -0.01 0.00 0.10 0.00 0.00 34.13 34.77 2j5i s GLU 190 CO 0.83 -0.47 -0.19 0.45 0.02 0.00 0.00 175.26 175.90 2j5i s SER 191 N -2.70 2.37 0.09 -0.19 0.15 -1.26 -1.39 113.70 110.77 2j5i s SER 191 Ca 0.01 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.28 2j5i s SER 191 Cb 0.01 -0.51 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 2j5i s SER 191 CO -0.11 0.20 -0.01 0.68 1.20 0.00 0.00 173.24 175.20 2j5i s VAL 192 N -0.19 0.32 0.32 4.45 -7.23 -0.14 -4.82 120.40 113.12 2j5i s VAL 192 Ca 0.01 -1.88 -0.28 0.00 -1.81 0.00 0.00 61.98 58.02 2j5i s VAL 192 Cb -0.10 -1.75 -0.13 0.00 0.56 0.00 0.00 36.38 34.96 2j5i s VAL 192 CO 0.01 -0.78 1.23 -2.65 -0.31 0.00 0.00 175.10 172.60 2j5i n PRO 193 N -0.01 1.94 -0.34 4.82 -0.02 -1.26 -0.37 135.00 139.77 2j5i n PRO 193 Ca -0.11 0.68 0.20 0.00 -2.02 0.00 0.00 63.50 62.26 2j5i n PRO 193 Cb 0.62 -2.22 0.44 0.00 -0.02 0.00 0.00 33.50 32.32 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 2.50 0.57 -2.28 2.45 5.85 -1.91 0.60 115.31 123.09 2j5i h LEU 194 Ca -0.44 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2j5i h LEU 194 Cb 1.30 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2j5i h LEU 194 CO 0.63 0.09 0.01 0.00 -0.34 0.00 0.00 178.44 178.83 2j5i h ALA 195 N 1.68 1.73 -0.04 1.25 0.00 -2.01 -2.03 119.26 119.83 2j5i h ALA 195 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2j5i h ALA 195 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2j5i h ALA 195 CO -0.40 -0.02 0.00 1.04 0.00 0.00 0.00 179.25 179.87 2j5i n GLN 196 N -4.11 1.93 -0.00 0.00 3.00 0.18 -4.72 117.38 113.66 2j5i n GLN 196 Ca -0.03 -1.77 -0.11 0.00 -0.01 0.00 0.00 57.00 55.08 2j5i n GLN 196 Cb 0.10 -1.40 -0.06 0.00 0.00 0.00 0.00 30.24 28.88 2j5i n GLN 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2j5i h LEU 197 N 4.11 0.11 -0.22 1.08 5.85 -1.05 -1.66 115.31 123.53 2j5i h LEU 197 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2j5i h LEU 197 Cb 0.88 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2j5i h LEU 197 CO 0.00 0.17 0.11 -0.09 -0.34 0.00 0.00 178.44 178.29 2j5i h ARG 198 N 0.04 0.31 -0.50 1.25 2.43 -1.85 -1.62 114.38 114.44 2j5i h ARG 198 Ca 0.03 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2j5i h ARG 198 Cb 0.08 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 2j5i h ARG 198 CO -0.00 0.31 0.27 0.93 -1.51 0.00 0.00 179.97 179.97 2j5i h GLU 199 N 0.23 0.51 -0.54 0.20 5.08 -1.82 0.49 114.58 118.74 2j5i h GLU 199 Ca 0.08 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2j5i h GLU 199 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2j5i h GLU 199 CO -0.01 0.34 -0.01 0.28 -1.00 0.00 0.00 179.01 178.60 2j5i h VAL 200 N 0.52 1.26 -0.44 3.13 2.07 -1.26 -1.28 116.25 120.26 2j5i h VAL 200 Ca 0.22 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 2j5i h VAL 200 Cb 0.10 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2j5i h VAL 200 CO -0.14 0.40 0.08 0.74 0.02 0.00 0.00 177.57 178.67 2j5i h THR 201 N 0.83 1.24 -0.72 2.57 2.02 -0.88 -2.01 112.91 115.96 2j5i h THR 201 Ca 0.15 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 2j5i h THR 201 Cb 0.55 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2j5i h THR 201 CO 0.03 0.30 0.30 0.40 0.37 0.00 0.00 175.52 176.93 2j5i h ILE 202 N 0.58 1.25 -0.99 3.11 2.04 -0.71 0.20 117.51 122.98 2j5i h ILE 202 Ca 0.13 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.25 2j5i h ILE 202 Cb 0.36 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 2j5i h ILE 202 CO 0.01 0.30 0.66 -0.33 0.00 0.00 0.00 178.15 178.79 2j5i h GLU 203 N 1.03 1.31 -0.16 2.37 5.08 -1.04 0.55 114.58 123.71 2j5i h GLU 203 Ca 0.24 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2j5i h GLU 203 Cb 0.19 -0.30 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 2j5i h GLU 203 CO -0.02 0.87 -0.04 1.25 -1.00 0.00 0.00 179.01 180.06 2j5i h LEU 204 N 1.35 0.31 -1.04 1.33 5.85 -0.97 -2.45 115.31 119.69 2j5i h LEU 204 Ca 0.36 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2j5i h LEU 204 Cb -0.16 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 2j5i h LEU 204 CO -0.08 0.61 0.64 0.00 -0.34 0.00 0.00 178.44 179.27 2j5i h ALA 205 N 0.72 1.39 -0.81 1.25 0.00 -0.56 -1.43 119.26 119.81 2j5i h ALA 205 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2j5i h ALA 205 Cb 0.47 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2j5i h ALA 205 CO 0.02 0.49 0.42 0.00 0.00 0.00 0.00 179.25 180.17 2j5i h ARG 206 N 1.20 1.15 -0.51 0.00 3.08 -0.79 -0.02 114.38 118.49 2j5i h ARG 206 Ca 0.41 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 2j5i h ARG 206 Cb 0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2j5i h ARG 206 CO -0.14 0.86 0.23 -0.97 -1.07 0.00 0.00 179.97 178.87 2j5i h ASN 207 N 1.14 0.68 -0.28 7.04 -1.24 -0.81 -2.74 115.58 119.38 2j5i h ASN 207 Ca 0.28 -0.14 -0.11 0.00 0.71 0.00 0.00 56.30 57.04 2j5i h ASN 207 Cb 0.06 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 2j5i h ASN 207 CO -0.04 0.64 -0.21 -0.07 -1.29 0.00 0.00 177.43 176.45 2j5i h LEU 208 N 0.68 0.76 -2.27 0.34 3.38 -0.80 -2.62 115.31 114.79 2j5i h LEU 208 Ca 0.17 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.92 2j5i h LEU 208 Cb 0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2j5i h LEU 208 CO -0.02 0.96 0.18 -0.07 0.09 0.00 0.00 178.44 179.58 2j5i h LEU 209 N 0.66 0.00 -0.62 1.67 3.38 -0.80 -2.34 115.31 117.26 2j5i h LEU 209 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2j5i h LEU 209 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2j5i h LEU 209 CO 0.05 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.25 2j5i h GLU 210 N 0.00 0.00 -7.04 1.13 5.08 -1.17 -3.45 114.58 109.13 2j5i h GLU 210 Ca 0.07 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.94 2j5i h GLU 210 Cb 0.43 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.71 2j5i h GLU 210 CO -0.00 0.00 0.23 0.15 -1.00 0.00 0.00 179.01 178.39 2j5i s LYS 211 N -3.32 3.74 -0.06 2.33 -0.14 -0.88 -5.02 119.74 116.39 2j5i s LYS 211 Ca 0.05 0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.95 2j5i s LYS 211 Cb 0.10 -2.27 -0.04 0.00 -1.68 0.00 0.00 37.83 33.93 2j5i s LYS 211 CO 0.49 -0.22 1.47 1.21 -0.76 0.00 0.00 175.35 177.54 2j5i s ASN 212 N -3.49 6.80 0.31 2.83 3.84 -1.26 -4.91 114.94 119.05 2j5i s ASN 212 Ca 0.53 2.06 -0.01 0.00 0.21 0.00 0.00 52.86 55.65 2j5i s ASN 212 Cb -0.10 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.55 2j5i s ASN 212 CO 0.38 -0.82 1.98 1.55 -2.79 0.00 0.00 177.10 177.40 2j5i h PRO 213 N 8.62 1.02 -0.55 0.43 0.13 -1.93 0.32 132.00 140.05 2j5i h PRO 213 Ca -0.35 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 2j5i h PRO 213 Cb 1.16 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 2j5i h PRO 213 CO 0.94 0.68 -0.01 0.28 -0.23 0.00 0.00 178.00 179.66 2j5i h VAL 214 N 1.06 1.26 -0.30 1.56 2.07 -1.92 -1.17 116.25 118.80 2j5i h VAL 214 Ca 0.29 -1.12 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 2j5i h VAL 214 Cb -0.11 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2j5i h VAL 214 CO -0.06 0.40 -0.24 0.58 0.02 0.00 0.00 177.57 178.27 2j5i h VAL 215 N 0.88 1.30 -0.65 2.57 2.07 -1.77 -1.49 116.25 119.17 2j5i h VAL 215 Ca 0.16 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 2j5i h VAL 215 Cb 0.54 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2j5i h VAL 215 CO 0.03 0.45 0.34 0.25 0.02 0.00 0.00 177.57 178.65 2j5i h LEU 216 N 0.45 0.82 -0.20 2.57 6.46 -0.80 -0.47 115.31 124.14 2j5i h LEU 216 Ca 0.06 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2j5i h LEU 216 Cb 0.80 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 2j5i h LEU 216 CO 0.06 0.70 0.07 -0.09 -0.62 0.00 0.00 178.44 178.56 2j5i h ARG 217 N 0.88 0.17 -0.78 1.25 2.43 -1.16 0.15 114.38 117.31 2j5i h ARG 217 Ca 0.23 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 2j5i h ARG 217 Cb 0.07 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2j5i h ARG 217 CO -0.03 0.11 0.49 0.00 -1.51 0.00 0.00 179.97 179.03 2j5i h ALA 218 N 1.12 1.04 -0.01 2.80 0.00 -0.92 -0.93 119.26 122.36 2j5i h ALA 218 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2j5i h ALA 218 Cb 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2j5i h ALA 218 CO -0.08 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2j5i h ALA 219 N 1.34 0.01 -0.26 0.00 0.00 -0.79 -1.24 119.26 118.33 2j5i h ALA 219 Ca 0.32 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 2j5i h ALA 219 Cb 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2j5i h ALA 219 CO -0.13 -0.35 -0.56 1.57 0.00 0.00 0.00 179.25 179.79 2j5i h LYS 220 N -0.27 0.80 -0.41 0.00 2.10 -0.91 -2.23 116.57 115.65 2j5i h LYS 220 Ca 0.00 -0.52 -0.10 0.00 -2.00 0.00 0.00 60.65 58.04 2j5i h LYS 220 Cb 0.29 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 31.67 2j5i h LYS 220 CO 0.00 1.14 -0.14 0.45 -2.00 0.00 0.00 179.45 178.91 2j5i h HIS 221 N 0.61 0.93 -0.47 0.07 3.86 -1.24 -2.49 115.15 116.42 2j5i h HIS 221 Ca 0.01 -0.21 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 2j5i h HIS 221 Cb 1.16 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.37 2j5i h HIS 221 CO 0.07 0.96 0.26 0.78 0.86 0.00 0.00 177.93 180.85 2j5i h GLY 222 N 0.64 0.65 0.93 2.45 0.00 -1.23 -0.88 103.07 105.63 2j5i h GLY 222 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2j5i h GLY 222 CO 0.05 0.15 -0.03 -2.75 0.00 0.00 0.00 176.54 173.96 2j5i h PHE 223 N 0.52 -0.08 -0.53 5.60 3.04 -1.30 -0.14 116.94 124.05 2j5i h PHE 223 Ca 0.19 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.10 2j5i h PHE 223 Cb 0.05 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 2j5i h PHE 223 CO -0.08 -0.05 0.13 0.87 -2.02 0.00 0.00 178.31 177.15 2j5i h LYS 224 N -0.06 0.82 0.04 1.11 1.57 -1.09 -2.52 116.57 116.44 2j5i h LYS 224 Ca 0.01 -0.17 -0.22 0.00 -1.87 0.00 0.00 60.65 58.40 2j5i h LYS 224 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2j5i h LYS 224 CO -0.03 0.74 -0.99 -0.09 -0.57 0.00 0.00 179.45 178.51 2j5i h ARG 225 N 0.79 0.23 0.00 3.15 2.43 -1.06 -3.24 114.38 116.67 2j5i h ARG 225 Ca 0.17 -0.29 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2j5i h ARG 225 Cb 0.29 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2j5i h ARG 225 CO -0.00 1.05 -0.22 0.00 -1.51 0.00 0.00 179.97 179.29 2j5i h ARG 227 N 0.00 0.00 0.00 0.00 3.08 -1.56 -2.14 114.38 113.76 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2j5i h ARG 227 CO 0.03 0.00 -0.68 0.39 -1.07 0.00 0.00 179.97 178.64 2j5i n GLU 228 N -4.11 0.22 -4.22 0.04 1.02 -0.43 -4.96 120.64 108.20 2j5i n GLU 228 Ca 0.15 0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 57.07 2j5i n GLU 228 Cb 0.86 -1.62 -0.08 0.00 -0.02 0.00 0.00 31.44 30.58 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 -3.86 3.22 0.94 -4.62 1.43 -0.80 -5.14 118.68 109.84 2j5i s LEU 229 Ca 0.07 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2j5i s LEU 229 Cb 0.15 -1.89 0.15 0.00 0.03 0.00 0.00 46.19 44.62 2j5i s LEU 229 CO 0.73 0.10 1.13 0.42 0.23 0.00 0.00 176.35 178.97 2j5i s THR 230 N -1.66 1.99 0.19 5.49 -4.23 -1.26 -4.80 115.64 111.36 2j5i s THR 230 Ca 0.26 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.65 2j5i s THR 230 Cb -0.09 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.16 2j5i s THR 230 CO 0.17 0.00 1.86 -0.50 -0.54 0.00 0.00 174.62 175.61 2j5i h TRP 231 N -1.60 0.79 -0.68 3.99 4.06 -1.98 -0.49 115.95 120.04 2j5i h TRP 231 Ca -0.51 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.38 2j5i h TRP 231 Cb 1.33 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 29.20 2j5i h TRP 231 CO 0.24 0.49 0.14 0.93 -3.56 0.00 0.00 178.44 176.67 2j5i h GLU 232 N 0.85 1.10 -0.57 0.49 3.07 -2.01 -0.84 114.58 116.66 2j5i h GLU 232 Ca 0.24 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 2j5i h GLU 232 Cb -0.08 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.66 2j5i h GLU 232 CO -0.06 0.99 0.15 1.96 -1.40 0.00 0.00 179.01 180.65 2j5i h GLN 233 N 1.03 0.88 0.00 2.33 4.20 -1.87 -3.00 115.11 118.68 2j5i h GLN 233 Ca 0.21 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 2j5i h GLN 233 Cb 0.40 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2j5i h GLN 233 CO 0.01 0.78 -0.55 -0.91 -0.67 0.00 0.00 178.83 177.49 2j5i h ASN 234 N 0.85 0.00 -0.57 1.46 2.35 -0.48 -1.32 115.58 117.87 2j5i h ASN 234 Ca 0.19 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 56.05 2j5i h ASN 234 Cb 0.29 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.57 2j5i h ASN 234 CO -0.00 0.55 0.07 -0.08 -1.65 0.00 0.00 177.43 176.31 2j5i h GLU 235 N 0.00 0.18 0.12 0.81 4.81 -1.02 0.44 114.58 119.92 2j5i h GLU 235 Ca -0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2j5i h GLU 235 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2j5i h GLU 235 CO 0.07 0.12 -0.06 0.22 -0.73 0.00 0.00 179.01 178.64 2j5i h ASP 236 N 0.19 -0.13 -0.23 1.04 1.82 -1.55 -3.02 116.42 114.54 2j5i h ASP 236 Ca 0.30 -0.40 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 2j5i h ASP 236 Cb 0.46 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2j5i h ASP 236 CO -0.43 0.38 0.11 0.22 -1.61 0.00 0.00 179.24 177.90 2j5i h TYR 237 N -0.69 0.33 -0.18 0.28 5.03 -0.97 -1.05 116.97 119.72 2j5i h TYR 237 Ca -0.02 -0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 2j5i h TYR 237 Cb 0.52 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 2j5i h TYR 237 CO 0.09 0.33 -0.47 -0.07 -1.32 0.00 0.00 178.16 176.72 2j5i h LEU 238 N 0.23 0.50 -0.69 2.82 3.38 -0.24 -0.37 115.31 120.94 2j5i h LEU 238 Ca 0.08 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 2j5i h LEU 238 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2j5i h LEU 238 CO -0.01 0.90 -0.40 1.88 0.09 0.00 0.00 178.44 180.90 2j5i h TYR 239 N 0.37 0.64 -0.73 1.13 0.99 -1.49 -1.41 116.97 116.47 2j5i h TYR 239 Ca 0.02 -0.19 -0.03 0.00 2.00 0.00 0.00 58.73 60.54 2j5i h TYR 239 Cb 0.97 -0.14 -0.03 0.00 1.00 0.00 0.00 36.73 38.53 2j5i h TYR 239 CO 0.03 0.86 0.33 0.00 -0.00 0.00 0.00 178.16 179.38 2j5i h ALA 240 N 1.11 1.21 -0.60 3.88 0.00 -0.44 -0.27 119.26 124.15 2j5i h ALA 240 Ca 0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2j5i h ALA 240 Cb 0.90 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2j5i h ALA 240 CO 0.08 0.59 0.02 0.87 0.00 0.00 0.00 179.25 180.81 2j5i h LYS 241 N 1.04 1.03 -0.31 0.00 1.79 -0.85 0.43 116.57 119.69 2j5i h LYS 241 Ca 0.25 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 2j5i h LYS 241 Cb 0.14 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2j5i h LYS 241 CO -0.03 1.00 0.14 1.25 -1.08 0.00 0.00 179.45 180.74 2j5i h LEU 242 N 0.95 0.42 -0.49 2.94 7.12 -0.92 -0.60 115.31 124.73 2j5i h LEU 242 Ca 0.17 -0.14 -0.10 0.00 0.13 0.00 0.00 57.88 57.94 2j5i h LEU 242 Cb 0.52 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.53 2j5i h LEU 242 CO 0.03 0.44 -0.10 0.44 -0.13 0.00 0.00 178.44 179.11 2j5i h ASP 243 N 0.37 0.94 -0.86 1.25 3.32 -0.87 -1.88 116.42 118.68 2j5i h ASP 243 Ca 0.11 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.84 2j5i h ASP 243 Cb 0.14 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.38 2j5i h ASP 243 CO -0.01 1.07 0.55 -0.61 -1.72 0.00 0.00 179.24 178.52 2j5i h GLN 244 N 0.79 1.03 -0.43 3.56 4.15 -0.82 -0.81 115.11 122.58 2j5i h GLN 244 Ca 0.13 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 2j5i h GLN 244 Cb 0.65 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 2j5i h GLN 244 CO 0.05 0.68 -0.01 0.66 -1.93 0.00 0.00 178.83 178.28 2j5i h SER 245 N 1.06 0.67 -0.58 -0.69 4.64 -0.72 -2.15 113.55 115.78 2j5i h SER 245 Ca 0.35 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.43 2j5i h SER 245 Cb 0.03 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2j5i h SER 245 CO -0.13 0.74 0.03 -0.09 -0.87 0.00 0.00 176.83 176.52 2j5i h ARG 246 N 0.66 1.02 -0.15 4.77 2.43 -0.65 -1.88 114.38 120.58 2j5i h ARG 246 Ca 0.13 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2j5i h ARG 246 Cb 0.42 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2j5i h ARG 246 CO 0.02 0.98 0.08 1.25 -1.51 0.00 0.00 179.97 180.79 2j5i h LEU 247 N 0.94 0.19 0.00 3.80 5.85 -0.99 -3.31 115.31 121.80 2j5i h LEU 247 Ca 0.18 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2j5i h LEU 247 Cb 0.50 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2j5i h LEU 247 CO 0.02 0.23 -0.51 0.18 -0.34 0.00 0.00 178.44 178.02 2j5i n LEU 248 N -4.92 0.54 0.00 2.25 4.77 -0.83 -5.12 117.00 113.69 2j5i n LEU 248 Ca -0.04 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2j5i n LEU 248 Cb 0.08 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2j5i n LEU 248 CO 0.34 0.04 0.00 -0.67 -1.33 0.00 0.00 177.39 175.77