#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jie s THR 5 N 0.00 1.48 -0.41 -0.44 -1.32 -1.26 -5.07 115.64 108.62 2jie s THR 5 Ca 0.00 -2.02 0.02 0.00 -1.21 0.00 0.00 61.69 58.48 2jie s THR 5 Cb 0.00 -1.84 0.12 0.00 -1.51 0.00 0.00 72.50 69.27 2jie s THR 5 CO 0.00 -0.57 0.19 -0.36 -2.21 0.00 0.00 174.62 171.67 2jie s PHE 6 N -2.79 2.20 -0.29 9.09 0.40 -1.25 -4.96 117.98 120.39 2jie s PHE 6 Ca 0.17 -2.39 -0.16 0.00 -0.60 0.00 0.00 56.93 53.95 2jie s PHE 6 Cb -0.01 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2jie s PHE 6 CO 0.04 -0.82 0.41 0.42 0.70 0.00 0.00 175.22 175.97 2jie s ILE 7 N 0.64 5.14 0.68 0.64 1.09 -1.26 -1.59 121.20 126.54 2jie s ILE 7 Ca 0.15 0.52 -0.11 0.00 -1.10 0.00 0.00 60.65 60.12 2jie s ILE 7 Cb -0.22 -3.76 0.00 0.00 -1.06 0.00 0.00 42.46 37.42 2jie s ILE 7 CO -0.06 0.08 1.06 -0.36 -0.10 0.00 0.00 174.94 175.56 2jie s PHE 8 N 2.13 3.38 1.01 3.97 0.40 -0.59 -5.00 117.98 123.27 2jie s PHE 8 Ca 0.16 1.05 -0.19 0.00 -0.60 0.00 0.00 56.93 57.36 2jie s PHE 8 Cb -0.16 -2.97 -0.07 0.00 0.51 0.00 0.00 43.02 40.33 2jie s PHE 8 CO 0.10 -1.05 -0.55 -2.30 0.70 0.00 0.00 175.22 172.12 2jie n PRO 9 N -2.91 -0.34 0.11 0.24 -0.02 -1.26 -4.88 135.00 125.95 2jie n PRO 9 Ca 0.06 -0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.43 2jie n PRO 9 Cb 0.57 -1.32 0.14 0.00 -0.02 0.00 0.00 33.50 32.86 2jie n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jie h ALA 10 N -1.31 0.90 -0.35 3.55 0.00 -1.97 -3.21 119.26 116.86 2jie h ALA 10 Ca -0.44 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2jie h ALA 10 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jie h ALA 10 CO 0.28 0.77 0.00 0.25 0.00 0.00 0.00 179.25 180.55 2jie n THR 11 N -3.81 2.21 -1.84 0.00 -2.24 -1.26 -4.99 114.28 102.35 2jie n THR 11 Ca -0.02 -1.66 -0.42 0.00 -2.27 0.00 0.00 64.05 59.69 2jie n THR 11 Cb 0.63 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 2jie n THR 11 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2jie s PHE 12 N -2.56 1.89 -0.25 4.78 5.36 -1.22 -4.91 117.98 121.07 2jie s PHE 12 Ca 0.43 -0.01 -0.28 0.00 -0.96 0.00 0.00 56.93 56.11 2jie s PHE 12 Cb 0.33 -4.07 0.01 0.00 -0.34 0.00 0.00 43.02 38.95 2jie s PHE 12 CO 0.12 -4.54 1.01 -1.64 -1.46 0.00 0.00 175.22 168.71 2jie s MET 13 N 3.64 4.19 -0.15 10.12 -1.94 0.01 -4.94 119.30 130.24 2jie s MET 13 Ca 0.79 1.21 -0.05 0.00 -1.71 0.00 0.00 55.69 55.94 2jie s MET 13 Cb -0.40 -3.67 -0.03 0.00 2.01 0.00 0.00 34.83 32.74 2jie s MET 13 CO 0.35 -0.68 0.01 -1.58 -0.01 0.00 0.00 175.02 173.11 2jie s TRP 14 N 3.24 3.14 0.21 -0.03 0.52 -1.26 -0.21 118.94 124.55 2jie s TRP 14 Ca 0.43 -0.05 -0.06 0.00 0.02 0.00 0.00 56.10 56.43 2jie s TRP 14 Cb -0.14 -1.97 0.03 0.00 -1.15 0.00 0.00 33.47 30.23 2jie s TRP 14 CO 0.08 0.15 0.39 0.41 0.02 0.00 0.00 176.95 178.00 2jie n GLY 15 N 3.23 1.70 3.15 0.98 0.00 -0.66 -2.71 105.19 110.89 2jie n GLY 15 Ca -0.17 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 2jie n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jie s THR 16 N -2.55 0.92 0.14 2.61 -1.32 -1.07 -1.40 115.64 112.97 2jie s THR 16 Ca 0.10 -1.42 0.08 0.00 -1.21 0.00 0.00 61.69 59.23 2jie s THR 16 Cb -0.02 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.81 2jie s THR 16 CO 0.07 -0.42 -0.18 -0.44 -2.21 0.00 0.00 174.62 171.45 2jie s SER 17 N -2.05 2.44 0.29 8.08 0.01 -1.02 -1.41 113.70 120.05 2jie s SER 17 Ca 0.00 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.42 2jie s SER 17 Cb -0.07 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.05 2jie s SER 17 CO 0.01 -0.04 0.45 0.35 0.41 0.00 0.00 173.24 174.41 2jie n THR 18 N 0.55 0.00 -3.90 1.44 -2.24 -0.78 -1.50 114.28 107.85 2jie n THR 18 Ca -0.15 -1.28 -0.11 0.00 -2.27 0.00 0.00 64.05 60.23 2jie n THR 18 Cb 0.56 0.86 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 2jie n THR 18 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2jie s SER 19 N -2.72 0.06 0.11 3.42 0.15 -1.26 -4.17 113.70 109.28 2jie s SER 19 Ca 0.21 -0.14 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 2jie s SER 19 Cb -0.02 0.07 -0.11 0.00 -1.71 0.00 0.00 66.02 64.26 2jie s SER 19 CO 0.15 -0.12 1.61 0.77 1.20 0.00 0.00 173.24 176.85 2jie h SER 20 N 5.55 -0.96 -0.13 5.45 4.64 -1.92 -2.36 113.55 123.83 2jie h SER 20 Ca -0.27 0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 2jie h SER 20 Cb 1.21 0.35 -0.02 0.00 -0.31 0.00 0.00 62.40 63.63 2jie h SER 20 CO 0.46 -0.45 -0.16 0.22 -0.87 0.00 0.00 176.83 176.03 2jie h TYR 21 N -0.63 0.55 0.00 4.77 3.20 -1.92 -1.79 116.97 121.16 2jie h TYR 21 Ca 0.01 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2jie h TYR 21 Cb 0.62 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2jie h TYR 21 CO -0.26 0.65 0.00 1.96 -1.64 0.00 0.00 178.16 178.87 2jie h GLN 22 N 0.46 0.00 0.00 1.82 4.20 -1.78 -3.39 115.11 116.42 2jie h GLN 22 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2jie h GLN 22 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2jie h GLN 22 CO 0.04 0.00 -0.51 0.44 -0.67 0.00 0.00 178.83 178.13 2jie n ILE 23 N -2.95 0.00 -0.22 2.54 -5.35 -0.91 -1.94 119.36 110.52 2jie n ILE 23 Ca -0.00 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 2jie n ILE 23 Cb 0.23 -0.34 0.12 0.00 -1.74 0.00 0.00 39.64 37.91 2jie n ILE 23 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2jie h GLU 24 N 0.00 0.10 0.00 6.28 5.08 -1.53 -0.23 114.58 124.29 2jie h GLU 24 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jie h GLU 24 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jie h GLU 24 CO 0.00 0.07 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 2jie n GLY 25 N -1.39 0.22 3.62 -3.84 0.00 -1.12 -0.92 105.19 101.76 2jie n GLY 25 Ca 0.10 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 2jie n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jie n GLY 26 N 0.00 -0.49 0.35 -0.02 0.00 -1.26 -4.79 105.19 98.97 2jie n GLY 26 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2jie n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jie h THR 27 N -1.48 0.90 -0.06 2.61 1.35 -1.90 -2.44 112.91 111.88 2jie h THR 27 Ca -0.51 -0.11 -0.04 0.00 -0.55 0.00 0.00 66.41 65.20 2jie h THR 27 Cb 1.34 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 2jie h THR 27 CO 0.62 0.06 -0.46 -0.90 -0.25 0.00 0.00 175.52 174.59 2jie n ASP 28 N -4.46 1.88 -4.55 5.36 5.75 -1.26 -4.37 116.55 114.90 2jie n ASP 28 Ca 0.08 -3.89 -0.25 0.00 -0.01 0.00 0.00 54.79 50.71 2jie n ASP 28 Cb 0.36 -0.54 -0.09 0.00 -1.03 0.00 0.00 41.12 39.82 2jie n ASP 28 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2jie s GLU 29 N -3.25 1.99 -1.88 0.11 2.02 -0.92 -4.67 118.70 112.10 2jie s GLU 29 Ca 0.39 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.96 2jie s GLU 29 Cb 0.38 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.55 2jie s GLU 29 CO -0.06 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.02 2jie n GLY 30 N -0.29 0.18 2.86 -1.39 0.00 -1.26 -1.93 105.19 103.36 2jie n GLY 30 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2jie n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jie n GLY 31 N -0.86 1.06 3.74 -0.02 0.00 -1.26 -4.25 105.19 103.60 2jie n GLY 31 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2jie n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jie s ARG 32 N -0.05 4.22 0.34 1.61 3.52 -0.81 -4.79 118.95 122.99 2jie s ARG 32 Ca 0.00 2.39 0.07 0.00 -0.13 0.00 0.00 55.73 58.06 2jie s ARG 32 Cb 0.00 -3.09 -0.02 0.00 -1.56 0.00 0.00 34.95 30.28 2jie s ARG 32 CO 0.00 -0.50 0.33 0.95 -0.81 0.00 0.00 175.30 175.28 2jie s THR 33 N 0.07 3.61 0.32 4.11 -4.23 -1.13 -4.38 115.64 114.01 2jie s THR 33 Ca 0.61 -1.29 -0.29 0.00 -1.18 0.00 0.00 61.69 59.54 2jie s THR 33 Cb -0.44 -3.22 -0.12 0.00 1.34 0.00 0.00 72.50 70.06 2jie s THR 33 CO 0.44 -0.16 1.42 -2.65 -0.54 0.00 0.00 174.62 173.13 2jie n PRO 34 N -1.44 2.35 -2.95 3.99 -0.02 -1.26 -4.75 135.00 130.91 2jie n PRO 34 Ca -0.01 0.83 -0.18 0.00 -2.02 0.00 0.00 63.50 62.11 2jie n PRO 34 Cb 0.59 -2.50 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 2jie n PRO 34 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2jie s SER 35 N 0.02 5.45 0.46 2.55 1.04 -1.26 -1.19 113.70 120.77 2jie s SER 35 Ca 0.59 -0.45 0.12 0.00 0.48 0.00 0.00 55.95 56.69 2jie s SER 35 Cb -0.55 -0.47 1.05 0.00 0.10 0.00 0.00 66.02 66.15 2jie s SER 35 CO 0.57 -0.97 2.07 0.16 0.98 0.00 0.00 173.24 176.05 2jie h ILE 36 N 0.43 1.07 0.00 -1.02 3.07 -0.04 -2.08 117.51 118.94 2jie h ILE 36 Ca -0.38 -0.25 -0.04 0.00 1.55 0.00 0.00 64.86 65.74 2jie h ILE 36 Cb 1.28 0.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.76 2jie h ILE 36 CO 0.45 0.09 -0.19 -0.50 -1.05 0.00 0.00 178.15 176.95 2jie h TRP 37 N 0.19 0.00 0.00 0.16 4.06 -1.85 -0.28 115.95 118.23 2jie h TRP 37 Ca 0.05 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.88 2jie h TRP 37 Cb 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2jie h TRP 37 CO 0.00 0.19 -0.56 -0.44 -3.56 0.00 0.00 178.44 174.07 2jie h ASP 38 N 0.00 0.00 0.04 -3.49 5.19 -1.76 0.80 116.42 117.20 2jie h ASP 38 Ca -0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 2jie h ASP 38 Cb 0.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2jie h ASP 38 CO 0.02 0.56 -0.37 0.74 -3.12 0.00 0.00 179.24 177.07 2jie h THR 39 N 0.00 1.62 -0.59 0.35 2.02 -1.46 -3.37 112.91 111.48 2jie h THR 39 Ca -0.01 -2.39 0.08 0.00 0.77 0.00 0.00 66.41 64.87 2jie h THR 39 Cb 1.04 3.22 -0.07 0.00 -1.74 0.00 0.00 68.15 70.61 2jie h THR 39 CO 0.07 0.62 0.25 0.15 0.37 0.00 0.00 175.52 176.98 2jie h PHE 40 N -0.81 0.44 0.00 3.16 3.57 -0.93 -1.92 116.94 120.44 2jie h PHE 40 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2jie h PHE 40 Cb 1.22 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2jie h PHE 40 CO 0.24 0.14 0.00 0.00 -2.23 0.00 0.00 178.31 176.46 2jie n GLN 42 N -2.12 0.28 -2.53 0.00 6.02 -0.72 -4.69 117.38 113.62 2jie n GLN 42 Ca 0.00 0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 2jie n GLN 42 Cb 0.11 -1.69 -0.02 0.00 1.02 0.00 0.00 30.24 29.66 2jie n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jie s ILE 43 N -3.15 4.46 -0.00 5.09 1.01 -0.80 -4.96 121.20 122.85 2jie s ILE 43 Ca 0.07 1.76 -0.36 0.00 0.00 0.00 0.00 60.65 62.12 2jie s ILE 43 Cb 0.13 -4.14 -0.15 0.00 0.01 0.00 0.00 42.46 38.32 2jie s ILE 43 CO 0.70 -0.13 1.59 -2.65 0.00 0.00 0.00 174.94 174.46 2jie n PRO 44 N 6.23 1.62 -0.56 2.79 -0.02 -1.26 -1.79 135.00 142.01 2jie n PRO 44 Ca 0.13 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2jie n PRO 44 Cb 0.46 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2jie n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jie n GLY 45 N 3.46 0.78 0.09 -1.23 0.00 -1.26 -4.94 105.19 102.09 2jie n GLY 45 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2jie n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jie h LYS 46 N 3.72 0.09 -4.31 1.61 1.79 -1.67 -3.46 116.57 114.34 2jie h LYS 46 Ca 0.00 -0.15 -0.44 0.00 -2.18 0.00 0.00 60.65 57.88 2jie h LYS 46 Cb 0.00 0.06 -0.33 0.00 -1.58 0.00 0.00 32.23 30.38 2jie h LYS 46 CO 0.00 0.86 -0.79 0.08 -1.08 0.00 0.00 179.45 178.52 2jie s VAL 47 N -2.63 0.74 0.17 0.50 1.01 -1.26 -4.68 120.40 114.26 2jie s VAL 47 Ca -0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 61.98 61.32 2jie s VAL 47 Cb 0.08 -0.71 -0.16 0.00 0.00 0.00 0.00 36.38 35.60 2jie s VAL 47 CO 0.83 0.26 1.13 -0.38 0.00 0.00 0.00 175.10 176.94 2jie n ILE 48 N 3.74 0.97 -1.07 2.22 5.41 0.37 -0.10 119.36 130.90 2jie n ILE 48 Ca -0.23 -0.24 -0.03 0.00 1.00 0.00 0.00 62.75 63.26 2jie n ILE 48 Cb 0.52 -0.80 -0.01 0.00 -0.71 0.00 0.00 39.64 38.64 2jie n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jie n GLY 49 N 1.95 0.25 2.50 7.39 0.00 -1.26 -2.06 105.19 113.97 2jie n GLY 49 Ca 0.15 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2jie n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jie n GLY 50 N 0.73 1.04 3.68 -0.02 0.00 0.86 -4.95 105.19 106.52 2jie n GLY 50 Ca -0.03 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2jie n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jie n ASP 51 N -0.42 1.65 -4.30 1.61 8.00 -0.87 -4.86 116.55 117.36 2jie n ASP 51 Ca -0.09 0.87 -0.24 0.00 0.71 0.00 0.00 54.79 56.04 2jie n ASP 51 Cb 0.42 -1.48 -0.09 0.00 -0.02 0.00 0.00 41.12 39.95 2jie n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jie n GLY 53 N -0.80 1.40 3.65 0.00 0.00 -1.26 -4.75 105.19 103.43 2jie n GLY 53 Ca -0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2jie n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jie s ASP 54 N -0.58 6.62 0.00 1.61 3.68 -1.26 -3.75 116.67 122.99 2jie s ASP 54 Ca 0.21 2.07 0.00 0.00 2.13 0.00 0.00 52.55 56.95 2jie s ASP 54 Cb 0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 2jie s ASP 54 CO 0.09 -0.99 0.00 0.52 0.13 0.00 0.00 175.17 174.92 2jie n VAL 55 N 5.68 0.00 0.00 1.11 0.31 -1.26 -4.94 118.33 119.23 2jie n VAL 55 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 2jie n VAL 55 Cb 0.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.36 2jie n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jie n ALA 56 N 0.00 0.00 1.26 3.52 0.00 -1.25 0.73 120.51 124.78 2jie n ALA 56 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2jie n ALA 56 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 2jie n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jie n ASP 58 N -0.86 -6.20 0.32 0.00 2.03 0.22 -4.85 116.55 107.21 2jie n ASP 58 Ca 0.12 -0.34 0.20 0.00 0.52 0.00 0.00 54.79 55.29 2jie n ASP 58 Cb 0.32 -4.98 1.11 0.00 -0.72 0.00 0.00 41.12 36.85 2jie n ASP 58 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2jie h HIS 59 N -1.65 0.00 -0.21 -0.67 -0.00 -0.97 0.09 115.15 111.74 2jie h HIS 59 Ca -0.54 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 59.85 2jie h HIS 59 Cb 1.37 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.77 2jie h HIS 59 CO 0.52 0.00 0.14 0.35 -0.00 0.00 0.00 177.93 178.94 2jie h PHE 60 N 0.00 0.19 0.00 5.26 3.57 -1.28 -0.71 116.94 123.97 2jie h PHE 60 Ca 0.00 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.33 2jie h PHE 60 Cb 0.03 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2jie h PHE 60 CO 0.00 0.12 -1.92 0.72 -2.23 0.00 0.00 178.31 174.99 2jie n HIS 61 N -4.50 0.00 -0.62 0.41 8.25 -0.05 -4.58 115.22 114.13 2jie n HIS 61 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 2jie n HIS 61 Cb 0.14 -0.61 0.34 0.00 1.12 0.00 0.00 29.99 30.98 2jie n HIS 61 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jie n HIS 62 N -2.38 1.39 -0.38 4.41 8.25 -0.79 -4.69 115.22 121.04 2jie n HIS 62 Ca -0.17 -0.62 -0.01 0.00 -0.26 0.00 0.00 57.72 56.66 2jie n HIS 62 Cb 0.79 -0.23 0.12 0.00 1.12 0.00 0.00 29.99 31.78 2jie n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2jie h PHE 63 N 3.85 1.26 -1.00 4.41 -0.00 -1.37 -1.21 116.94 122.88 2jie h PHE 63 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 57.97 58.01 2jie h PHE 63 Cb 1.41 -0.42 -0.05 0.00 -0.00 0.00 0.00 35.95 36.88 2jie h PHE 63 CO 0.72 0.77 0.66 -0.22 -0.00 0.00 0.00 178.31 180.25 2jie h LYS 64 N 1.34 1.32 -0.10 6.09 3.64 -1.87 -0.61 116.57 126.38 2jie h LYS 64 Ca 0.38 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 2jie h LYS 64 Cb -0.11 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.41 2jie h LYS 64 CO -0.09 0.87 -0.36 0.93 -2.27 0.00 0.00 179.45 178.53 2jie h GLU 65 N 1.36 0.41 -0.49 1.90 5.08 -1.85 -2.60 114.58 118.39 2jie h GLU 65 Ca 0.37 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2jie h GLU 65 Cb -0.16 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 2jie h GLU 65 CO -0.08 0.94 0.22 -0.44 -1.00 0.00 0.00 179.01 178.65 2jie h ASP 66 N -0.03 0.29 -0.64 1.42 3.32 -0.81 0.82 116.42 120.80 2jie h ASP 66 Ca -0.02 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2jie h ASP 66 Cb 0.99 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2jie h ASP 66 CO 0.08 0.20 0.13 -0.37 -1.72 0.00 0.00 179.24 177.56 2jie h VAL 67 N 0.43 1.26 -0.59 -1.35 -1.51 -1.19 -0.57 116.25 112.73 2jie h VAL 67 Ca 0.22 -0.98 -0.02 0.00 -1.23 0.00 0.00 66.70 64.70 2jie h VAL 67 Cb 0.17 0.66 -0.03 0.00 -2.13 0.00 0.00 31.29 29.96 2jie h VAL 67 CO -0.18 0.37 0.30 1.56 -1.23 0.00 0.00 177.57 178.38 2jie h GLN 68 N 0.96 0.85 0.00 5.19 4.20 -0.94 -1.38 115.11 123.98 2jie h GLN 68 Ca 0.20 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2jie h GLN 68 Cb 0.40 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2jie h GLN 68 CO 0.01 0.67 -0.10 1.25 -0.67 0.00 0.00 178.83 179.98 2jie h LEU 69 N 0.81 0.00 0.08 1.46 6.46 0.11 -2.41 115.31 121.82 2jie h LEU 69 Ca 0.21 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2jie h LEU 69 Cb 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 2jie h LEU 69 CO -0.03 0.10 -0.04 0.24 -0.62 0.00 0.00 178.44 178.10 2jie h MET 70 N 0.00 -0.10 -0.21 1.25 2.86 -0.01 -2.74 114.93 115.98 2jie h MET 70 Ca -0.00 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2jie h MET 70 Cb 0.23 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.84 2jie h MET 70 CO 0.01 0.30 -0.40 -0.22 1.06 0.00 0.00 176.91 177.67 2jie h LYS 71 N -0.53 -0.40 0.00 1.72 1.63 -0.95 0.15 116.57 118.19 2jie h LYS 71 Ca -0.01 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2jie h LYS 71 Cb 0.45 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2jie h LYS 71 CO 0.02 -0.27 -0.00 -0.56 -3.45 0.00 0.00 179.45 175.19 2jie h GLN 72 N -0.42 0.00 -0.00 1.90 -0.00 -1.56 0.12 115.11 115.15 2jie h GLN 72 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2jie h GLN 72 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.08 2jie h GLN 72 CO -0.44 0.00 -0.09 -0.11 -0.00 0.00 0.00 178.83 178.20 2jie n LEU 73 N -3.10 0.09 0.00 0.06 7.94 0.48 -4.92 117.00 117.55 2jie n LEU 73 Ca -0.02 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 2jie n LEU 73 Cb 0.11 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.61 2jie n LEU 73 CO 0.22 0.02 0.00 0.61 -1.11 0.00 0.00 177.39 177.13 2jie n GLY 74 N 1.49 0.54 3.75 -3.96 0.00 0.42 -4.04 105.19 103.40 2jie n GLY 74 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2jie n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jie s PHE 75 N -2.02 3.88 -0.09 1.61 0.08 -1.14 -4.96 117.98 115.34 2jie s PHE 75 Ca 0.00 1.86 0.10 0.00 0.12 0.00 0.00 56.93 59.01 2jie s PHE 75 Cb 0.00 -3.04 -0.14 0.00 -0.57 0.00 0.00 43.02 39.27 2jie s PHE 75 CO 0.00 0.22 0.24 -0.11 -0.10 0.00 0.00 175.22 175.48 2jie n LEU 76 N 1.34 0.08 -4.22 -0.37 7.94 -1.24 -4.52 117.00 116.01 2jie n LEU 76 Ca -0.01 -0.09 -0.26 0.00 -1.11 0.00 0.00 56.01 54.54 2jie n LEU 76 Cb 0.47 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.27 2jie n LEU 76 CO 0.50 0.02 -0.52 -1.00 -1.11 0.00 0.00 177.39 175.28 2jie s HIS 77 N -2.54 1.79 -0.08 1.96 3.76 -1.10 0.67 115.29 119.76 2jie s HIS 77 Ca -0.02 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.51 2jie s HIS 77 Cb 0.06 -1.13 0.04 0.00 1.11 0.00 0.00 32.58 32.66 2jie s HIS 77 CO 0.40 -0.00 0.07 -0.47 -0.85 0.00 0.00 174.74 173.88 2jie s TYR 78 N -0.54 0.12 -0.25 1.40 5.04 -0.68 -2.59 117.35 119.85 2jie s TYR 78 Ca 0.08 0.09 -0.11 0.00 -2.44 0.00 0.00 57.07 54.68 2jie s TYR 78 Cb -0.08 -0.55 -0.05 0.00 0.35 0.00 0.00 41.96 41.63 2jie s TYR 78 CO -0.00 -0.28 0.18 0.50 -1.34 0.00 0.00 175.55 174.61 2jie s ARG 79 N 2.15 4.05 0.36 4.97 3.52 -0.50 -1.28 118.95 132.22 2jie s ARG 79 Ca 0.04 -0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 2jie s ARG 79 Cb -0.13 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 2jie s ARG 79 CO -0.05 -0.00 0.16 -0.59 -0.81 0.00 0.00 175.30 174.01 2jie s PHE 80 N 1.25 1.74 0.14 5.12 -0.71 -0.53 -1.87 117.98 123.12 2jie s PHE 80 Ca 0.08 -1.36 0.05 0.00 -1.04 0.00 0.00 56.93 54.67 2jie s PHE 80 Cb -0.14 -1.01 -0.04 0.00 -1.21 0.00 0.00 43.02 40.62 2jie s PHE 80 CO 0.06 -0.44 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.84 2jie s SER 81 N -3.50 1.97 -0.16 1.98 1.04 -1.26 -0.12 113.70 113.65 2jie s SER 81 Ca 0.30 -0.93 -0.07 0.00 0.48 0.00 0.00 55.95 55.74 2jie s SER 81 Cb 0.03 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2jie s SER 81 CO 0.18 -0.23 0.08 -0.69 0.98 0.00 0.00 173.24 173.56 2jie s VAL 82 N -2.77 5.00 -0.54 5.02 1.01 -0.91 -4.12 120.40 123.09 2jie s VAL 82 Ca 0.14 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2jie s VAL 82 Cb -0.01 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.18 2jie s VAL 82 CO 0.02 0.52 1.19 0.00 0.00 0.00 0.00 175.10 176.83 2jie s ALA 83 N -0.14 3.05 0.25 5.51 0.00 -1.26 -4.74 121.76 124.42 2jie s ALA 83 Ca 0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 2jie s ALA 83 Cb -0.12 -3.99 0.46 0.00 0.00 0.00 0.00 23.12 19.48 2jie s ALA 83 CO 0.01 -2.52 1.75 2.35 0.00 0.00 0.00 175.76 177.35 2jie h TRP 84 N 9.52 0.65 0.00 0.00 2.91 -1.87 0.15 115.95 127.30 2jie h TRP 84 Ca -0.24 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.81 2jie h TRP 84 Cb 1.06 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.54 2jie h TRP 84 CO 1.01 0.15 0.00 -1.35 -1.03 0.00 0.00 178.44 177.23 2jie h PRO 85 N 0.56 0.00 0.00 2.65 0.11 -1.83 0.22 132.00 133.70 2jie h PRO 85 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2jie h PRO 85 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2jie h PRO 85 CO -0.36 0.00 -0.62 -0.09 -0.21 0.00 0.00 178.00 176.73 2jie h ARG 86 N 0.00 0.00 0.00 1.05 2.43 -1.00 -2.99 114.38 113.86 2jie h ARG 86 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 2jie h ARG 86 Cb 0.13 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 2jie h ARG 86 CO 0.00 0.00 -2.22 -0.89 -1.51 0.00 0.00 179.97 175.35 2jie n ILE 87 N -2.78 1.22 -3.42 1.20 2.08 -0.34 -4.07 119.36 113.26 2jie n ILE 87 Ca 0.02 -0.43 -0.27 0.00 0.56 0.00 0.00 62.75 62.63 2jie n ILE 87 Cb 0.53 -1.38 -0.08 0.00 -0.75 0.00 0.00 39.64 37.96 2jie n ILE 87 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 2jie n MET 88 N -3.33 2.49 0.16 0.38 2.81 0.62 -1.62 117.12 118.63 2jie n MET 88 Ca -0.39 -4.64 0.11 0.00 -1.81 0.00 0.00 57.70 50.97 2jie n MET 88 Cb 0.88 -2.23 0.57 0.00 -0.71 0.00 0.00 33.22 31.73 2jie n MET 88 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2jie n PRO 89 N 0.86 0.14 -3.87 0.03 -0.04 -1.23 -4.66 135.00 126.22 2jie n PRO 89 Ca 0.30 0.64 -0.07 0.00 -0.04 0.00 0.00 63.50 64.32 2jie n PRO 89 Cb 0.41 -1.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.90 2jie n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jie s ALA 90 N -3.54 -1.11 -0.14 0.55 0.00 -1.26 -4.76 121.76 111.51 2jie s ALA 90 Ca -0.02 -0.39 -0.33 0.00 0.00 0.00 0.00 51.96 51.22 2jie s ALA 90 Cb 0.06 0.86 -0.10 0.00 0.00 0.00 0.00 23.12 23.93 2jie s ALA 90 CO 0.19 -1.02 1.99 0.00 0.00 0.00 0.00 175.76 176.92 2jie n ALA 91 N -0.46 1.11 -3.36 0.00 0.00 -1.26 -3.72 120.51 112.81 2jie n ALA 91 Ca -0.04 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.23 2jie n ALA 91 Cb 0.59 -2.59 0.03 0.00 0.00 0.00 0.00 19.45 17.48 2jie n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jie n GLY 92 N 4.95 -0.17 0.00 0.00 0.00 -1.26 -4.97 105.19 103.75 2jie n GLY 92 Ca 0.26 1.09 0.00 0.00 0.00 0.00 0.00 46.02 47.38 2jie n GLY 92 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jie n ILE 93 N -0.08 0.00 -2.57 -0.61 -6.64 -1.24 -5.13 119.36 103.08 2jie n ILE 93 Ca -0.04 0.00 -0.03 0.00 -1.77 0.00 0.00 62.75 60.91 2jie n ILE 93 Cb 0.62 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.80 2jie n ILE 93 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 2jie n ILE 94 N -0.49 -9.09 -3.00 7.28 5.41 -1.26 -4.88 119.36 113.34 2jie n ILE 94 Ca 0.00 1.99 -0.44 0.00 1.00 0.00 0.00 62.75 65.30 2jie n ILE 94 Cb 0.00 -5.01 -0.04 0.00 -0.71 0.00 0.00 39.64 33.87 2jie n ILE 94 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2jie s ASN 95 N -0.43 6.18 0.29 4.38 3.04 -0.64 -4.93 114.94 122.84 2jie s ASN 95 Ca -0.13 -1.23 0.03 0.00 0.04 0.00 0.00 52.86 51.58 2jie s ASN 95 Cb 0.01 -2.35 0.64 0.00 -1.54 0.00 0.00 41.25 38.00 2jie s ASN 95 CO 0.35 -1.25 1.82 -0.08 -3.04 0.00 0.00 177.10 174.90 2jie h GLU 96 N 9.34 0.87 0.00 0.43 4.57 -1.90 0.38 114.58 128.28 2jie h GLU 96 Ca -0.29 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2jie h GLU 96 Cb 1.08 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2jie h GLU 96 CO 1.13 0.58 -0.00 1.49 -1.18 0.00 0.00 179.01 181.03 2jie h GLU 97 N 0.90 0.00 0.10 1.92 4.81 -1.91 0.67 114.58 121.06 2jie h GLU 97 Ca 0.52 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.51 2jie h GLU 97 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2jie h GLU 97 CO -0.30 0.00 -1.24 0.78 -0.73 0.00 0.00 179.01 177.53 2jie h GLY 98 N 0.00 0.24 2.00 1.92 0.00 -1.08 -2.95 103.07 103.20 2jie h GLY 98 Ca -0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2jie h GLY 98 CO 0.00 0.53 -0.02 1.41 0.00 0.00 0.00 176.54 178.46 2jie h LEU 99 N -0.43 0.00 -0.25 3.11 3.38 -1.12 -1.71 115.31 118.30 2jie h LEU 99 Ca -0.27 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.50 2jie h LEU 99 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2jie h LEU 99 CO 0.04 0.02 -0.66 -0.07 0.09 0.00 0.00 178.44 177.86 2jie h LEU 100 N 0.00 0.93 -0.67 1.67 3.38 -0.90 -2.67 115.31 117.04 2jie h LEU 100 Ca -0.00 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.48 2jie h LEU 100 Cb 0.04 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 2jie h LEU 100 CO 0.00 1.34 0.38 0.15 0.09 0.00 0.00 178.44 180.41 2jie h PHE 101 N 0.59 0.70 0.00 1.13 3.57 -1.12 -0.99 116.94 120.82 2jie h PHE 101 Ca -0.02 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2jie h PHE 101 Cb 1.27 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2jie h PHE 101 CO 0.08 0.34 -0.51 1.88 -2.23 0.00 0.00 178.31 177.87 2jie h TYR 102 N 0.71 0.00 0.37 0.41 0.05 -1.59 -1.64 116.97 115.28 2jie h TYR 102 Ca 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.06 2jie h TYR 102 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 2jie h TYR 102 CO -0.07 0.51 -0.18 1.49 -1.05 0.00 0.00 178.16 178.85 2jie h GLU 103 N 0.00 -0.48 -0.59 4.88 4.81 -0.91 0.14 114.58 122.44 2jie h GLU 103 Ca -0.01 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2jie h GLU 103 Cb 0.97 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 2jie h GLU 103 CO 0.07 -0.20 0.39 0.45 -0.73 0.00 0.00 179.01 178.99 2jie h HIS 104 N -0.72 0.62 -0.63 0.92 3.86 -1.18 0.16 115.15 118.18 2jie h HIS 104 Ca -0.05 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2jie h HIS 104 Cb 0.50 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 2jie h HIS 104 CO 0.00 0.35 0.27 1.25 0.86 0.00 0.00 177.93 180.66 2jie h LEU 105 N 0.64 0.86 -1.13 2.43 5.85 -0.92 -2.40 115.31 120.62 2jie h LEU 105 Ca 0.24 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2jie h LEU 105 Cb 0.16 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2jie h LEU 105 CO -0.07 0.78 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.47 2jie h LEU 106 N 0.88 0.26 -0.40 2.25 3.38 0.11 -1.61 115.31 120.19 2jie h LEU 106 Ca 0.21 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jie h LEU 106 Cb 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jie h LEU 106 CO -0.02 0.54 0.25 0.44 0.09 0.00 0.00 178.44 179.74 2jie h ASP 107 N 0.24 0.47 -0.47 -0.43 5.19 -0.65 -1.13 116.42 119.65 2jie h ASP 107 Ca 0.04 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2jie h ASP 107 Cb 0.61 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 2jie h ASP 107 CO 0.04 0.37 0.03 -0.33 -3.12 0.00 0.00 179.24 176.23 2jie h GLU 108 N 0.53 0.80 -0.07 3.56 3.07 -1.17 0.32 114.58 121.63 2jie h GLU 108 Ca 0.14 -0.24 0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2jie h GLU 108 Cb -0.02 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 2jie h GLU 108 CO -0.03 0.84 -0.19 0.82 -1.40 0.00 0.00 179.01 179.05 2jie h ILE 109 N 0.66 0.53 -0.41 3.13 1.08 -0.94 0.98 117.51 122.54 2jie h ILE 109 Ca 0.14 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.45 2jie h ILE 109 Cb 0.46 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 2jie h ILE 109 CO 0.02 0.00 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.81 2jie h GLU 110 N -0.28 0.96 -0.79 2.37 5.08 -1.13 0.24 114.58 121.03 2jie h GLU 110 Ca 0.08 -0.48 0.06 0.00 -1.00 0.00 0.00 59.36 58.02 2jie h GLU 110 Cb 0.39 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2jie h GLU 110 CO -0.23 1.14 0.52 1.25 -1.00 0.00 0.00 179.01 180.69 2jie h LEU 111 N 0.79 0.75 0.00 1.33 5.85 0.12 0.14 115.31 124.29 2jie h LEU 111 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jie h LEU 111 Cb 0.93 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2jie h LEU 111 CO 0.09 0.48 -0.01 0.00 -0.34 0.00 0.00 178.44 178.66 2jie h ALA 112 N 1.57 1.00 -0.25 1.25 0.00 -0.68 -3.48 119.26 118.67 2jie h ALA 112 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2jie h ALA 112 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jie h ALA 112 CO -0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.54 2jie n GLY 113 N 1.20 1.05 3.75 0.00 0.00 0.49 -4.95 105.19 106.72 2jie n GLY 113 Ca 0.05 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2jie n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jie s LEU 114 N -0.25 3.53 -0.34 0.99 1.02 0.00 -4.94 118.68 118.69 2jie s LEU 114 Ca 0.00 -0.45 -0.09 0.00 0.02 0.00 0.00 54.13 53.61 2jie s LEU 114 Cb 0.00 -2.06 0.02 0.00 0.02 0.00 0.00 46.19 44.17 2jie s LEU 114 CO 0.00 -0.06 0.15 -0.63 0.02 0.00 0.00 176.35 175.84 2jie s ILE 115 N -2.23 4.26 0.48 -0.59 -1.09 0.21 -4.36 121.20 117.89 2jie s ILE 115 Ca 0.33 -0.86 -0.10 0.00 -2.23 0.00 0.00 60.65 57.79 2jie s ILE 115 Cb -0.07 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.42 2jie s ILE 115 CO 0.23 -0.14 0.86 -2.16 -1.23 0.00 0.00 174.94 172.50 2jie s PRO 116 N 1.51 3.70 -0.18 2.79 0.04 -1.26 -1.69 135.00 139.91 2jie s PRO 116 Ca 0.01 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2jie s PRO 116 Cb -0.19 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.12 2jie s PRO 116 CO 0.05 -0.22 0.03 1.41 0.04 0.00 0.00 177.00 178.30 2jie s MET 117 N -4.39 0.71 -0.35 4.56 1.75 -0.41 -3.66 119.30 117.51 2jie s MET 117 Ca 0.52 -0.40 -0.18 0.00 -1.25 0.00 0.00 55.69 54.38 2jie s MET 117 Cb -0.10 -2.03 -0.00 0.00 2.84 0.00 0.00 34.83 35.54 2jie s MET 117 CO 0.39 -0.60 0.52 -1.17 -0.65 0.00 0.00 175.02 173.51 2jie s LEU 118 N 1.85 4.33 -0.18 4.11 0.20 -0.92 -1.45 118.68 126.62 2jie s LEU 118 Ca -0.01 0.00 -0.22 0.00 0.69 0.00 0.00 54.13 54.59 2jie s LEU 118 Cb -0.17 -2.60 -0.02 0.00 -0.43 0.00 0.00 46.19 42.98 2jie s LEU 118 CO -0.08 -0.48 0.70 -0.89 -0.29 0.00 0.00 176.35 175.31 2jie s THR 119 N 2.40 4.98 -0.02 3.68 2.01 0.82 -2.05 115.64 127.47 2jie s THR 119 Ca 0.19 1.34 -0.22 0.00 0.31 0.00 0.00 61.69 63.31 2jie s THR 119 Cb -0.15 -4.01 -0.14 0.00 0.01 0.00 0.00 72.50 68.20 2jie s THR 119 CO 0.13 0.09 0.95 -0.07 -0.69 0.00 0.00 174.62 175.04 2jie h LEU 120 N 8.17 -0.34 -8.03 4.42 3.38 -0.90 -2.41 115.31 119.60 2jie h LEU 120 Ca -0.31 -0.20 -0.67 0.00 0.09 0.00 0.00 57.88 56.79 2jie h LEU 120 Cb 1.14 0.09 -0.35 0.00 0.09 0.00 0.00 40.66 41.63 2jie h LEU 120 CO 0.79 0.12 -0.84 -0.47 0.09 0.00 0.00 178.44 178.14 2jie s TYR 121 N -3.88 2.92 -0.41 1.13 5.04 -0.73 -4.34 117.35 117.08 2jie s TYR 121 Ca -0.12 -1.79 0.10 0.00 -2.44 0.00 0.00 57.07 52.82 2jie s TYR 121 Cb 0.01 -1.94 0.41 0.00 0.35 0.00 0.00 41.96 40.80 2jie s TYR 121 CO 0.45 -0.82 0.99 1.58 -1.34 0.00 0.00 175.55 176.41 2jie n HIS 122 N 4.58 2.41 -0.34 4.97 -0.00 -1.26 -1.88 115.22 123.71 2jie n HIS 122 Ca -0.19 -3.22 0.00 0.00 0.46 0.00 0.00 57.72 54.78 2jie n HIS 122 Cb 0.48 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 2jie n HIS 122 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2jie n TRP 123 N -0.23 0.00 -2.05 1.57 8.01 -1.26 -4.88 117.44 118.60 2jie n TRP 123 Ca 0.27 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 56.08 2jie n TRP 123 Cb 0.67 -0.26 -0.00 0.00 -2.01 0.00 0.00 31.31 29.71 2jie n TRP 123 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2jie n ASP 124 N 0.00 7.49 -4.77 -0.99 5.75 -1.26 -4.73 116.55 118.03 2jie n ASP 124 Ca 0.00 -3.38 -0.41 0.00 -0.01 0.00 0.00 54.79 50.99 2jie n ASP 124 Cb 0.00 -1.25 -0.01 0.00 -1.03 0.00 0.00 41.12 38.83 2jie n ASP 124 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jie s LEU 125 N -2.95 4.33 0.20 -2.12 2.96 -1.26 -4.19 118.68 115.66 2jie s LEU 125 Ca 0.51 2.99 -0.32 0.00 -0.22 0.00 0.00 54.13 57.09 2jie s LEU 125 Cb 0.26 -3.65 -0.12 0.00 0.50 0.00 0.00 46.19 43.17 2jie s LEU 125 CO -0.17 -0.86 1.73 -2.84 -1.32 0.00 0.00 176.35 172.89 2jie s PRO 126 N -1.49 4.12 0.40 0.98 0.02 -1.26 0.66 135.00 138.43 2jie s PRO 126 Ca 0.56 2.61 0.10 0.00 0.02 0.00 0.00 61.00 64.29 2jie s PRO 126 Cb -0.46 -3.11 0.90 0.00 0.02 0.00 0.00 34.50 31.85 2jie s PRO 126 CO 0.57 -0.76 1.99 0.37 -0.33 0.00 0.00 177.00 178.84 2jie h GLN 127 N 6.92 0.54 0.00 5.54 5.75 -1.36 0.13 115.11 132.63 2jie h GLN 127 Ca -0.43 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.03 2jie h GLN 127 Cb 1.20 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 2jie h GLN 127 CO 0.96 0.36 -0.04 0.11 -2.65 0.00 0.00 178.83 177.56 2jie h TRP 128 N 0.55 0.00 0.14 3.99 5.08 -1.90 -0.84 115.95 122.97 2jie h TRP 128 Ca 0.27 0.00 -0.28 0.00 1.08 0.00 0.00 58.89 59.95 2jie h TRP 128 Cb 0.33 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.50 2jie h TRP 128 CO -0.00 0.04 -1.27 0.82 -1.28 0.00 0.00 178.44 176.75 2jie h ILE 129 N 0.00 1.47 0.00 0.12 2.04 -1.10 -3.18 117.51 116.85 2jie h ILE 129 Ca -0.00 -3.03 -0.04 0.00 1.00 0.00 0.00 64.86 62.79 2jie h ILE 129 Cb 0.17 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2jie h ILE 129 CO 0.01 0.89 -0.21 -0.08 0.00 0.00 0.00 178.15 178.75 2jie h GLU 130 N 0.08 0.00 -0.53 2.37 4.57 -0.94 -1.00 114.58 119.13 2jie h GLU 130 Ca -0.15 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 2jie h GLU 130 Cb 1.99 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.56 2jie h GLU 130 CO 0.21 0.21 0.10 -0.44 -1.18 0.00 0.00 179.01 177.91 2jie h ASP 131 N 0.00 0.77 0.62 1.04 3.32 -1.19 -1.45 116.42 119.54 2jie h ASP 131 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2jie h ASP 131 Cb 0.51 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2jie h ASP 131 CO 0.03 0.78 0.00 -0.62 -1.72 0.00 0.00 179.24 177.71 2jie n GLU 132 N -4.26 0.21 0.00 3.56 1.02 -0.82 -4.80 120.64 115.54 2jie n GLU 132 Ca 0.04 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2jie n GLU 132 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2jie n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jie n GLY 133 N 0.90 0.98 7.00 0.62 0.00 -0.56 -4.92 105.19 109.21 2jie n GLY 133 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jie n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jie n GLY 134 N 0.00 3.16 0.00 -0.02 0.00 -0.44 -2.54 105.19 105.35 2jie n GLY 134 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2jie n GLY 134 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jie n TRP 135 N 14.00 0.00 1.85 1.61 7.02 -1.26 -2.58 117.44 138.08 2jie n TRP 135 Ca 0.00 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.62 2jie n TRP 135 Cb 0.00 -0.39 0.75 0.00 -2.42 0.00 0.00 31.31 29.25 2jie n TRP 135 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2jie n THR 136 N -1.39 0.01 -5.04 -0.99 -2.24 -1.05 -4.04 114.28 99.53 2jie n THR 136 Ca 0.05 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 2jie n THR 136 Cb 0.13 -0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 67.99 2jie n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jie s GLN 137 N -1.99 3.18 0.27 -0.78 -1.52 -1.06 -4.93 119.66 112.82 2jie s GLN 137 Ca 0.41 -0.80 -0.01 0.00 -1.95 0.00 0.00 55.36 53.01 2jie s GLN 137 Cb 0.20 -2.43 0.51 0.00 -0.22 0.00 0.00 33.01 31.06 2jie s GLN 137 CO 0.33 0.20 1.81 0.00 -0.25 0.00 0.00 175.29 177.38 2jie h ARG 138 N 6.69 0.84 -0.63 2.91 2.47 -1.89 -0.81 114.38 123.97 2jie h ARG 138 Ca -0.22 -0.05 0.18 0.00 -1.26 0.00 0.00 59.98 58.63 2jie h ARG 138 Cb 1.23 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.33 2jie h ARG 138 CO 0.50 0.56 0.54 0.93 0.56 0.00 0.00 179.97 183.06 2jie h GLU 139 N 0.86 0.00 0.00 0.04 5.08 -1.94 0.55 114.58 119.17 2jie h GLU 139 Ca 0.46 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 2jie h GLU 139 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jie h GLU 139 CO -0.28 0.00 -0.13 1.15 -1.00 0.00 0.00 179.01 178.75 2jie h THR 140 N 0.00 0.71 -0.10 1.13 2.02 -1.40 0.47 112.91 115.75 2jie h THR 140 Ca 0.30 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 2jie h THR 140 Cb 1.38 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 2jie h THR 140 CO -0.00 0.13 -0.31 0.40 0.37 0.00 0.00 175.52 176.10 2jie h ILE 141 N 0.00 1.26 -0.30 3.11 2.04 -0.01 -1.72 117.51 121.89 2jie h ILE 141 Ca -0.00 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.53 2jie h ILE 141 Cb 0.31 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2jie h ILE 141 CO 0.02 0.37 -0.22 -0.61 0.00 0.00 0.00 178.15 177.70 2jie h GLN 142 N 0.16 0.69 -0.42 2.37 5.75 -0.98 -2.00 115.11 120.68 2jie h GLN 142 Ca 0.02 -0.33 0.03 0.00 -0.15 0.00 0.00 58.65 58.22 2jie h GLN 142 Cb 0.64 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 2jie h GLN 142 CO 0.05 0.94 0.28 0.45 -2.65 0.00 0.00 178.83 177.89 2jie h HIS 143 N 0.44 0.45 -0.29 3.99 3.86 -1.09 -1.41 115.15 121.10 2jie h HIS 143 Ca 0.06 0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 59.11 2jie h HIS 143 Cb 0.77 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 2jie h HIS 143 CO 0.07 0.27 -0.49 0.35 0.86 0.00 0.00 177.93 178.98 2jie h PHE 144 N 0.47 1.00 -0.51 2.45 3.57 -1.00 -2.38 116.94 120.55 2jie h PHE 144 Ca 0.17 -0.33 0.03 0.00 3.53 0.00 0.00 57.97 61.36 2jie h PHE 144 Cb 0.09 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 2jie h PHE 144 CO -0.00 1.13 0.29 -0.22 -2.23 0.00 0.00 178.31 177.29 2jie h LYS 145 N 0.64 0.56 0.21 1.11 3.64 -0.54 0.47 116.57 122.64 2jie h LYS 145 Ca 0.03 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2jie h LYS 145 Cb 1.08 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2jie h LYS 145 CO 0.11 0.37 -0.31 1.15 -2.27 0.00 0.00 179.45 178.49 2jie h THR 146 N 0.58 0.34 -0.13 1.00 2.02 -1.20 0.22 112.91 115.73 2jie h THR 146 Ca 0.21 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.43 2jie h THR 146 Cb 0.05 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 2jie h THR 146 CO -0.11 0.00 -0.12 0.22 0.37 0.00 0.00 175.52 175.89 2jie h TYR 147 N -0.59 -0.29 -0.71 3.16 3.20 -0.91 -2.35 116.97 118.49 2jie h TYR 147 Ca 0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2jie h TYR 147 Cb 0.58 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 2jie h TYR 147 CO -0.24 -0.17 0.36 0.00 -1.64 0.00 0.00 178.16 176.47 2jie h ALA 148 N 0.95 1.30 0.42 1.82 0.00 0.14 -2.62 119.26 121.27 2jie h ALA 148 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jie h ALA 148 Cb 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jie h ALA 148 CO -0.21 0.56 -0.20 1.03 0.00 0.00 0.00 179.25 180.42 2jie h SER 149 N 1.00 -0.48 -0.61 0.00 0.87 -0.62 -1.72 113.55 111.99 2jie h SER 149 Ca 0.25 -0.08 0.12 0.00 -1.23 0.00 0.00 61.79 60.85 2jie h SER 149 Cb 0.07 0.12 -0.12 0.00 -0.44 0.00 0.00 62.40 62.03 2jie h SER 149 CO -0.04 -0.20 -0.23 0.58 -0.53 0.00 0.00 176.83 176.42 2jie h VAL 150 N -0.77 0.28 -0.33 2.23 2.07 -1.36 0.64 116.25 119.01 2jie h VAL 150 Ca -0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2jie h VAL 150 Cb 0.53 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2jie h VAL 150 CO 0.10 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.99 2jie h ILE 151 N -0.07 1.23 -0.07 4.57 2.04 -1.45 0.13 117.51 123.89 2jie h ILE 151 Ca 0.28 -1.00 -0.16 0.00 1.00 0.00 0.00 64.86 64.99 2jie h ILE 151 Cb 0.51 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2jie h ILE 151 CO -0.67 0.33 -0.64 0.24 0.00 0.00 0.00 178.15 177.42 2jie h MET 152 N 0.52 0.26 0.23 2.37 2.86 -0.14 -2.34 114.93 118.70 2jie h MET 152 Ca 0.10 -0.19 -0.33 0.00 -2.06 0.00 0.00 59.70 57.22 2jie h MET 152 Cb 0.47 0.03 0.03 0.00 0.06 0.00 0.00 31.60 32.20 2jie h MET 152 CO 0.03 0.82 -1.47 -0.44 1.06 0.00 0.00 176.91 176.90 2jie h ASP 153 N 0.19 0.77 0.55 1.22 3.45 -0.77 -3.11 116.42 118.72 2jie h ASP 153 Ca -0.01 -0.93 -0.01 0.00 0.43 0.00 0.00 57.03 56.51 2jie h ASP 153 Cb 1.17 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 39.69 2jie h ASP 153 CO 0.10 1.70 -0.04 -0.09 -1.57 0.00 0.00 179.24 179.34 2jie h ARG 154 N 0.08 0.00 0.00 3.56 9.65 -0.77 -3.44 114.38 123.46 2jie h ARG 154 Ca -0.26 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2jie h ARG 154 Cb 2.10 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.68 2jie h ARG 154 CO 0.24 0.04 0.00 1.19 2.80 0.00 0.00 179.97 184.24 2jie n PHE 155 N -3.24 0.00 0.00 2.20 3.01 -0.88 -4.95 117.46 113.60 2jie n PHE 155 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2jie n PHE 155 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2jie n PHE 155 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jie n GLY 156 N 1.45 1.60 0.44 1.37 0.00 -1.18 -4.64 105.19 104.24 2jie n GLY 156 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.84 2jie n GLY 156 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jie n GLU 157 N 0.00 1.55 0.00 1.61 1.02 -1.26 -3.55 120.64 120.00 2jie n GLU 157 Ca 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 2jie n GLU 157 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2jie n GLU 157 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jie n ARG 158 N 0.08 0.00 -3.74 3.49 1.74 -1.26 -5.06 116.66 111.91 2jie n ARG 158 Ca 0.07 -0.11 -0.37 0.00 -0.77 0.00 0.00 57.85 56.67 2jie n ARG 158 Cb 0.22 -0.44 -0.12 0.00 -1.02 0.00 0.00 32.46 31.09 2jie n ARG 158 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jie s ILE 159 N 0.00 4.26 -0.04 0.55 -1.09 -1.23 -4.86 121.20 118.78 2jie s ILE 159 Ca 0.00 -0.33 0.13 0.00 -2.23 0.00 0.00 60.65 58.22 2jie s ILE 159 Cb 0.00 -3.06 -0.12 0.00 -1.58 0.00 0.00 42.46 37.70 2jie s ILE 159 CO 0.00 0.24 1.11 0.78 -1.23 0.00 0.00 174.94 175.84 2jie h ASN 160 N 8.25 0.00 -3.51 3.58 4.21 -1.90 -3.35 115.58 122.86 2jie h ASN 160 Ca -0.36 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 56.86 2jie h ASN 160 Cb 1.16 0.00 -0.33 0.00 -1.12 0.00 0.00 38.32 38.03 2jie h ASN 160 CO 0.59 0.76 -0.70 0.26 -1.29 0.00 0.00 177.43 177.05 2jie s TRP 161 N -2.81 -0.01 -0.15 1.19 0.52 -1.24 -0.46 118.94 115.97 2jie s TRP 161 Ca -0.00 0.20 -0.03 0.00 0.02 0.00 0.00 56.10 56.29 2jie s TRP 161 Cb 0.09 -0.20 -0.02 0.00 -1.15 0.00 0.00 33.47 32.18 2jie s TRP 161 CO 0.80 -0.10 -0.06 -1.58 0.02 0.00 0.00 176.95 176.03 2jie s TRP 162 N 1.08 2.97 -0.38 -1.98 0.52 0.87 -2.16 118.94 119.86 2jie s TRP 162 Ca -0.09 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 55.62 2jie s TRP 162 Cb -0.12 -1.94 0.10 0.00 -1.15 0.00 0.00 33.47 30.36 2jie s TRP 162 CO -0.04 -0.10 0.15 1.21 0.02 0.00 0.00 176.95 178.20 2jie s ASN 163 N 0.41 5.13 0.00 2.95 3.04 -0.87 -0.82 114.94 124.78 2jie s ASN 163 Ca -0.05 -1.96 0.00 0.00 0.04 0.00 0.00 52.86 50.89 2jie s ASN 163 Cb -0.15 -1.78 0.00 0.00 -1.54 0.00 0.00 41.25 37.78 2jie s ASN 163 CO 0.03 -0.48 0.68 0.35 -3.04 0.00 0.00 177.10 174.64 2jie n THR 164 N 4.54 0.00 -5.01 -5.21 -2.24 0.06 -0.81 114.28 105.60 2jie n THR 164 Ca -0.02 1.18 -0.32 0.00 -2.27 0.00 0.00 64.05 62.61 2jie n THR 164 Cb 0.42 -2.15 -0.15 0.00 -2.10 0.00 0.00 70.33 66.35 2jie n THR 164 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jie s ILE 165 N -1.72 2.68 -0.26 2.28 1.09 -1.26 -1.77 121.20 122.24 2jie s ILE 165 Ca 0.00 -0.84 -0.12 0.00 -1.10 0.00 0.00 60.65 58.59 2jie s ILE 165 Cb 0.00 -2.04 -0.05 0.00 -1.06 0.00 0.00 42.46 39.31 2jie s ILE 165 CO 0.00 0.57 0.24 0.21 -0.10 0.00 0.00 174.94 175.86 2jie s ASN 166 N -0.31 6.13 -0.73 3.58 3.84 -0.79 -1.12 114.94 125.55 2jie s ASN 166 Ca 0.02 0.13 -0.08 0.00 0.21 0.00 0.00 52.86 53.13 2jie s ASN 166 Cb -0.13 -2.15 0.01 0.00 -0.55 0.00 0.00 41.25 38.44 2jie s ASN 166 CO 0.02 -0.06 0.63 -0.62 -2.79 0.00 0.00 177.10 174.28 2jie n GLU 167 N 4.91 -1.63 0.06 0.43 1.02 0.47 -4.77 120.64 121.13 2jie n GLU 167 Ca -0.12 1.05 0.20 0.00 -0.02 0.00 0.00 57.16 58.26 2jie n GLU 167 Cb 0.52 -2.85 0.74 0.00 -0.02 0.00 0.00 31.44 29.83 2jie n GLU 167 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jie h PRO 168 N 0.38 0.00 -0.49 3.49 0.11 -1.85 -2.30 132.00 131.33 2jie h PRO 168 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2jie h PRO 168 Cb 1.33 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 2jie h PRO 168 CO 0.33 0.00 0.23 -0.92 -0.21 0.00 0.00 178.00 177.42 2jie h TYR 169 N 0.00 0.72 0.03 0.65 3.20 -1.93 -2.42 116.97 117.22 2jie h TYR 169 Ca 0.21 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2jie h TYR 169 Cb 0.97 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2jie h TYR 169 CO 0.00 0.58 -0.01 0.00 -1.64 0.00 0.00 178.16 177.09 2jie h ALA 171 N 0.61 1.22 0.00 0.00 0.00 -1.55 -2.29 119.26 117.25 2jie h ALA 171 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jie h ALA 171 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jie h ALA 171 CO 0.01 0.07 -0.63 -1.13 0.00 0.00 0.00 179.25 177.57 2jie n SER 172 N -3.47 1.37 0.09 0.00 3.41 -0.92 -3.94 113.62 110.17 2jie n SER 172 Ca -0.02 0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.69 2jie n SER 172 Cb 0.17 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 2jie n SER 172 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2jie h ILE 173 N -0.63 0.67 0.00 -1.33 1.08 -1.16 -1.24 117.51 114.91 2jie h ILE 173 Ca 0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.32 2jie h ILE 173 Cb 0.63 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 2jie h ILE 173 CO 0.00 0.00 -0.71 -0.07 -0.69 0.00 0.00 178.15 176.68 2jie h LEU 174 N -0.28 0.00 0.16 1.44 3.38 -1.46 -0.62 115.31 117.92 2jie h LEU 174 Ca 0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.69 2jie h LEU 174 Cb 0.30 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.07 2jie h LEU 174 CO -0.07 0.71 -1.32 1.23 0.09 0.00 0.00 178.44 179.07 2jie h GLY 175 N 3.13 0.48 0.00 0.83 0.00 -1.39 -1.18 103.07 104.94 2jie h GLY 175 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.15 2jie h GLY 175 CO 0.09 1.03 -0.59 -1.72 0.00 0.00 0.00 176.54 175.36 2jie n TYR 176 N -3.64 0.00 -0.11 5.60 4.01 -0.47 -1.30 117.16 121.25 2jie n TYR 176 Ca -0.12 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.44 2jie n TYR 176 Cb 1.04 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.97 2jie n TYR 176 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jie n GLY 177 N 1.60 -0.59 0.00 2.72 0.00 -0.32 0.17 105.19 108.77 2jie n GLY 177 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2jie n GLY 177 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jie n THR 178 N -4.39 0.02 -0.93 2.61 -2.24 -0.70 -3.77 114.28 104.88 2jie n THR 178 Ca -0.31 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2jie n THR 178 Cb 0.65 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2jie n THR 178 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jie n GLY 179 N 1.48 0.39 0.23 3.38 0.00 -0.79 -4.89 105.19 104.99 2jie n GLY 179 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2jie n GLY 179 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jie h GLU 180 N 0.98 0.00 -5.50 1.61 5.08 -1.70 -3.42 114.58 111.63 2jie h GLU 180 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 2jie h GLU 180 Cb 0.28 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.39 2jie h GLU 180 CO 0.00 0.01 -0.59 -1.01 -1.00 0.00 0.00 179.01 176.42 2jie s HIS 181 N -3.27 2.31 0.48 4.33 3.76 -0.51 -4.75 115.29 117.64 2jie s HIS 181 Ca 0.06 -0.78 -0.20 0.00 -0.15 0.00 0.00 55.06 53.99 2jie s HIS 181 Cb 0.06 -1.65 -0.09 0.00 1.11 0.00 0.00 32.58 32.01 2jie s HIS 181 CO 0.65 0.32 1.01 0.00 -0.85 0.00 0.00 174.74 175.87 2jie s ALA 182 N -2.85 2.93 -1.16 -1.40 0.00 -1.26 -0.99 121.76 117.02 2jie s ALA 182 Ca 0.31 0.49 0.17 0.00 0.00 0.00 0.00 51.96 52.93 2jie s ALA 182 Cb 0.08 -3.21 0.78 0.00 0.00 0.00 0.00 23.12 20.78 2jie s ALA 182 CO 0.15 -0.20 1.53 -0.35 0.00 0.00 0.00 175.76 176.89 2jie n PRO 183 N -0.99 0.10 -0.83 0.00 -0.04 -1.24 -4.45 135.00 127.55 2jie n PRO 183 Ca 0.08 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2jie n PRO 183 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2jie n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jie n GLY 184 N 0.22 1.32 3.88 0.55 0.00 -0.16 -4.86 105.19 106.14 2jie n GLY 184 Ca 0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 2jie n GLY 184 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jie s HIS 185 N -2.01 3.55 -0.55 1.61 3.76 -0.42 -4.60 115.29 116.65 2jie s HIS 185 Ca 0.00 1.04 0.06 0.00 -0.15 0.00 0.00 55.06 56.01 2jie s HIS 185 Cb 0.00 -2.48 0.21 0.00 1.11 0.00 0.00 32.58 31.42 2jie s HIS 185 CO 0.00 -0.35 0.53 0.39 -0.85 0.00 0.00 174.74 174.46 2jie n GLU 186 N -2.11 1.36 -3.39 1.40 1.02 -0.99 -1.88 120.64 116.06 2jie n GLU 186 Ca 0.03 -3.93 -0.13 0.00 -0.02 0.00 0.00 57.16 53.11 2jie n GLU 186 Cb 0.54 -1.88 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 2jie n GLU 186 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jie s ASN 187 N -1.31 0.73 0.57 1.62 3.84 0.13 -4.95 114.94 115.57 2jie s ASN 187 Ca 0.33 -0.07 0.31 0.00 0.21 0.00 0.00 52.86 53.64 2jie s ASN 187 Cb 0.08 0.84 1.74 0.00 -0.55 0.00 0.00 41.25 43.36 2jie s ASN 187 CO -0.12 -0.32 2.19 -0.50 -2.79 0.00 0.00 177.10 175.56 2jie h TRP 188 N 8.23 0.00 -0.01 0.43 4.06 -1.84 -1.07 115.95 125.75 2jie h TRP 188 Ca -0.17 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.65 2jie h TRP 188 Cb 1.14 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.28 2jie h TRP 188 CO 0.16 0.05 -0.59 -0.09 -3.56 0.00 0.00 178.44 174.40 2jie h ARG 189 N 0.00 0.03 0.13 0.49 2.43 -1.94 -2.69 114.38 112.83 2jie h ARG 189 Ca -0.00 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 2jie h ARG 189 Cb 0.15 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2jie h ARG 189 CO 0.01 0.61 -1.06 0.93 -1.51 0.00 0.00 179.97 178.95 2jie h GLU 190 N 0.02 0.49 -0.52 0.20 5.08 -1.55 -2.89 114.58 115.40 2jie h GLU 190 Ca -0.01 -0.70 0.05 0.00 -1.00 0.00 0.00 59.36 57.71 2jie h GLU 190 Cb 1.05 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 2jie h GLU 190 CO 0.08 1.31 0.25 0.00 -1.00 0.00 0.00 179.01 179.65 2jie h ALA 191 N 0.21 0.67 -0.04 3.43 0.00 -1.32 0.43 119.26 122.65 2jie h ALA 191 Ca -0.17 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2jie h ALA 191 Cb 1.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2jie h ALA 191 CO 0.20 -0.11 -0.60 0.74 0.00 0.00 0.00 179.25 179.47 2jie h PHE 192 N 0.48 0.16 -0.33 0.00 0.05 -1.58 0.91 116.94 116.64 2jie h PHE 192 Ca 0.24 -0.06 -0.15 0.00 3.82 0.00 0.00 57.97 61.82 2jie h PHE 192 Cb 0.18 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.10 2jie h PHE 192 CO -0.12 0.70 -0.37 1.15 -0.18 0.00 0.00 178.31 179.49 2jie h THR 193 N 0.09 1.29 -0.43 -1.55 2.02 -1.20 -1.97 112.91 111.17 2jie h THR 193 Ca -0.01 -1.55 -0.10 0.00 0.77 0.00 0.00 66.41 65.52 2jie h THR 193 Cb 1.09 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 2jie h THR 193 CO 0.09 0.51 -0.15 0.00 0.37 0.00 0.00 175.52 176.33 2jie h ALA 194 N 0.72 0.92 -0.21 6.16 0.00 0.04 -1.06 119.26 125.83 2jie h ALA 194 Ca 0.05 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2jie h ALA 194 Cb 0.96 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2jie h ALA 194 CO 0.09 0.62 -0.21 0.00 0.00 0.00 0.00 179.25 179.75 2jie h ALA 195 N 1.11 1.25 -0.09 0.00 0.00 -0.69 -1.42 119.26 119.42 2jie h ALA 195 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2jie h ALA 195 Cb 0.66 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jie h ALA 195 CO 0.05 0.49 -0.06 1.25 0.00 0.00 0.00 179.25 180.98 2jie h HIS 196 N 0.35 0.23 -0.42 0.00 6.17 -0.88 -2.16 115.15 118.44 2jie h HIS 196 Ca 0.06 -0.06 -0.08 0.00 0.71 0.00 0.00 60.37 61.00 2jie h HIS 196 Cb 0.57 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.43 2jie h HIS 196 CO 0.01 0.59 -0.06 0.45 0.71 0.00 0.00 177.93 179.63 2jie h HIS 197 N -0.20 0.76 -0.09 5.26 3.86 -1.04 -1.80 115.15 121.90 2jie h HIS 197 Ca 0.02 -0.12 -0.18 0.00 -1.16 0.00 0.00 60.37 58.93 2jie h HIS 197 Cb 0.53 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2jie h HIS 197 CO 0.08 0.75 -0.72 0.97 0.86 0.00 0.00 177.93 179.87 2jie h ILE 198 N 0.66 1.37 -0.15 2.45 2.10 -1.30 -2.21 117.51 120.43 2jie h ILE 198 Ca 0.12 -2.10 -0.07 0.00 1.08 0.00 0.00 64.86 63.89 2jie h ILE 198 Cb 0.49 2.08 -0.01 0.00 -1.09 0.00 0.00 36.82 38.29 2jie h ILE 198 CO 0.03 0.64 -0.23 -0.07 -1.08 0.00 0.00 178.15 177.43 2jie h LEU 199 N 0.30 0.25 -0.46 2.19 3.38 -1.19 -2.27 115.31 117.51 2jie h LEU 199 Ca -0.03 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 2jie h LEU 199 Cb 1.30 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2jie h LEU 199 CO 0.13 0.49 -0.44 0.24 0.09 0.00 0.00 178.44 178.94 2jie h MET 200 N 0.24 0.78 -0.02 1.13 2.86 -1.05 -2.67 114.93 116.20 2jie h MET 200 Ca 0.04 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2jie h MET 200 Cb 0.54 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 2jie h MET 200 CO 0.04 1.06 0.13 0.00 1.06 0.00 0.00 176.91 179.20 2jie h HIS 202 N 0.00 0.96 -0.46 0.00 6.17 -1.36 -2.23 115.15 118.23 2jie h HIS 202 Ca 0.01 -0.42 -0.13 0.00 0.71 0.00 0.00 60.37 60.54 2jie h HIS 202 Cb 0.27 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 2jie h HIS 202 CO 0.00 1.24 -0.21 0.78 0.71 0.00 0.00 177.93 180.45 2jie h GLY 203 N 0.40 1.01 0.49 5.26 0.00 0.02 -1.35 103.07 108.90 2jie h GLY 203 Ca -0.05 -0.87 0.06 0.00 0.00 0.00 0.00 47.33 46.46 2jie h GLY 203 CO 0.14 0.80 -0.01 -2.22 0.00 0.00 0.00 176.54 175.25 2jie h ILE 204 N 0.81 0.76 -0.20 2.60 1.08 -0.30 0.15 117.51 122.40 2jie h ILE 204 Ca 0.11 -0.03 -0.13 0.00 -0.39 0.00 0.00 64.86 64.42 2jie h ILE 204 Cb 0.76 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 2jie h ILE 204 CO 0.06 0.01 -0.42 0.00 -0.69 0.00 0.00 178.15 177.11 2jie h ALA 205 N 1.28 0.89 -0.21 1.87 0.00 -1.32 -1.51 119.26 120.25 2jie h ALA 205 Ca 0.15 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2jie h ALA 205 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jie h ALA 205 CO -0.26 0.64 -0.19 0.77 0.00 0.00 0.00 179.25 180.21 2jie h SER 206 N 0.40 0.37 0.02 0.00 0.02 -0.39 -0.31 113.55 113.66 2jie h SER 206 Ca 0.03 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2jie h SER 206 Cb 0.91 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2jie h SER 206 CO 0.08 0.58 -0.01 0.78 -1.14 0.00 0.00 176.83 177.11 2jie h ASN 207 N 0.34 -0.03 -0.27 3.07 -0.26 -0.42 -2.64 115.58 115.38 2jie h ASN 207 Ca 0.06 -0.61 0.08 0.00 -0.56 0.00 0.00 56.30 55.27 2jie h ASN 207 Cb 0.54 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.80 2jie h ASN 207 CO 0.04 0.61 0.26 -0.07 -1.06 0.00 0.00 177.43 177.21 2jie h LEU 208 N -0.68 0.00 -0.08 1.61 3.38 -1.18 -0.59 115.31 117.77 2jie h LEU 208 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jie h LEU 208 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jie h LEU 208 CO 0.00 0.00 -0.10 -0.74 0.09 0.00 0.00 178.44 177.70 2jie h HIS 209 N 0.00 0.26 -0.29 1.13 2.76 -0.91 -2.25 115.15 115.84 2jie h HIS 209 Ca 0.13 -0.08 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 2jie h HIS 209 Cb 0.65 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2jie h HIS 209 CO 0.00 0.67 -0.22 0.87 -1.30 0.00 0.00 177.93 177.95 2jie h LYS 210 N -0.23 0.66 -0.79 5.26 1.79 -0.86 -2.71 116.57 119.69 2jie h LYS 210 Ca 0.01 -0.32 -0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2jie h LYS 210 Cb 0.63 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 2jie h LYS 210 CO 0.02 0.92 0.48 0.93 -1.08 0.00 0.00 179.45 180.73 2jie h GLU 211 N 0.41 1.06 0.00 3.15 5.08 -1.22 -0.58 114.58 122.47 2jie h GLU 211 Ca 0.06 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jie h GLU 211 Cb 0.76 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jie h GLU 211 CO 0.06 0.73 0.00 1.63 -1.00 0.00 0.00 179.01 180.43 2jie n LYS 212 N -4.39 0.14 -2.93 2.33 5.02 -0.85 -4.92 118.16 112.57 2jie n LYS 212 Ca 0.08 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.19 2jie n LYS 212 Cb 0.06 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2jie n LYS 212 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jie n GLY 213 N 1.41 -0.29 3.78 0.72 0.00 -0.23 -4.99 105.19 105.61 2jie n GLY 213 Ca 0.09 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2jie n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jie s LEU 214 N -5.56 3.62 -0.03 0.99 1.43 -1.10 -4.98 118.68 113.06 2jie s LEU 214 Ca 0.27 2.02 0.22 0.00 -1.03 0.00 0.00 54.13 55.61 2jie s LEU 214 Cb -0.12 -4.56 -0.33 0.00 0.03 0.00 0.00 46.19 41.21 2jie s LEU 214 CO 0.34 -1.25 0.53 0.35 0.23 0.00 0.00 176.35 176.55 2jie n THR 215 N -1.67 0.00 -1.99 5.49 -2.24 -1.26 -4.93 114.28 107.68 2jie n THR 215 Ca 0.10 -0.45 -0.36 0.00 -2.27 0.00 0.00 64.05 61.07 2jie n THR 215 Cb 0.52 0.10 0.04 0.00 -2.10 0.00 0.00 70.33 68.89 2jie n THR 215 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jie s GLY 216 N -4.36 2.76 0.92 3.38 0.00 -1.26 -4.99 107.32 103.77 2jie s GLY 216 Ca -0.06 1.04 -0.10 0.00 0.00 0.00 0.00 44.72 45.59 2jie s GLY 216 CO 0.91 1.43 1.12 0.54 0.00 0.00 0.00 173.10 177.10 2jie s LYS 217 N -3.32 1.01 -0.11 2.90 3.01 0.39 -4.80 119.74 118.83 2jie s LYS 217 Ca 0.78 1.38 -0.09 0.00 -1.01 0.00 0.00 55.97 57.03 2jie s LYS 217 Cb -0.31 -1.74 0.03 0.00 -1.01 0.00 0.00 37.83 34.80 2jie s LYS 217 CO 0.34 -2.58 0.28 -1.50 0.51 0.00 0.00 175.35 172.40 2jie s ILE 218 N -2.68 -0.01 0.03 2.17 2.07 -1.26 -0.09 121.20 121.43 2jie s ILE 218 Ca 0.66 0.03 -0.28 0.00 -1.41 0.00 0.00 60.65 59.65 2jie s ILE 218 Cb -0.22 -0.40 0.09 0.00 0.13 0.00 0.00 42.46 42.07 2jie s ILE 218 CO 0.58 0.01 0.90 -0.83 -1.91 0.00 0.00 174.94 173.69 2jie s GLY 219 N 0.37 -0.42 0.31 1.50 0.00 0.00 -0.49 107.32 108.60 2jie s GLY 219 Ca -0.02 0.81 0.07 0.00 0.00 0.00 0.00 44.72 45.57 2jie s GLY 219 CO -0.02 0.26 0.36 -1.50 0.00 0.00 0.00 173.10 172.21 2jie s ILE 220 N -3.16 4.11 -0.15 0.90 2.07 -1.26 -0.76 121.20 122.95 2jie s ILE 220 Ca 0.07 -1.16 0.02 0.00 -1.41 0.00 0.00 60.65 58.16 2jie s ILE 220 Cb -0.01 -3.40 0.02 0.00 0.13 0.00 0.00 42.46 39.19 2jie s ILE 220 CO -0.07 -0.21 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.67 2jie s THR 221 N -2.18 1.93 -0.07 4.00 2.01 -0.27 -0.98 115.64 120.08 2jie s THR 221 Ca 0.41 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.56 2jie s THR 221 Cb -0.08 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 2jie s THR 221 CO 0.29 0.52 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.82 2jie s LEU 222 N 1.10 2.62 -0.21 4.42 1.43 -0.36 -0.39 118.68 127.28 2jie s LEU 222 Ca -0.01 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 2jie s LEU 222 Cb -0.14 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 2jie s LEU 222 CO -0.07 0.29 0.60 0.54 0.23 0.00 0.00 176.35 177.94 2jie s ASN 223 N -0.41 6.63 0.26 2.29 4.22 -1.26 -1.71 114.94 124.95 2jie s ASN 223 Ca 0.05 0.76 0.09 0.00 -2.14 0.00 0.00 52.86 51.62 2jie s ASN 223 Cb -0.12 -2.33 -0.05 0.00 1.28 0.00 0.00 41.25 40.02 2jie s ASN 223 CO 0.02 -0.28 -0.14 -0.04 -2.04 0.00 0.00 177.10 174.62 2jie s MET 224 N 2.02 1.55 -0.07 3.55 -1.94 -0.71 -4.80 119.30 118.90 2jie s MET 224 Ca 0.27 -1.73 -0.06 0.00 -1.71 0.00 0.00 55.69 52.46 2jie s MET 224 Cb -0.16 -1.40 0.02 0.00 2.01 0.00 0.00 34.83 35.31 2jie s MET 224 CO 0.10 0.19 0.17 -1.83 -0.01 0.00 0.00 175.02 173.64 2jie s GLU 225 N -3.62 0.19 0.12 2.03 -1.05 -1.26 -4.51 118.70 110.61 2jie s GLU 225 Ca 0.28 0.26 -0.30 0.00 -0.15 0.00 0.00 54.97 55.05 2jie s GLU 225 Cb -0.01 0.07 -0.06 0.00 -0.44 0.00 0.00 34.13 33.69 2jie s GLU 225 CO 0.12 -0.04 1.00 -1.58 0.95 0.00 0.00 175.26 175.71 2jie s HIS 226 N 0.22 3.75 -0.10 4.83 5.65 -1.26 -4.90 115.29 123.48 2jie s HIS 226 Ca -0.01 1.74 0.01 0.00 0.25 0.00 0.00 55.06 57.04 2jie s HIS 226 Cb -0.02 -3.12 -0.02 0.00 -1.18 0.00 0.00 32.58 28.24 2jie s HIS 226 CO -0.01 -0.03 -0.12 0.08 -0.65 0.00 0.00 174.74 174.01 2jie s VAL 227 N -0.02 3.20 0.06 0.89 1.01 -1.26 -1.92 120.40 122.36 2jie s VAL 227 Ca 0.48 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.91 2jie s VAL 227 Cb -0.25 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2jie s VAL 227 CO 0.31 0.55 -0.24 -1.81 0.00 0.00 0.00 175.10 173.90 2jie s ASP 228 N -0.10 2.94 0.37 3.32 1.01 0.02 -4.97 116.67 119.27 2jie s ASP 228 Ca -0.01 -0.60 -0.24 0.00 0.71 0.00 0.00 52.55 52.41 2jie s ASP 228 Cb -0.14 -0.25 -0.10 0.00 1.01 0.00 0.00 42.92 43.45 2jie s ASP 228 CO 0.03 0.21 0.98 0.00 0.21 0.00 0.00 175.17 176.60 2jie s ALA 229 N -0.86 3.13 0.17 5.23 0.00 -1.26 -0.31 121.76 127.86 2jie s ALA 229 Ca 0.10 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 2jie s ALA 229 Cb -0.10 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.86 2jie s ALA 229 CO 0.03 0.05 1.53 0.00 0.00 0.00 0.00 175.76 177.37 2jie h ALA 230 N 2.67 0.68 -3.23 0.00 0.00 0.52 -3.43 119.26 116.48 2jie h ALA 230 Ca -0.48 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 53.92 2jie h ALA 230 Cb 1.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jie h ALA 230 CO 0.63 0.67 -0.07 -1.13 0.00 0.00 0.00 179.25 179.35 2jie n SER 231 N -4.07 -0.18 -0.57 0.00 3.41 -1.26 -5.02 113.62 105.93 2jie n SER 231 Ca -0.01 -1.41 0.12 0.00 -0.26 0.00 0.00 58.87 57.31 2jie n SER 231 Cb 0.51 0.38 0.42 0.00 -0.26 0.00 0.00 64.21 65.26 2jie n SER 231 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jie n GLU 232 N -0.12 1.77 -1.82 4.33 0.00 -1.26 -4.56 120.64 118.98 2jie n GLU 232 Ca 0.01 -1.14 -0.41 0.00 0.00 0.00 0.00 57.16 55.62 2jie n GLU 232 Cb 0.12 -1.45 -0.01 0.00 0.00 0.00 0.00 31.44 30.10 2jie n GLU 232 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2jie s ARG 233 N -1.89 4.14 0.25 3.44 0.52 -1.26 -4.85 118.95 119.31 2jie s ARG 233 Ca 0.35 2.53 -0.05 0.00 -0.52 0.00 0.00 55.73 58.04 2jie s ARG 233 Cb 0.20 -3.03 0.48 0.00 0.52 0.00 0.00 34.95 33.12 2jie s ARG 233 CO 0.30 -0.58 1.65 -1.35 0.02 0.00 0.00 175.30 175.35 2jie h PRO 234 N 4.50 0.17 -0.14 3.54 0.11 -2.00 -0.55 132.00 137.64 2jie h PRO 234 Ca -0.48 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2jie h PRO 234 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2jie h PRO 234 CO 0.76 0.11 -0.14 1.05 -0.21 0.00 0.00 178.00 179.57 2jie h GLU 235 N 0.17 0.22 -0.13 1.05 9.09 -1.98 -0.76 114.58 122.23 2jie h GLU 235 Ca 0.43 -0.05 -0.20 0.00 0.05 0.00 0.00 59.36 59.59 2jie h GLU 235 Cb 0.77 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 2jie h GLU 235 CO -0.60 0.37 -0.72 -0.44 0.05 0.00 0.00 179.01 177.66 2jie h ASP 236 N 0.21 0.71 -0.50 3.06 3.32 -1.46 0.29 116.42 122.05 2jie h ASP 236 Ca 0.04 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 2jie h ASP 236 Cb 0.38 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2jie h ASP 236 CO 0.02 1.22 0.03 0.58 -1.72 0.00 0.00 179.24 179.38 2jie h VAL 237 N 0.42 1.26 -0.46 -1.35 2.07 -0.86 0.08 116.25 117.42 2jie h VAL 237 Ca -0.03 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 2jie h VAL 237 Cb 1.32 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 2jie h VAL 237 CO 0.14 0.36 0.05 0.00 0.02 0.00 0.00 177.57 178.14 2jie h ALA 238 N 0.95 1.23 -0.41 1.67 0.00 -1.05 -1.93 119.26 119.72 2jie h ALA 238 Ca 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2jie h ALA 238 Cb 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jie h ALA 238 CO 0.02 0.52 0.15 0.00 0.00 0.00 0.00 179.25 179.93 2jie h ALA 239 N 1.37 0.53 -0.73 0.00 0.00 -0.34 -2.22 119.26 117.87 2jie h ALA 239 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2jie h ALA 239 Cb 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jie h ALA 239 CO 0.01 0.16 0.31 0.00 0.00 0.00 0.00 179.25 179.73 2jie h ALA 240 N 0.99 0.94 -0.41 0.00 0.00 -0.60 -1.84 119.26 118.35 2jie h ALA 240 Ca 0.13 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2jie h ALA 240 Cb 0.22 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2jie h ALA 240 CO -0.01 0.54 0.16 0.82 0.00 0.00 0.00 179.25 180.76 2jie h ILE 241 N 1.03 0.90 -0.15 0.00 1.08 -1.11 0.17 117.51 119.43 2jie h ILE 241 Ca 0.24 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.60 2jie h ILE 241 Cb 0.18 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 2jie h ILE 241 CO -0.02 0.06 0.08 0.03 -0.69 0.00 0.00 178.15 177.61 2jie h ARG 242 N 0.33 0.21 -0.79 2.37 3.08 -1.16 -1.29 114.38 117.13 2jie h ARG 242 Ca 0.19 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.28 2jie h ARG 242 Cb 0.15 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 2jie h ARG 242 CO -0.18 0.21 0.47 -0.09 -1.07 0.00 0.00 179.97 179.32 2jie h ARG 243 N 0.15 0.84 -0.23 0.04 1.12 -0.97 -0.29 114.38 115.03 2jie h ARG 243 Ca 0.05 -0.05 0.03 0.00 -1.11 0.00 0.00 59.98 58.91 2jie h ARG 243 Cb 0.06 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 29.80 2jie h ARG 243 CO -0.01 0.55 0.04 0.22 -3.11 0.00 0.00 179.97 177.66 2jie h ASP 244 N 0.86 -0.01 0.52 -3.80 1.82 -0.39 -2.32 116.42 113.09 2jie h ASP 244 Ca 0.35 0.04 -0.09 0.00 -0.39 0.00 0.00 57.03 56.93 2jie h ASP 244 Cb 0.19 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2jie h ASP 244 CO -0.18 0.03 -0.45 1.23 -1.61 0.00 0.00 179.24 178.26 2jie h GLY 245 N 0.12 0.00 1.00 -0.78 0.00 -0.75 -0.34 103.07 102.32 2jie h GLY 245 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 2jie h GLY 245 CO -0.15 0.00 0.23 -2.75 0.00 0.00 0.00 176.54 173.87 2jie h PHE 246 N 0.00 0.96 0.00 5.60 3.57 -0.55 0.33 116.94 126.84 2jie h PHE 246 Ca -0.00 -0.08 -0.39 0.00 3.53 0.00 0.00 57.97 61.03 2jie h PHE 246 Cb 0.83 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 2jie h PHE 246 CO 0.00 0.77 -2.36 -0.89 -2.23 0.00 0.00 178.31 173.60 2jie n ILE 247 N -4.43 1.35 -0.01 1.41 5.41 -0.92 -4.68 119.36 117.48 2jie n ILE 247 Ca 0.04 -0.42 -0.01 0.00 1.00 0.00 0.00 62.75 63.36 2jie n ILE 247 Cb 0.18 -1.60 -0.00 0.00 -0.71 0.00 0.00 39.64 37.51 2jie n ILE 247 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2jie h ASN 248 N -0.49 0.00 -0.76 4.38 -0.26 -1.22 -3.41 115.58 113.83 2jie h ASN 248 Ca -0.58 0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.22 2jie h ASN 248 Cb 1.67 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.88 2jie h ASN 248 CO -0.25 0.11 0.50 0.03 -1.06 0.00 0.00 177.43 176.76 2jie h ARG 249 N -0.16 0.78 0.00 0.81 3.08 -1.51 -0.56 114.38 116.82 2jie h ARG 249 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jie h ARG 249 Cb 0.06 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2jie h ARG 249 CO 0.00 0.52 0.00 2.35 -1.07 0.00 0.00 179.97 181.77 2jie h TRP 250 N 0.80 0.00 0.00 3.04 2.91 -0.60 -0.00 115.95 122.10 2jie h TRP 250 Ca 0.33 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 60.21 2jie h TRP 250 Cb 0.25 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.87 2jie h TRP 250 CO -0.00 0.00 -1.53 1.19 -1.03 0.00 0.00 178.44 177.07 2jie n PHE 251 N -2.82 0.00 0.07 2.65 3.72 -1.00 -4.62 117.46 115.46 2jie n PHE 251 Ca -0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.22 2jie n PHE 251 Cb 0.14 -0.37 -0.09 0.00 -0.94 0.00 0.00 39.48 38.22 2jie n PHE 251 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jie h ALA 252 N 0.28 0.20 -0.11 4.37 0.00 -1.03 -3.20 119.26 119.77 2jie h ALA 252 Ca -0.21 -0.74 0.02 0.00 0.00 0.00 0.00 54.91 53.98 2jie h ALA 252 Cb 1.43 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2jie h ALA 252 CO 0.00 0.77 -0.01 1.49 0.00 0.00 0.00 179.25 181.50 2jie h GLU 253 N 0.27 0.02 -0.33 0.00 4.57 -1.21 -2.04 114.58 115.86 2jie h GLU 253 Ca -0.12 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.95 2jie h GLU 253 Cb 1.72 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.29 2jie h GLU 253 CO 0.19 0.01 -0.24 -1.35 -1.18 0.00 0.00 179.01 176.44 2jie h PRO 254 N 0.02 0.64 -0.33 0.92 0.11 -1.42 0.66 132.00 132.60 2jie h PRO 254 Ca 0.05 -0.25 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 2jie h PRO 254 Cb 0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 2jie h PRO 254 CO -0.10 0.83 0.19 1.25 -0.21 0.00 0.00 178.00 179.96 2jie h LEU 255 N 0.56 0.40 0.00 2.35 5.85 -1.50 -2.10 115.31 120.87 2jie h LEU 255 Ca 0.08 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2jie h LEU 255 Cb 0.71 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2jie h LEU 255 CO 0.05 0.35 -1.80 0.49 -0.34 0.00 0.00 178.44 177.20 2jie n PHE 256 N -4.81 0.00 0.20 1.25 3.01 -0.79 -3.42 117.46 112.90 2jie n PHE 256 Ca -0.01 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.47 2jie n PHE 256 Cb 0.06 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 39.11 2jie n PHE 256 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2jie n ASN 257 N -2.12 0.63 -1.87 4.37 5.03 0.23 -5.02 115.26 116.50 2jie n ASN 257 Ca -0.04 -0.81 -0.15 0.00 0.87 0.00 0.00 54.58 54.44 2jie n ASN 257 Cb 0.48 0.65 0.00 0.00 -1.02 0.00 0.00 39.78 39.89 2jie n ASN 257 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jie n GLY 258 N 0.81 -0.23 3.41 7.41 0.00 -0.79 -4.91 105.19 110.88 2jie n GLY 258 Ca 0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 2jie n GLY 258 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jie s LYS 259 N -4.94 1.20 0.20 1.61 0.00 -1.22 -4.86 119.74 111.73 2jie s LYS 259 Ca 0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 55.97 55.54 2jie s LYS 259 Cb -0.03 0.55 -0.07 0.00 0.00 0.00 0.00 37.83 38.28 2jie s LYS 259 CO 0.08 -0.49 0.50 0.71 0.00 0.00 0.00 175.35 176.15 2jie s TYR 260 N -3.37 3.45 -0.06 1.78 2.02 -1.26 -1.56 117.35 118.35 2jie s TYR 260 Ca -0.01 0.80 -0.33 0.00 -0.37 0.00 0.00 57.07 57.17 2jie s TYR 260 Cb -0.00 -2.20 -0.11 0.00 -0.40 0.00 0.00 41.96 39.25 2jie s TYR 260 CO -0.09 0.33 1.92 -2.30 -1.57 0.00 0.00 175.55 173.83 2jie n PRO 261 N -0.00 2.38 -0.26 -1.71 -0.02 -1.26 -4.88 135.00 129.24 2jie n PRO 261 Ca -0.01 0.87 -0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2jie n PRO 261 Cb 0.52 -2.76 0.08 0.00 -0.02 0.00 0.00 33.50 31.32 2jie n PRO 261 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2jie h GLU 262 N 9.75 0.90 -0.47 -0.52 3.07 -1.99 -0.00 114.58 125.33 2jie h GLU 262 Ca -0.49 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.31 2jie h GLU 262 Cb 1.26 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.95 2jie h GLU 262 CO 0.95 0.60 0.26 0.38 -1.40 0.00 0.00 179.01 179.80 2jie h ASP 263 N 0.93 0.58 -0.49 1.42 2.03 -2.00 -2.18 116.42 116.70 2jie h ASP 263 Ca 0.29 -0.08 -0.09 0.00 -0.73 0.00 0.00 57.03 56.41 2jie h ASP 263 Cb -0.02 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.31 2jie h ASP 263 CO -0.09 0.49 -0.05 0.24 -1.03 0.00 0.00 179.24 178.79 2jie h MET 264 N 0.61 0.91 -0.78 4.15 2.86 -1.83 -1.57 114.93 119.27 2jie h MET 264 Ca 0.16 -0.32 0.13 0.00 -2.06 0.00 0.00 59.70 57.62 2jie h MET 264 Cb 0.04 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.57 2jie h MET 264 CO -0.03 0.96 0.52 0.28 1.06 0.00 0.00 176.91 179.70 2jie h VAL 265 N 0.76 0.84 -0.01 -2.22 2.07 -0.82 -0.38 116.25 116.50 2jie h VAL 265 Ca 0.13 -0.18 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 2jie h VAL 265 Cb 0.59 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2jie h VAL 265 CO 0.04 0.10 -0.65 -0.08 0.02 0.00 0.00 177.57 177.00 2jie h GLU 266 N 0.54 0.46 -0.12 1.57 4.57 -0.96 -2.04 114.58 118.60 2jie h GLU 266 Ca 0.38 -0.48 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2jie h GLU 266 Cb 0.72 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 2jie h GLU 266 CO -0.14 1.13 0.03 2.35 -1.18 0.00 0.00 179.01 181.20 2jie h TRP 267 N -0.02 0.16 0.22 0.92 2.91 -0.27 -2.67 115.95 117.19 2jie h TRP 267 Ca -0.08 -0.00 -0.35 0.00 1.13 0.00 0.00 58.89 59.60 2jie h TRP 267 Cb 1.35 -0.05 0.02 0.00 -0.51 0.00 0.00 29.16 29.97 2jie h TRP 267 CO 0.14 0.15 -1.63 1.88 -1.03 0.00 0.00 178.44 177.94 2jie h TYR 268 N 0.17 0.84 0.00 2.65 0.05 -1.14 -3.47 116.97 116.07 2jie h TYR 268 Ca 0.04 -0.61 0.00 0.00 0.05 0.00 0.00 58.73 58.21 2jie h TYR 268 Cb 0.07 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2jie h TYR 268 CO 0.00 1.63 0.00 0.41 -1.05 0.00 0.00 178.16 179.15 2jie n GLY 269 N 1.80 1.92 0.36 3.88 0.00 -0.77 -2.30 105.19 110.07 2jie n GLY 269 Ca -0.21 0.51 0.06 0.00 0.00 0.00 0.00 46.02 46.38 2jie n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jie h THR 270 N 0.00 0.00 -0.25 2.61 1.03 -1.91 0.39 112.91 114.78 2jie h THR 270 Ca 0.00 -0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.47 2jie h THR 270 Cb 0.00 0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 67.07 2jie h THR 270 CO 0.00 0.00 0.20 1.88 -0.01 0.00 0.00 175.52 177.59 2jie h TYR 271 N 0.00 0.00 0.00 0.00 0.99 -1.86 0.15 116.97 116.25 2jie h TYR 271 Ca 0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.21 2jie h TYR 271 Cb 0.75 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.48 2jie h TYR 271 CO -0.76 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 178.68 2jie n LEU 272 N -4.22 0.40 -2.68 3.88 4.32 0.13 -4.29 117.00 114.56 2jie n LEU 272 Ca 0.03 0.55 -0.15 0.00 -0.02 0.00 0.00 56.01 56.43 2jie n LEU 272 Cb 0.35 -0.44 -0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2jie n LEU 272 CO 0.33 -0.17 -0.12 -3.20 -1.22 0.00 0.00 177.39 173.01 2jie n ASN 273 N -1.89 -3.80 -0.63 -1.43 2.85 0.51 -0.53 115.26 110.34 2jie n ASN 273 Ca 0.05 0.06 -0.06 0.00 -0.11 0.00 0.00 54.58 54.52 2jie n ASN 273 Cb 0.34 -3.21 -0.01 0.00 1.24 0.00 0.00 39.78 38.14 2jie n ASN 273 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jie n GLY 274 N -0.90 0.29 2.41 8.20 0.00 -1.26 -3.35 105.19 110.57 2jie n GLY 274 Ca -0.11 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 2jie n GLY 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jie n LEU 275 N -0.81 -1.63 0.30 0.99 4.32 0.31 -4.85 117.00 115.63 2jie n LEU 275 Ca -0.07 0.10 0.16 0.00 -0.02 0.00 0.00 56.01 56.19 2jie n LEU 275 Cb 0.47 -2.66 0.93 0.00 -1.62 0.00 0.00 43.42 40.55 2jie n LEU 275 CO 0.08 -0.28 1.11 -2.24 -1.22 0.00 0.00 177.39 174.84 2jie h ASP 276 N 0.00 0.00 0.58 -1.43 2.03 -1.65 -0.90 116.42 115.04 2jie h ASP 276 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2jie h ASP 276 Cb 1.30 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.80 2jie h ASP 276 CO 0.51 0.02 0.00 2.22 -1.03 0.00 0.00 179.24 180.96 2jie n PHE 277 N -3.66 0.00 -3.24 4.15 1.16 -1.26 -4.67 117.46 109.94 2jie n PHE 277 Ca -0.03 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.15 2jie n PHE 277 Cb 0.11 -0.35 -0.08 0.00 -1.61 0.00 0.00 39.48 37.56 2jie n PHE 277 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2jie s VAL 278 N -2.70 5.05 0.30 1.97 1.01 -0.35 -5.01 120.40 120.68 2jie s VAL 278 Ca 0.20 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.97 2jie s VAL 278 Cb 0.17 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2jie s VAL 278 CO 0.40 -0.01 0.28 -1.10 0.00 0.00 0.00 175.10 174.67 2jie s GLN 279 N 2.34 2.84 0.14 2.72 -1.52 -1.26 -5.04 119.66 119.89 2jie s GLN 279 Ca 0.20 -1.18 -0.32 0.00 -1.95 0.00 0.00 55.36 52.11 2jie s GLN 279 Cb -0.15 -2.54 -0.12 0.00 -0.22 0.00 0.00 33.01 29.97 2jie s GLN 279 CO 0.11 0.20 1.74 -2.30 -0.25 0.00 0.00 175.29 174.79 2jie n PRO 280 N -1.33 2.57 0.00 2.91 -0.02 -1.26 -1.85 135.00 136.02 2jie n PRO 280 Ca -0.04 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2jie n PRO 280 Cb 0.59 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2jie n PRO 280 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jie n GLY 281 N 3.95 1.31 0.24 -1.23 0.00 -1.26 -4.95 105.19 103.24 2jie n GLY 281 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 2jie n GLY 281 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jie h ASP 282 N 0.00 -0.45 -0.85 1.61 3.32 -1.77 -0.33 116.42 117.94 2jie h ASP 282 Ca 0.00 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.02 2jie h ASP 282 Cb 0.00 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2jie h ASP 282 CO 0.00 -0.25 0.57 0.24 -1.72 0.00 0.00 179.24 178.08 2jie h MET 283 N -0.63 1.12 -0.28 3.56 2.86 -1.91 -0.61 114.93 119.03 2jie h MET 283 Ca -0.05 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2jie h MET 283 Cb 0.46 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2jie h MET 283 CO 0.09 0.74 0.05 1.49 1.06 0.00 0.00 176.91 180.34 2jie h GLU 284 N 1.15 0.46 -0.93 1.72 4.81 -1.87 -0.67 114.58 119.26 2jie h GLU 284 Ca 0.31 -0.12 0.14 0.00 -0.13 0.00 0.00 59.36 59.57 2jie h GLU 284 Cb -0.12 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.11 2jie h GLU 284 CO -0.07 0.56 0.54 1.25 -0.73 0.00 0.00 179.01 180.56 2jie h LEU 285 N 0.28 0.72 -0.35 1.64 5.85 -0.17 -2.38 115.31 120.90 2jie h LEU 285 Ca 0.09 0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.69 2jie h LEU 285 Cb 0.32 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2jie h LEU 285 CO 0.00 0.33 -0.81 0.40 -0.34 0.00 0.00 178.44 178.02 2jie h ILE 286 N 0.78 1.44 -0.31 4.05 2.04 -0.82 -3.36 117.51 121.34 2jie h ILE 286 Ca 0.49 -2.40 -0.67 0.00 1.00 0.00 0.00 64.86 63.28 2jie h ILE 286 Cb 0.63 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2jie h ILE 286 CO -0.33 0.71 2.62 1.67 0.00 0.00 0.00 178.15 182.82 2jie n GLN 287 N -3.74 2.74 -3.40 2.37 7.27 -0.29 -4.48 117.38 117.86 2jie n GLN 287 Ca -0.04 -2.73 -0.27 0.00 0.07 0.00 0.00 57.00 54.03 2jie n GLN 287 Cb 0.76 -3.35 -0.10 0.00 2.41 0.00 0.00 30.24 29.97 2jie n GLN 287 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2jie n GLN 288 N 7.08 0.48 -0.35 3.69 6.02 -1.22 -4.96 117.38 128.12 2jie n GLN 288 Ca 0.50 -3.34 0.27 0.00 -0.01 0.00 0.00 57.00 54.43 2jie n GLN 288 Cb 0.42 -1.66 0.52 0.00 1.02 0.00 0.00 30.24 30.54 2jie n GLN 288 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2jie h PRO 289 N 5.29 0.23 0.00 -1.09 0.11 -1.85 -3.48 132.00 131.21 2jie h PRO 289 Ca 0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2jie h PRO 289 Cb 0.88 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2jie h PRO 289 CO 0.43 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 2jie n GLY 290 N -1.32 -1.23 0.02 -0.55 0.00 -1.26 -4.11 105.19 96.74 2jie n GLY 290 Ca 0.33 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 45.19 2jie n GLY 290 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jie n ASP 291 N 0.25 0.38 -3.68 1.61 8.00 0.36 -4.97 116.55 118.50 2jie n ASP 291 Ca 0.00 -0.09 -0.02 0.00 0.71 0.00 0.00 54.79 55.39 2jie n ASP 291 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2jie n ASP 291 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2jie s PHE 292 N -2.93 -0.08 -0.16 1.24 -0.71 -1.21 -4.27 117.98 109.86 2jie s PHE 292 Ca 0.14 -0.17 -0.00 0.00 -1.04 0.00 0.00 56.93 55.86 2jie s PHE 292 Cb 0.18 0.62 0.03 0.00 -1.21 0.00 0.00 43.02 42.64 2jie s PHE 292 CO 0.62 -0.66 -0.08 -1.17 -1.34 0.00 0.00 175.22 172.59 2jie s LEU 293 N -3.01 1.63 0.14 -1.99 2.96 -0.62 -4.12 118.68 113.67 2jie s LEU 293 Ca 0.14 -0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 2jie s LEU 293 Cb 0.00 -0.99 -0.07 0.00 0.50 0.00 0.00 46.19 45.63 2jie s LEU 293 CO 0.01 -0.14 0.68 -0.83 -1.32 0.00 0.00 176.35 174.74 2jie s GLY 294 N 1.59 2.76 0.01 7.98 0.00 -0.15 -1.44 107.32 118.07 2jie s GLY 294 Ca 0.02 0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.97 2jie s GLY 294 CO -0.08 0.63 -0.15 -0.42 0.00 0.00 0.00 173.10 173.08 2jie s ILE 295 N -1.21 1.17 -0.14 0.90 -1.09 -0.04 -1.22 121.20 119.57 2jie s ILE 295 Ca 0.34 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 2jie s ILE 295 Cb -0.20 -1.00 0.02 0.00 -1.58 0.00 0.00 42.46 39.70 2jie s ILE 295 CO 0.22 0.22 -0.14 0.20 -1.23 0.00 0.00 174.94 174.21 2jie s ASN 296 N -0.64 2.59 0.02 3.58 -0.87 -0.70 -1.65 114.94 117.28 2jie s ASN 296 Ca 0.04 -0.46 0.02 0.00 -1.57 0.00 0.00 52.86 50.89 2jie s ASN 296 Cb -0.06 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.25 40.02 2jie s ASN 296 CO 0.00 -0.05 -0.06 -0.47 -2.57 0.00 0.00 177.10 173.95 2jie s TYR 297 N 1.42 0.50 0.00 2.20 5.04 -0.93 -1.74 117.35 123.85 2jie s TYR 297 Ca 0.03 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 2jie s TYR 297 Cb -0.13 -0.31 0.00 0.00 0.35 0.00 0.00 41.96 41.87 2jie s TYR 297 CO -0.09 -0.08 0.00 0.66 -1.34 0.00 0.00 175.55 174.70 2jie n TYR 298 N 1.93 0.00 -3.43 4.97 4.01 -1.26 -4.48 117.16 118.91 2jie n TYR 298 Ca -0.20 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.42 2jie n TYR 298 Cb 0.56 0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.85 2jie n TYR 298 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2jie s THR 299 N -1.78 0.00 0.74 -0.72 -1.32 -1.26 -4.78 115.64 106.51 2jie s THR 299 Ca 0.00 -0.01 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 2jie s THR 299 Cb 0.00 -1.01 0.06 0.00 -1.51 0.00 0.00 72.50 70.05 2jie s THR 299 CO 0.00 0.00 1.07 0.00 -2.21 0.00 0.00 174.62 173.48 2jie s ARG 300 N -3.73 2.19 -0.00 7.08 1.70 -1.26 -4.54 118.95 120.39 2jie s ARG 300 Ca 0.01 -0.07 0.06 0.00 -0.47 0.00 0.00 55.73 55.27 2jie s ARG 300 Cb -0.01 -2.09 -0.02 0.00 -0.57 0.00 0.00 34.95 32.26 2jie s ARG 300 CO -0.13 -1.33 -0.20 -1.54 -1.08 0.00 0.00 175.30 171.03 2jie s SER 301 N -4.52 2.36 -0.22 -2.89 1.04 -0.81 -4.86 113.70 103.80 2jie s SER 301 Ca 0.60 -0.40 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 2jie s SER 301 Cb -0.11 -0.25 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 2jie s SER 301 CO 0.47 0.22 0.03 -0.63 0.98 0.00 0.00 173.24 174.31 2jie s ILE 302 N -0.55 4.12 -0.04 -1.02 -1.09 -1.26 -0.80 121.20 120.57 2jie s ILE 302 Ca 0.08 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 2jie s ILE 302 Cb -0.08 -2.89 -0.02 0.00 -1.58 0.00 0.00 42.46 37.89 2jie s ILE 302 CO -0.00 0.39 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.27 2jie s ILE 303 N 1.24 2.54 0.24 2.92 1.09 0.58 -0.45 121.20 129.37 2jie s ILE 303 Ca 0.04 -0.92 0.05 0.00 -1.10 0.00 0.00 60.65 58.72 2jie s ILE 303 Cb -0.15 -1.94 -0.05 0.00 -1.06 0.00 0.00 42.46 39.26 2jie s ILE 303 CO 0.02 0.59 -0.03 0.00 -0.10 0.00 0.00 174.94 175.42 2jie s ARG 304 N -0.66 1.40 0.17 2.79 1.70 -0.34 0.11 118.95 124.13 2jie s ARG 304 Ca 0.10 -1.70 -0.02 0.00 -0.47 0.00 0.00 55.73 53.64 2jie s ARG 304 Cb -0.10 -0.82 -0.05 0.00 -0.57 0.00 0.00 34.95 33.41 2jie s ARG 304 CO -0.00 -0.04 0.37 0.45 -1.08 0.00 0.00 175.30 175.01 2jie s SER 305 N -3.35 6.41 0.22 -2.89 0.15 -1.26 -0.84 113.70 112.14 2jie s SER 305 Ca 0.28 0.45 -0.04 0.00 0.70 0.00 0.00 55.95 57.34 2jie s SER 305 Cb 0.05 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 2jie s SER 305 CO 0.09 -0.00 0.23 0.42 1.20 0.00 0.00 173.24 175.18 2jie s THR 306 N -1.78 0.00 -0.33 6.45 -4.23 -1.12 -4.78 115.64 109.84 2jie s THR 306 Ca 0.39 -1.84 0.11 0.00 -1.18 0.00 0.00 61.69 59.17 2jie s THR 306 Cb -0.11 -2.43 0.46 0.00 1.34 0.00 0.00 72.50 71.76 2jie s THR 306 CO 0.28 0.00 1.12 -3.20 -0.54 0.00 0.00 174.62 172.27 2jie n ASN 307 N -0.35 3.65 -2.04 3.99 4.05 -1.26 -4.66 115.26 118.64 2jie n ASN 307 Ca 0.01 -3.22 0.00 0.00 0.45 0.00 0.00 54.58 51.82 2jie n ASN 307 Cb 0.65 -0.43 0.00 0.00 1.23 0.00 0.00 39.78 41.23 2jie n ASN 307 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 2jie n ASP 308 N -0.53 0.00 -1.34 1.20 3.85 -1.26 -4.98 116.55 113.48 2jie n ASP 308 Ca 0.30 -0.81 0.01 0.00 -0.71 0.00 0.00 54.79 53.58 2jie n ASP 308 Cb 0.83 0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.81 2jie n ASP 308 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jie n ALA 309 N -3.00 3.42 -2.64 2.12 0.00 -1.26 -4.86 120.51 114.30 2jie n ALA 309 Ca 0.00 -1.15 -0.25 0.00 0.00 0.00 0.00 53.44 52.04 2jie n ALA 309 Cb 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2jie n ALA 309 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jie s SER 310 N -0.41 6.32 0.12 0.00 1.04 -1.26 -5.01 113.70 114.50 2jie s SER 310 Ca 0.31 0.49 -0.30 0.00 0.48 0.00 0.00 55.95 56.92 2jie s SER 310 Cb 0.24 -2.05 -0.08 0.00 0.10 0.00 0.00 66.02 64.23 2jie s SER 310 CO 0.08 -0.27 1.58 0.25 0.98 0.00 0.00 173.24 175.86 2jie h LEU 311 N 0.92 -1.28 -0.00 2.42 7.12 -2.00 -3.11 115.31 119.37 2jie h LEU 311 Ca -0.49 0.15 -0.21 0.00 0.13 0.00 0.00 57.88 57.46 2jie h LEU 311 Cb 1.21 0.50 -0.03 0.00 -0.53 0.00 0.00 40.66 41.81 2jie h LEU 311 CO 0.62 -0.46 -0.99 -0.07 -0.13 0.00 0.00 178.44 177.41 2jie h LEU 312 N -0.58 0.00 -1.61 2.25 3.38 -1.97 -3.48 115.31 113.29 2jie h LEU 312 Ca 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.73 2jie h LEU 312 Cb 0.66 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.55 2jie h LEU 312 CO -0.31 0.99 -0.64 0.00 0.09 0.00 0.00 178.44 178.57 2jie n GLN 313 N -3.35 -5.72 -4.21 1.13 6.02 -1.18 -5.00 117.38 105.07 2jie n GLN 313 Ca 0.00 0.71 -0.19 0.00 -0.01 0.00 0.00 57.00 57.52 2jie n GLN 313 Cb 0.94 -5.34 -0.12 0.00 1.02 0.00 0.00 30.24 26.73 2jie n GLN 313 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jie s VAL 314 N -3.30 1.11 -0.02 5.09 1.01 -1.26 -2.81 120.40 120.22 2jie s VAL 314 Ca 0.06 -1.24 0.07 0.00 0.00 0.00 0.00 61.98 60.87 2jie s VAL 314 Cb -0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2jie s VAL 314 CO 0.62 -0.18 -0.24 -0.70 0.00 0.00 0.00 175.10 174.59 2jie s GLU 315 N -1.62 1.95 -0.49 2.72 2.12 -0.02 -4.87 118.70 118.49 2jie s GLU 315 Ca -0.01 -0.87 -0.15 0.00 0.36 0.00 0.00 54.97 54.29 2jie s GLU 315 Cb -0.10 -1.89 0.09 0.00 0.26 0.00 0.00 34.13 32.49 2jie s GLU 315 CO 0.02 0.52 0.42 -1.14 -0.54 0.00 0.00 175.26 174.53 2jie s GLN 316 N -0.60 2.96 0.06 4.30 0.74 -1.26 -1.20 119.66 124.67 2jie s GLN 316 Ca 0.09 -1.44 -0.30 0.00 0.05 0.00 0.00 55.36 53.76 2jie s GLN 316 Cb -0.09 -4.16 -0.09 0.00 1.10 0.00 0.00 33.01 29.77 2jie s GLN 316 CO -0.01 -1.10 1.88 0.08 -0.55 0.00 0.00 175.29 175.60 2jie s VAL 317 N 1.62 2.88 -0.93 1.34 1.01 0.41 -4.89 120.40 121.84 2jie s VAL 317 Ca 0.04 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2jie s VAL 317 Cb -0.26 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.14 2jie s VAL 317 CO 0.06 -0.01 1.26 -1.00 0.00 0.00 0.00 175.10 175.41 2jie s HIS 318 N 3.72 2.76 -0.08 5.22 0.09 -1.26 -4.41 115.29 121.33 2jie s HIS 318 Ca 0.84 -0.97 -0.29 0.00 -0.00 0.00 0.00 55.06 54.64 2jie s HIS 318 Cb -0.43 -4.49 -0.07 0.00 -0.00 0.00 0.00 32.58 27.60 2jie s HIS 318 CO 0.38 -1.74 1.94 -1.64 -0.00 0.00 0.00 174.74 173.69 2jie s MET 319 N 4.03 3.83 0.24 1.40 -1.94 -1.26 -4.85 119.30 120.76 2jie s MET 319 Ca 0.37 2.27 0.20 0.00 -1.71 0.00 0.00 55.69 56.83 2jie s MET 319 Cb -0.04 -4.18 0.07 0.00 2.01 0.00 0.00 34.83 32.69 2jie s MET 319 CO -0.06 -1.29 1.20 0.93 -0.01 0.00 0.00 175.02 175.79 2jie h GLU 320 N 11.64 0.00 -7.05 2.03 5.08 -1.94 -3.41 114.58 120.93 2jie h GLU 320 Ca -0.44 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.40 2jie h GLU 320 Cb 1.22 0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.68 2jie h GLU 320 CO 0.96 0.14 -0.14 0.39 -1.00 0.00 0.00 179.01 179.36 2jie n GLU 321 N -2.92 -0.46 -0.04 2.33 -0.58 -1.26 -4.25 120.64 113.46 2jie n GLU 321 Ca -0.01 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2jie n GLU 321 Cb 0.64 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2jie n GLU 321 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jie n PRO 322 N -3.17 0.00 -4.31 3.49 -0.02 -1.26 -4.60 135.00 125.14 2jie n PRO 322 Ca 0.09 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 2jie n PRO 322 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.91 2jie n PRO 322 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2jie s VAL 323 N 0.00 1.54 0.69 -1.45 -7.23 -1.26 0.11 120.40 112.81 2jie s VAL 323 Ca 0.00 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 57.93 2jie s VAL 323 Cb 0.00 -1.94 0.16 0.00 0.56 0.00 0.00 36.38 35.16 2jie s VAL 323 CO 0.00 -0.62 0.89 0.35 -0.31 0.00 0.00 175.10 175.41 2jie n THR 324 N -0.24 0.00 0.81 5.32 -2.24 0.14 -4.83 114.28 113.23 2jie n THR 324 Ca -0.09 -0.63 0.08 0.00 -2.27 0.00 0.00 64.05 61.13 2jie n THR 324 Cb 0.60 -1.60 0.41 0.00 -2.10 0.00 0.00 70.33 67.64 2jie n THR 324 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jie n ASP 325 N -3.67 0.00 -0.71 3.42 4.64 0.19 -1.23 116.55 119.18 2jie n ASP 325 Ca 0.11 -0.13 0.09 0.00 -1.38 0.00 0.00 54.79 53.49 2jie n ASP 325 Cb 0.40 -0.18 0.07 0.00 -1.04 0.00 0.00 41.12 40.36 2jie n ASP 325 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61 2jie n MET 326 N -1.18 1.62 -0.83 -0.67 2.81 -1.26 -4.95 117.12 112.65 2jie n MET 326 Ca 0.09 -1.52 0.00 0.00 -1.81 0.00 0.00 57.70 54.46 2jie n MET 326 Cb 0.10 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2jie n MET 326 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jie n GLY 327 N 1.09 0.52 3.71 3.03 0.00 -0.37 -5.04 105.19 108.13 2jie n GLY 327 Ca 0.11 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2jie n GLY 327 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jie s TRP 328 N -2.00 3.48 0.60 1.61 0.51 -1.26 -4.77 118.94 117.11 2jie s TRP 328 Ca 0.00 0.87 -0.20 0.00 -2.12 0.00 0.00 56.10 54.66 2jie s TRP 328 Cb 0.00 -2.59 -0.03 0.00 -0.81 0.00 0.00 33.47 30.04 2jie s TRP 328 CO 0.00 0.10 1.32 -2.00 -0.51 0.00 0.00 176.95 175.86 2jie s GLU 329 N 0.88 2.82 -0.79 4.98 2.12 -1.26 -0.68 118.70 126.77 2jie s GLU 329 Ca 0.26 2.13 -0.08 0.00 0.36 0.00 0.00 54.97 57.64 2jie s GLU 329 Cb -0.15 -2.03 0.20 0.00 0.26 0.00 0.00 34.13 32.41 2jie s GLU 329 CO 0.10 -1.41 0.68 0.42 -0.54 0.00 0.00 175.26 174.52 2jie s ILE 330 N -1.36 4.77 -0.67 -3.70 -1.09 0.29 -4.61 121.20 114.84 2jie s ILE 330 Ca 0.78 -2.94 0.05 0.00 -2.23 0.00 0.00 60.65 56.31 2jie s ILE 330 Cb -0.39 -3.99 0.20 0.00 -1.58 0.00 0.00 42.46 36.70 2jie s ILE 330 CO 0.43 -1.00 0.57 1.57 -1.23 0.00 0.00 174.94 175.28 2jie n HIS 331 N 3.44 3.11 0.14 3.97 -0.00 -1.26 -4.94 115.22 119.68 2jie n HIS 331 Ca 0.14 -4.20 0.19 0.00 0.46 0.00 0.00 57.72 54.31 2jie n HIS 331 Cb 0.41 -0.56 0.77 0.00 -0.12 0.00 0.00 29.99 30.50 2jie n HIS 331 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2jie h PRO 332 N 4.97 0.00 -0.90 1.57 0.13 -1.93 -0.76 132.00 135.07 2jie h PRO 332 Ca 0.17 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.32 2jie h PRO 332 Cb 0.73 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 2jie h PRO 332 CO 0.73 0.00 0.59 1.49 -0.23 0.00 0.00 178.00 180.58 2jie h GLU 333 N 0.00 1.14 0.00 0.86 4.81 -1.93 -2.01 114.58 117.45 2jie h GLU 333 Ca 0.15 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2jie h GLU 333 Cb 0.89 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2jie h GLU 333 CO -0.00 0.75 -0.09 0.77 -0.73 0.00 0.00 179.01 179.71 2jie h SER 334 N 1.17 0.00 -0.17 1.04 0.02 -1.56 -1.76 113.55 112.29 2jie h SER 334 Ca 0.35 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.26 2jie h SER 334 Cb -0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2jie h SER 334 CO -0.10 0.09 -0.03 0.15 -1.14 0.00 0.00 176.83 175.80 2jie h PHE 335 N 0.00 0.36 -0.79 3.45 -0.00 -1.46 0.30 116.94 118.80 2jie h PHE 335 Ca -0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.97 57.88 2jie h PHE 335 Cb 0.17 -0.09 -0.04 0.00 -0.00 0.00 0.00 35.95 35.99 2jie h PHE 335 CO 0.00 0.58 0.43 -0.92 -0.00 0.00 0.00 178.31 178.40 2jie h TYR 336 N 0.05 1.09 -0.69 0.41 3.20 -1.36 -0.70 116.97 118.97 2jie h TYR 336 Ca 0.05 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2jie h TYR 336 Cb 0.45 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2jie h TYR 336 CO 0.05 0.76 0.28 0.87 -1.64 0.00 0.00 178.16 178.48 2jie h LYS 337 N 1.10 1.03 -0.19 1.82 1.79 -1.13 -1.56 116.57 119.42 2jie h LYS 337 Ca 0.28 -0.18 -0.15 0.00 -2.18 0.00 0.00 60.65 58.41 2jie h LYS 337 Cb 0.03 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2jie h LYS 337 CO -0.04 0.85 -0.47 1.25 -1.08 0.00 0.00 179.45 179.96 2jie h LEU 338 N 0.98 0.74 -0.73 2.94 5.85 -0.12 -2.48 115.31 122.49 2jie h LEU 338 Ca 0.23 -0.57 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2jie h LEU 338 Cb 0.20 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2jie h LEU 338 CO -0.02 1.18 0.45 -0.07 -0.34 0.00 0.00 178.44 179.63 2jie h LEU 339 N 0.35 0.87 -0.41 2.25 3.38 -1.05 0.31 115.31 121.01 2jie h LEU 339 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2jie h LEU 339 Cb 1.08 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2jie h LEU 339 CO 0.10 0.68 0.26 0.74 0.09 0.00 0.00 178.44 180.30 2jie h THR 340 N 1.00 1.12 -0.07 0.22 2.02 -1.28 -1.66 112.91 114.26 2jie h THR 340 Ca 0.26 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2jie h THR 340 Cb -0.04 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2jie h THR 340 CO -0.05 0.12 -0.29 -0.09 0.37 0.00 0.00 175.52 175.58 2jie h ARG 341 N 0.54 0.13 -0.30 6.66 2.43 -0.95 -1.58 114.38 121.31 2jie h ARG 341 Ca 0.15 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 2jie h ARG 341 Cb -0.03 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2jie h ARG 341 CO -0.03 0.42 -0.38 0.82 -1.51 0.00 0.00 179.97 179.29 2jie h ILE 342 N 0.12 1.29 0.22 1.20 1.08 -0.52 -2.20 117.51 118.71 2jie h ILE 342 Ca 0.02 -1.56 -0.01 0.00 -0.39 0.00 0.00 64.86 62.92 2jie h ILE 342 Cb 0.58 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2jie h ILE 342 CO 0.04 0.50 -0.11 -0.08 -0.69 0.00 0.00 178.15 177.82 2jie h GLU 343 N 0.55 -0.29 -0.69 2.37 4.57 -1.11 -2.53 114.58 117.45 2jie h GLU 343 Ca 0.04 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.38 2jie h GLU 343 Cb 0.96 0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 29.49 2jie h GLU 343 CO 0.09 0.01 -0.16 -0.22 -1.18 0.00 0.00 179.01 177.55 2jie h LYS 344 N -0.60 0.01 -5.91 1.92 3.64 -1.30 0.42 116.57 114.74 2jie h LYS 344 Ca -0.03 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.78 2jie h LYS 344 Cb 0.44 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 2jie h LYS 344 CO 0.05 0.00 -0.50 -0.51 -2.27 0.00 0.00 179.45 176.22 2jie s ASP 345 N -5.23 4.42 0.00 4.20 1.01 -0.83 -4.53 116.67 115.71 2jie s ASP 345 Ca -0.14 -1.06 0.00 0.00 0.71 0.00 0.00 52.55 52.06 2jie s ASP 345 Cb 0.21 -0.49 0.00 0.00 1.01 0.00 0.00 42.92 43.64 2jie s ASP 345 CO 0.74 -0.52 0.00 0.49 0.21 0.00 0.00 175.17 176.10 2jie n PHE 346 N -1.22 0.00 1.87 4.23 3.72 -1.26 -3.51 117.46 121.30 2jie n PHE 346 Ca -0.01 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.54 2jie n PHE 346 Cb 0.64 0.00 0.89 0.00 -0.94 0.00 0.00 39.48 40.07 2jie n PHE 346 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2jie n SER 347 N 1.55 0.11 -4.52 4.37 3.41 -0.95 -4.91 113.62 112.67 2jie n SER 347 Ca 0.00 -0.90 -0.21 0.00 -0.26 0.00 0.00 58.87 57.50 2jie n SER 347 Cb 0.00 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 63.74 2jie n SER 347 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2jie n LYS 348 N -0.96 0.22 0.00 4.33 2.85 0.15 -1.30 118.16 123.45 2jie n LYS 348 Ca 0.22 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 2jie n LYS 348 Cb 0.15 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.52 2jie n LYS 348 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jie n GLY 349 N 6.02 2.18 3.63 2.58 0.00 -1.26 -5.04 105.19 113.29 2jie n GLY 349 Ca 0.60 -0.71 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 2jie n GLY 349 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jie n LEU 350 N 0.00 2.43 -4.69 0.99 7.94 -0.42 -4.87 117.00 118.39 2jie n LEU 350 Ca 0.00 1.14 -0.44 0.00 -1.11 0.00 0.00 56.01 55.60 2jie n LEU 350 Cb 0.00 -1.34 -0.02 0.00 0.53 0.00 0.00 43.42 42.60 2jie n LEU 350 CO 0.00 -0.80 1.03 -2.65 -1.11 0.00 0.00 177.39 173.85 2jie n PRO 351 N 2.08 2.19 -4.32 1.96 -0.02 -1.26 -4.84 135.00 130.79 2jie n PRO 351 Ca 0.14 0.78 -0.34 0.00 -2.02 0.00 0.00 63.50 62.06 2jie n PRO 351 Cb 0.28 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 2jie n PRO 351 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jie s ILE 352 N -0.34 4.06 -0.10 4.25 1.01 0.01 -1.59 121.20 128.49 2jie s ILE 352 Ca 0.64 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.02 2jie s ILE 352 Cb -0.60 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.09 2jie s ILE 352 CO 0.53 0.49 -0.19 -0.76 0.00 0.00 0.00 174.94 175.01 2jie s LEU 353 N 0.36 1.89 -0.69 2.97 1.02 -0.52 -0.96 118.68 122.76 2jie s LEU 353 Ca -0.03 -0.48 -0.22 0.00 0.02 0.00 0.00 54.13 53.42 2jie s LEU 353 Cb -0.14 -1.21 0.07 0.00 0.02 0.00 0.00 46.19 44.94 2jie s LEU 353 CO 0.02 0.08 0.99 -0.63 0.02 0.00 0.00 176.35 176.83 2jie s ILE 354 N 0.69 4.34 -1.13 -0.59 1.01 -0.87 -0.86 121.20 123.79 2jie s ILE 354 Ca -0.12 -0.45 0.28 0.00 0.00 0.00 0.00 60.65 60.35 2jie s ILE 354 Cb -0.16 -4.70 0.21 0.00 0.01 0.00 0.00 42.46 37.82 2jie s ILE 354 CO 0.03 -1.48 1.76 0.35 0.00 0.00 0.00 174.94 175.60 2jie n THR 355 N 5.91 0.00 -3.52 2.92 -2.24 -0.66 -0.05 114.28 116.65 2jie n THR 355 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2jie n THR 355 Cb 0.46 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 2jie n THR 355 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2jie s GLU 356 N -2.89 0.58 -0.22 -0.78 2.12 -1.17 -4.69 118.70 111.65 2jie s GLU 356 Ca 0.16 1.34 -0.13 0.00 0.36 0.00 0.00 54.97 56.70 2jie s GLU 356 Cb 0.19 0.79 0.07 0.00 0.26 0.00 0.00 34.13 35.44 2jie s GLU 356 CO 0.57 -0.31 0.54 1.21 -0.54 0.00 0.00 175.26 176.73 2jie s ASN 357 N 2.89 -0.71 0.00 -1.70 3.04 -1.21 -2.20 114.94 115.05 2jie s ASN 357 Ca 0.01 1.18 0.00 0.00 0.04 0.00 0.00 52.86 54.09 2jie s ASN 357 Cb -0.13 1.07 0.00 0.00 -1.54 0.00 0.00 41.25 40.65 2jie s ASN 357 CO -0.20 -0.21 0.00 0.61 -3.04 0.00 0.00 177.10 174.26 2jie n GLY 358 N 4.19 -0.83 3.44 1.21 0.00 -1.26 -0.52 105.19 111.43 2jie n GLY 358 Ca -0.21 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 2jie n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jie s ALA 359 N -1.00 -1.51 -0.21 4.61 0.00 -1.26 -4.94 121.76 117.45 2jie s ALA 359 Ca 0.00 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 52.78 2jie s ALA 359 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2jie s ALA 359 CO 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 175.76 175.33 2jie s ALA 360 N -1.95 3.10 0.36 0.00 0.00 -1.26 -4.48 121.76 117.54 2jie s ALA 360 Ca -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2jie s ALA 360 Cb -0.01 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2jie s ALA 360 CO 0.03 -0.18 0.11 -1.64 0.00 0.00 0.00 175.76 174.08 2jie s MET 361 N 1.05 1.75 0.00 0.00 -1.94 -1.24 0.52 119.30 119.45 2jie s MET 361 Ca 0.03 -2.03 -0.27 0.00 -1.71 0.00 0.00 55.69 51.71 2jie s MET 361 Cb -0.14 -0.56 -0.04 0.00 2.01 0.00 0.00 34.83 36.09 2jie s MET 361 CO 0.02 -0.38 0.85 1.03 -0.01 0.00 0.00 175.02 176.53 2jie s ARG 362 N -3.81 4.53 -0.04 2.03 0.52 -1.26 -4.56 118.95 116.36 2jie s ARG 362 Ca 0.30 1.19 0.02 0.00 -0.52 0.00 0.00 55.73 56.73 2jie s ARG 362 Cb 0.05 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 2jie s ARG 362 CO 0.15 0.08 -0.09 -0.51 0.02 0.00 0.00 175.30 174.95 2jie s ASP 363 N 0.61 4.44 0.02 0.23 -0.00 -1.26 -4.99 116.67 115.72 2jie s ASP 363 Ca 0.44 -0.12 0.02 0.00 -0.00 0.00 0.00 52.55 52.89 2jie s ASP 363 Cb -0.20 -1.03 -0.01 0.00 -0.00 0.00 0.00 42.92 41.67 2jie s ASP 363 CO 0.24 0.33 -0.07 -0.70 -0.00 0.00 0.00 175.17 174.97 2jie s GLU 364 N -0.99 0.50 -0.19 8.23 2.12 -1.26 -5.14 118.70 121.98 2jie s GLU 364 Ca 0.14 -0.48 -0.14 0.00 0.36 0.00 0.00 54.97 54.84 2jie s GLU 364 Cb -0.11 -0.39 -0.04 0.00 0.26 0.00 0.00 34.13 33.85 2jie s GLU 364 CO 0.03 0.09 0.33 -0.51 -0.54 0.00 0.00 175.26 174.66 2jie s LEU 365 N -0.84 4.18 -0.52 2.70 1.02 -1.26 -4.32 118.68 119.63 2jie s LEU 365 Ca -0.03 0.46 0.04 0.00 0.02 0.00 0.00 54.13 54.61 2jie s LEU 365 Cb -0.06 -2.41 0.13 0.00 0.02 0.00 0.00 46.19 43.87 2jie s LEU 365 CO 0.00 0.00 0.27 -0.69 0.02 0.00 0.00 176.35 175.95 2jie s VAL 366 N 0.98 2.46 -0.72 -1.59 1.01 0.05 -4.85 120.40 117.74 2jie s VAL 366 Ca 0.17 -3.28 -0.04 0.00 0.00 0.00 0.00 61.98 58.82 2jie s VAL 366 Cb -0.14 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.54 2jie s VAL 366 CO 0.06 -0.82 0.66 0.59 0.00 0.00 0.00 175.10 175.59 2jie n ASN 367 N 3.10 -6.88 0.00 3.32 3.02 -1.26 -2.71 115.26 113.85 2jie n ASN 367 Ca 0.06 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2jie n ASN 367 Cb 0.32 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 2jie n ASN 367 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jie n GLY 368 N -1.49 0.14 3.04 7.41 0.00 -1.26 -4.96 105.19 108.07 2jie n GLY 368 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2jie n GLY 368 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jie s GLN 369 N -1.21 0.51 -0.29 1.61 -2.07 -1.10 -4.93 119.66 112.18 2jie s GLN 369 Ca 0.00 -0.65 -0.04 0.00 -1.82 0.00 0.00 55.36 52.86 2jie s GLN 369 Cb 0.00 -0.32 0.03 0.00 -1.09 0.00 0.00 33.01 31.63 2jie s GLN 369 CO 0.00 0.06 0.01 0.42 -1.32 0.00 0.00 175.29 174.47 2jie s ILE 370 N -1.13 3.31 -1.36 3.63 1.09 -1.26 -0.77 121.20 124.72 2jie s ILE 370 Ca -0.07 -1.05 -0.11 0.00 -1.10 0.00 0.00 60.65 58.31 2jie s ILE 370 Cb -0.08 -2.77 0.11 0.00 -1.06 0.00 0.00 42.46 38.65 2jie s ILE 370 CO 0.00 0.03 2.02 -0.62 -0.10 0.00 0.00 174.94 176.28 2jie n GLU 371 N 4.73 3.29 -1.52 2.79 1.02 -1.26 -1.06 120.64 128.63 2jie n GLU 371 Ca -0.15 -3.14 -0.39 0.00 -0.02 0.00 0.00 57.16 53.46 2jie n GLU 371 Cb 0.46 -3.08 -0.02 0.00 -0.02 0.00 0.00 31.44 28.77 2jie n GLU 371 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2jie n ASP 372 N 4.85 8.46 -0.30 1.62 5.75 -1.26 -4.61 116.55 131.07 2jie n ASP 372 Ca 0.45 -2.75 0.09 0.00 -0.01 0.00 0.00 54.79 52.57 2jie n ASP 372 Cb 0.38 -1.50 0.31 0.00 -1.03 0.00 0.00 41.12 39.28 2jie n ASP 372 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2jie h THR 373 N 2.90 0.91 0.64 2.12 2.02 -1.98 -0.89 112.91 118.64 2jie h THR 373 Ca 0.82 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.69 2jie h THR 373 Cb 0.30 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2jie h THR 373 CO 1.70 0.15 -0.42 1.23 0.37 0.00 0.00 175.52 178.55 2jie h GLY 374 N 0.84 -1.12 0.64 2.16 0.00 -1.98 0.12 103.07 103.73 2jie h GLY 374 Ca 0.44 0.47 0.07 0.00 0.00 0.00 0.00 47.33 48.31 2jie h GLY 374 CO -0.21 -0.39 0.37 -0.09 0.00 0.00 0.00 176.54 176.23 2jie h ARG 375 N -1.01 0.65 0.08 4.80 2.43 -1.80 -2.14 114.38 117.40 2jie h ARG 375 Ca -0.08 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 2jie h ARG 375 Cb 0.82 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 2jie h ARG 375 CO 0.07 0.43 -0.33 1.25 -1.51 0.00 0.00 179.97 179.88 2jie h HIS 376 N 0.67 -0.90 -0.42 2.20 2.76 -0.98 -1.48 115.15 117.01 2jie h HIS 376 Ca 0.31 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.59 2jie h HIS 376 Cb 0.22 0.38 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 2jie h HIS 376 CO -0.08 -0.43 0.29 0.78 -1.30 0.00 0.00 177.93 177.19 2jie h GLY 377 N -0.53 0.22 0.87 5.26 0.00 -0.27 -2.32 103.07 106.30 2jie h GLY 377 Ca 0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 2jie h GLY 377 CO -0.22 0.04 -0.12 -1.82 0.00 0.00 0.00 176.54 174.42 2jie h TYR 378 N 0.16 0.63 0.04 5.60 5.03 -0.66 -1.56 116.97 126.20 2jie h TYR 378 Ca 0.19 -0.15 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 2jie h TYR 378 Cb 0.56 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2jie h TYR 378 CO -0.00 0.80 -0.02 0.82 -1.32 0.00 0.00 178.16 178.44 2jie h ILE 379 N 0.28 1.15 -0.03 1.81 2.04 -0.86 -2.23 117.51 119.67 2jie h ILE 379 Ca 0.06 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.36 2jie h ILE 379 Cb 0.63 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 2jie h ILE 379 CO 0.04 0.15 -0.17 -0.08 0.00 0.00 0.00 178.15 178.09 2jie h GLU 380 N -0.31 -0.25 -0.71 2.37 4.81 -1.47 0.25 114.58 119.27 2jie h GLU 380 Ca -0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2jie h GLU 380 Cb 0.28 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2jie h GLU 380 CO 0.01 -0.17 0.45 0.93 -0.73 0.00 0.00 179.01 179.50 2jie h GLU 381 N -0.26 0.85 0.00 1.92 4.39 -1.32 -0.50 114.58 119.66 2jie h GLU 381 Ca 0.07 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2jie h GLU 381 Cb 0.35 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2jie h GLU 381 CO -0.19 0.56 -0.37 0.45 -1.16 0.00 0.00 179.01 178.31 2jie h HIS 382 N 0.88 0.00 0.00 4.33 3.86 -0.96 -2.29 115.15 120.97 2jie h HIS 382 Ca 0.29 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.39 2jie h HIS 382 Cb 0.01 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 2jie h HIS 382 CO -0.04 0.37 -0.51 -0.07 0.86 0.00 0.00 177.93 178.54 2jie h LEU 383 N 0.00 0.00 -1.13 2.43 3.38 0.79 -2.33 115.31 118.45 2jie h LEU 383 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jie h LEU 383 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2jie h LEU 383 CO 0.05 0.51 -0.25 0.11 0.09 0.00 0.00 178.44 178.94 2jie h LYS 384 N 0.00 0.29 -0.26 1.13 1.57 -0.55 -0.05 116.57 118.70 2jie h LYS 384 Ca -0.01 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2jie h LYS 384 Cb 0.98 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2jie h LYS 384 CO 0.07 0.53 -0.17 0.00 -0.57 0.00 0.00 179.45 179.31 2jie h ALA 385 N 1.48 0.37 -0.58 3.86 0.00 -1.31 -0.19 119.26 122.90 2jie h ALA 385 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2jie h ALA 385 Cb 0.60 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2jie h ALA 385 CO 0.04 0.28 0.24 0.00 0.00 0.00 0.00 179.25 179.81 2jie h HIS 387 N 0.83 0.92 -0.12 0.00 6.17 -0.72 -0.63 115.15 121.61 2jie h HIS 387 Ca 0.20 -0.17 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 2jie h HIS 387 Cb 0.15 -0.24 -0.01 0.00 2.52 0.00 0.00 27.41 29.83 2jie h HIS 387 CO 0.01 0.89 -0.25 -0.09 0.71 0.00 0.00 177.93 179.20 2jie h ARG 388 N 0.69 0.21 -0.15 5.26 2.43 -0.61 -2.36 114.38 119.85 2jie h ARG 388 Ca 0.13 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2jie h ARG 388 Cb 0.54 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2jie h ARG 388 CO 0.03 0.46 -0.01 0.35 -1.51 0.00 0.00 179.97 179.29 2jie h PHE 389 N 0.19 0.29 -3.88 2.20 3.57 -0.86 -3.23 116.94 115.23 2jie h PHE 389 Ca 0.03 -0.05 -0.44 0.00 3.53 0.00 0.00 57.97 61.04 2jie h PHE 389 Cb 0.55 -0.07 0.16 0.00 2.79 0.00 0.00 35.95 39.38 2jie h PHE 389 CO 0.01 0.51 0.24 0.42 -2.23 0.00 0.00 178.31 177.25 2jie s ILE 390 N -4.91 1.86 0.00 1.41 -1.09 -0.28 0.34 121.20 118.54 2jie s ILE 390 Ca -0.14 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 2jie s ILE 390 Cb 0.06 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 2jie s ILE 390 CO 0.72 0.00 0.00 1.21 -1.23 0.00 0.00 174.94 175.64 2jie n GLU 391 N -4.20 0.00 -0.26 2.79 2.13 -1.25 -4.42 120.64 115.44 2jie n GLU 391 Ca 0.10 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.02 2jie n GLU 391 Cb 0.59 -0.78 0.24 0.00 0.27 0.00 0.00 31.44 31.76 2jie n GLU 391 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2jie n GLU 392 N 0.00 2.61 0.00 5.31 2.13 -1.10 -4.92 120.64 124.68 2jie n GLU 392 Ca 0.00 -2.33 0.00 0.00 0.66 0.00 0.00 57.16 55.49 2jie n GLU 392 Cb 0.00 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.26 2jie n GLU 392 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jie n GLY 393 N 1.22 1.00 3.73 8.31 0.00 -1.19 -5.05 105.19 113.22 2jie n GLY 393 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2jie n GLY 393 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jie s GLY 394 N -1.92 2.48 -0.24 -0.02 0.00 0.15 -4.94 107.32 102.83 2jie s GLY 394 Ca 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 44.72 45.75 2jie s GLY 394 CO 0.00 2.02 1.90 -1.06 0.00 0.00 0.00 173.10 175.96 2jie n GLN 395 N 2.83 1.60 -2.69 2.90 1.13 -1.26 -4.46 117.38 117.43 2jie n GLN 395 Ca 0.06 -1.22 -0.43 0.00 -1.94 0.00 0.00 57.00 53.48 2jie n GLN 395 Cb 0.44 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.28 2jie n GLN 395 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jie s LEU 396 N -1.40 3.93 0.00 1.08 2.96 -1.26 -0.81 118.68 123.17 2jie s LEU 396 Ca 0.24 0.87 0.15 0.00 -0.22 0.00 0.00 54.13 55.17 2jie s LEU 396 Cb 0.19 -3.45 0.10 0.00 0.50 0.00 0.00 46.19 43.52 2jie s LEU 396 CO 0.00 -0.90 0.94 0.29 -1.32 0.00 0.00 176.35 175.37 2jie n LYS 397 N 6.90 1.21 -3.63 1.98 4.76 -0.13 -4.94 118.16 124.31 2jie n LYS 397 Ca 0.10 -1.28 -0.06 0.00 -2.87 0.00 0.00 58.31 54.21 2jie n LYS 397 Cb 0.48 -1.27 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 2jie n LYS 397 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2jie s GLY 398 N -1.33 -0.35 -0.23 0.72 0.00 -1.24 -0.81 107.32 104.07 2jie s GLY 398 Ca 0.16 0.53 -0.07 0.00 0.00 0.00 0.00 44.72 45.34 2jie s GLY 398 CO 0.22 0.15 0.49 -0.47 0.00 0.00 0.00 173.10 173.49 2jie s TYR 399 N -3.24 -0.99 -0.34 1.90 6.14 0.70 -2.05 117.35 119.47 2jie s TYR 399 Ca 0.09 1.73 -0.03 0.00 0.64 0.00 0.00 57.07 59.50 2jie s TYR 399 Cb -0.01 0.45 0.07 0.00 0.42 0.00 0.00 41.96 42.88 2jie s TYR 399 CO -0.03 -0.57 0.08 -0.06 0.64 0.00 0.00 175.55 175.61 2jie s PHE 400 N 2.70 3.37 0.15 4.97 0.40 0.93 -1.65 117.98 128.86 2jie s PHE 400 Ca -0.01 -2.00 -0.31 0.00 -0.60 0.00 0.00 56.93 54.00 2jie s PHE 400 Cb -0.12 -2.49 -0.11 0.00 0.51 0.00 0.00 43.02 40.81 2jie s PHE 400 CO -0.15 -0.85 1.81 0.54 0.70 0.00 0.00 175.22 177.27 2jie s VAL 401 N 1.23 2.36 0.08 -0.44 0.11 -0.49 -3.29 120.40 119.96 2jie s VAL 401 Ca -0.00 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 2jie s VAL 401 Cb -0.21 -3.01 -0.07 0.00 -1.53 0.00 0.00 36.38 31.56 2jie s VAL 401 CO -0.02 0.00 1.38 0.86 -3.33 0.00 0.00 175.10 173.99 2jie s TRP 402 N 2.31 3.16 -0.02 1.54 -0.11 0.32 -2.42 118.94 123.72 2jie s TRP 402 Ca 0.80 0.95 -0.01 0.00 1.22 0.00 0.00 56.10 59.05 2jie s TRP 402 Cb -0.47 -3.65 0.01 0.00 -1.50 0.00 0.00 33.47 27.85 2jie s TRP 402 CO 0.35 -2.31 0.03 0.45 -4.62 0.00 0.00 176.95 170.85 2jie n SER 403 N 4.31 -3.56 0.08 5.86 2.88 -0.56 -4.58 113.62 118.05 2jie n SER 403 Ca 0.12 0.57 -0.14 0.00 -1.33 0.00 0.00 58.87 58.09 2jie n SER 403 Cb 0.43 -2.43 -0.06 0.00 -0.75 0.00 0.00 64.21 61.40 2jie n SER 403 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2jie h PHE 404 N 1.42 0.56 -3.67 0.66 3.57 -1.77 -3.11 116.94 114.61 2jie h PHE 404 Ca -0.06 -0.33 -0.40 0.00 3.53 0.00 0.00 57.97 60.71 2jie h PHE 404 Cb 0.14 -0.05 -0.19 0.00 2.79 0.00 0.00 35.95 38.64 2jie h PHE 404 CO 0.00 1.17 -0.76 -0.51 -2.23 0.00 0.00 178.31 175.98 2jie s LEU 405 N -7.57 2.38 0.47 0.59 1.43 -1.26 -2.00 118.68 112.72 2jie s LEU 405 Ca -0.05 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.02 2jie s LEU 405 Cb 0.08 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.73 2jie s LEU 405 CO 0.87 -0.15 1.39 0.47 0.23 0.00 0.00 176.35 179.15 2jie n ASP 406 N 0.66 3.03 -0.99 2.29 8.00 -1.20 -4.10 116.55 124.24 2jie n ASP 406 Ca -0.16 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.42 2jie n ASP 406 Cb 0.57 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 2jie n ASP 406 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jie n ASN 407 N -0.31 0.00 -4.59 -2.24 0.23 -1.26 -4.81 115.26 102.28 2jie n ASN 407 Ca 0.07 -0.99 -0.42 0.00 -0.53 0.00 0.00 54.58 52.70 2jie n ASN 407 Cb 0.42 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.09 2jie n ASN 407 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 2jie s PHE 408 N -6.91 1.93 -1.32 -2.53 5.36 -0.82 -4.58 117.98 109.11 2jie s PHE 408 Ca 0.00 0.66 -0.06 0.00 -0.96 0.00 0.00 56.93 56.57 2jie s PHE 408 Cb 0.00 -4.18 0.12 0.00 -0.34 0.00 0.00 43.02 38.63 2jie s PHE 408 CO 0.00 -2.54 2.33 -1.91 -1.46 0.00 0.00 175.22 171.64 2jie n GLU 409 N 8.54 4.46 0.00 10.12 4.07 0.17 -4.74 120.64 143.27 2jie n GLU 409 Ca 0.20 -3.46 0.00 0.00 -0.06 0.00 0.00 57.16 53.84 2jie n GLU 409 Cb 0.48 -2.67 0.00 0.00 -0.06 0.00 0.00 31.44 29.19 2jie n GLU 409 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 2jie n TRP 410 N 2.02 0.00 0.30 4.31 7.02 -1.26 -0.05 117.44 129.78 2jie n TRP 410 Ca 0.60 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 57.23 2jie n TRP 410 Cb 0.26 0.00 0.70 0.00 -2.42 0.00 0.00 31.31 29.86 2jie n TRP 410 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2jie h ALA 411 N -0.04 1.00 0.00 6.99 0.00 -1.85 -0.40 119.26 124.96 2jie h ALA 411 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jie h ALA 411 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jie h ALA 411 CO 0.00 0.00 -0.40 0.91 0.00 0.00 0.00 179.25 179.76 2jie n TRP 412 N -2.63 0.08 -4.75 0.00 7.02 0.93 -0.48 117.44 117.61 2jie n TRP 412 Ca -0.00 0.02 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2jie n TRP 412 Cb 0.18 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 28.71 2jie n TRP 412 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jie n GLY 413 N 1.48 1.76 0.02 6.99 0.00 -0.16 -3.02 105.19 112.26 2jie n GLY 413 Ca 0.06 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.62 2jie n GLY 413 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jie n TYR 414 N 8.78 0.00 0.32 1.61 4.01 -1.26 0.46 117.16 131.08 2jie n TYR 414 Ca 0.00 0.00 0.20 0.00 -0.16 0.00 0.00 57.90 57.94 2jie n TYR 414 Cb 0.00 -0.29 1.09 0.00 -0.31 0.00 0.00 39.34 39.82 2jie n TYR 414 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2jie h SER 415 N 0.12 0.00 -3.35 7.72 4.64 -1.88 -3.39 113.55 117.40 2jie h SER 415 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 2jie h SER 415 Cb 0.49 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.32 2jie h SER 415 CO 0.00 0.00 -0.73 -0.54 -0.87 0.00 0.00 176.83 174.69 2jie s LYS 416 N -4.28 3.41 -0.27 4.77 -0.14 -1.26 -5.06 119.74 116.92 2jie s LYS 416 Ca -0.05 -0.63 -0.06 0.00 -1.36 0.00 0.00 55.97 53.87 2jie s LYS 416 Cb 0.13 -2.86 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 2jie s LYS 416 CO 0.43 -0.00 0.03 1.03 -0.76 0.00 0.00 175.35 176.09 2jie s ARG 417 N 0.95 3.20 0.00 1.68 0.52 -1.26 -4.56 118.95 119.47 2jie s ARG 417 Ca -0.01 -0.77 0.18 0.00 -0.52 0.00 0.00 55.73 54.62 2jie s ARG 417 Cb -0.15 -3.24 0.06 0.00 0.52 0.00 0.00 34.95 32.15 2jie s ARG 417 CO 0.00 -0.35 1.00 1.19 0.02 0.00 0.00 175.30 177.16 2jie n PHE 418 N 4.83 0.00 -1.65 -0.53 3.01 -1.26 -3.67 117.46 118.19 2jie n PHE 418 Ca -0.16 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 57.95 2jie n PHE 418 Cb 0.49 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.03 2jie n PHE 418 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2jie s GLY 419 N -1.82 2.52 -0.01 1.37 0.00 -1.26 -4.53 107.32 103.59 2jie s GLY 419 Ca 0.18 0.95 0.21 0.00 0.00 0.00 0.00 44.72 46.06 2jie s GLY 419 CO 0.35 1.35 0.77 0.29 0.00 0.00 0.00 173.10 175.86 2jie n ILE 420 N -2.29 0.00 -3.97 0.90 -5.35 -1.17 -4.81 119.36 102.67 2jie n ILE 420 Ca 0.14 -0.16 -0.35 0.00 -0.27 0.00 0.00 62.75 62.12 2jie n ILE 420 Cb 0.50 0.69 -0.14 0.00 -1.74 0.00 0.00 39.64 38.94 2jie n ILE 420 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2jie s VAL 421 N -3.15 3.10 0.24 7.28 1.01 -0.85 -0.53 120.40 127.51 2jie s VAL 421 Ca 0.03 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 2jie s VAL 421 Cb 0.15 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 2jie s VAL 421 CO 0.88 0.45 1.23 -2.28 0.00 0.00 0.00 175.10 175.38 2jie s HIS 422 N 1.41 3.33 -0.14 5.22 2.46 0.33 -3.23 115.29 124.67 2jie s HIS 422 Ca 0.05 1.43 -0.02 0.00 0.47 0.00 0.00 55.06 57.00 2jie s HIS 422 Cb -0.14 -3.50 -0.02 0.00 -0.13 0.00 0.00 32.58 28.79 2jie s HIS 422 CO -0.05 -1.38 -0.08 0.42 -2.47 0.00 0.00 174.74 171.17 2jie s ILE 423 N -0.52 3.49 -0.50 0.89 -1.09 -1.26 -1.89 121.20 120.32 2jie s ILE 423 Ca 0.51 -0.51 -0.13 0.00 -2.23 0.00 0.00 60.65 58.29 2jie s ILE 423 Cb -0.35 -2.50 0.11 0.00 -1.58 0.00 0.00 42.46 38.15 2jie s ILE 423 CO 0.42 0.51 0.41 0.21 -1.23 0.00 0.00 174.94 175.26 2jie s ASN 424 N 0.30 5.96 0.02 3.58 3.84 -1.07 -4.95 114.94 122.62 2jie s ASN 424 Ca -0.07 -1.74 0.11 0.00 0.21 0.00 0.00 52.86 51.37 2jie s ASN 424 Cb -0.15 -2.12 0.49 0.00 -0.55 0.00 0.00 41.25 38.92 2jie s ASN 424 CO 0.04 -0.74 1.36 -1.22 -2.79 0.00 0.00 177.10 173.75 2jie n TYR 425 N 5.09 0.05 0.11 0.43 4.01 -1.26 0.29 117.16 125.87 2jie n TYR 425 Ca -0.11 0.02 0.03 0.00 -0.16 0.00 0.00 57.90 57.67 2jie n TYR 425 Cb 0.41 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.90 2jie n TYR 425 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2jie h GLU 426 N 0.00 0.00 0.00 -0.72 4.39 -1.98 -3.38 114.58 112.89 2jie h GLU 426 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jie h GLU 426 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2jie h GLU 426 CO 0.00 0.39 0.00 0.25 -1.16 0.00 0.00 179.01 178.49 2jie n THR 427 N -3.08 0.00 -0.74 1.13 -2.24 -0.74 -5.01 114.28 103.60 2jie n THR 427 Ca -0.02 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2jie n THR 427 Cb 0.75 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 2jie n THR 427 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jie n GLN 428 N -0.42 -0.59 -2.43 -0.78 1.13 0.83 -4.96 117.38 110.16 2jie n GLN 428 Ca 0.00 0.15 -0.39 0.00 -1.94 0.00 0.00 57.00 54.82 2jie n GLN 428 Cb 0.03 -4.30 -0.03 0.00 0.11 0.00 0.00 30.24 26.05 2jie n GLN 428 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2jie s GLU 429 N -1.10 4.31 0.14 -1.09 -1.05 -1.23 -4.73 118.70 113.95 2jie s GLU 429 Ca 0.00 1.74 -0.12 0.00 -0.15 0.00 0.00 54.97 56.44 2jie s GLU 429 Cb 0.00 -2.83 -0.07 0.00 -0.44 0.00 0.00 34.13 30.79 2jie s GLU 429 CO 0.00 -0.07 0.50 1.03 0.95 0.00 0.00 175.26 177.67 2jie s ARG 430 N -2.03 3.86 -0.23 -4.83 3.00 -1.26 -2.60 118.95 114.86 2jie s ARG 430 Ca 0.52 0.33 -0.03 0.00 0.00 0.00 0.00 55.73 56.55 2jie s ARG 430 Cb -0.29 -2.89 0.13 0.00 0.00 0.00 0.00 34.95 31.90 2jie s ARG 430 CO 0.37 0.47 0.38 0.99 0.00 0.00 0.00 175.30 177.51 2jie s THR 431 N -1.52 -0.61 0.42 0.02 2.01 -0.79 -4.99 115.64 110.17 2jie s THR 431 Ca 0.38 -0.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 2jie s THR 431 Cb -0.14 -0.78 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 2jie s THR 431 CO 0.19 -0.08 1.43 -2.84 -0.69 0.00 0.00 174.62 172.63 2jie s PRO 432 N 2.56 3.87 0.45 4.92 0.02 -1.26 0.12 135.00 145.68 2jie s PRO 432 Ca 0.10 2.44 -0.02 0.00 0.02 0.00 0.00 61.00 63.54 2jie s PRO 432 Cb -0.15 -2.78 -0.02 0.00 0.02 0.00 0.00 34.50 31.57 2jie s PRO 432 CO -0.15 -0.68 0.70 0.15 -0.33 0.00 0.00 177.00 176.69 2jie s LYS 433 N -2.29 3.30 0.23 5.54 1.02 0.31 -4.47 119.74 123.38 2jie s LYS 433 Ca 0.58 -0.19 -0.06 0.00 0.02 0.00 0.00 55.97 56.32 2jie s LYS 433 Cb -0.44 -2.50 0.37 0.00 -0.52 0.00 0.00 37.83 34.74 2jie s LYS 433 CO 0.58 -0.19 1.77 1.96 -0.92 0.00 0.00 175.35 178.55 2jie h GLN 434 N 0.38 0.56 -0.84 1.68 1.08 -1.37 0.21 115.11 116.80 2jie h GLN 434 Ca -0.47 -0.03 0.17 0.00 -1.45 0.00 0.00 58.65 56.86 2jie h GLN 434 Cb 1.23 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 28.47 2jie h GLN 434 CO 0.60 0.37 0.56 0.66 -0.95 0.00 0.00 178.83 180.07 2jie h SER 435 N 0.58 0.46 -0.29 1.46 4.64 -1.81 0.17 113.55 118.77 2jie h SER 435 Ca 0.37 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.63 2jie h SER 435 Cb 0.43 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2jie h SER 435 CO -0.30 0.22 -0.15 0.00 -0.87 0.00 0.00 176.83 175.73 2jie h ALA 436 N 1.62 1.00 -0.18 5.18 0.00 -0.72 -1.12 119.26 125.04 2jie h ALA 436 Ca 0.43 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2jie h ALA 436 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jie h ALA 436 CO -0.16 0.60 -0.49 -0.07 0.00 0.00 0.00 179.25 179.12 2jie h LEU 437 N 0.65 0.52 -0.74 0.00 3.38 -0.39 -2.30 115.31 116.44 2jie h LEU 437 Ca 0.11 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2jie h LEU 437 Cb 0.62 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2jie h LEU 437 CO 0.04 0.93 -0.04 -0.25 0.09 0.00 0.00 178.44 179.21 2jie h TRP 438 N 0.38 1.00 -0.49 1.13 7.01 -0.56 -2.28 115.95 122.15 2jie h TRP 438 Ca 0.02 -0.17 -0.10 0.00 2.11 0.00 0.00 58.89 60.75 2jie h TRP 438 Cb 1.00 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.78 2jie h TRP 438 CO 0.04 0.92 -0.08 0.35 -2.79 0.00 0.00 178.44 176.88 2jie h PHE 439 N 0.84 1.02 -0.66 2.65 3.57 -1.02 -0.68 116.94 122.66 2jie h PHE 439 Ca 0.15 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2jie h PHE 439 Cb 0.56 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2jie h PHE 439 CO 0.03 0.98 0.42 -0.22 -2.23 0.00 0.00 178.31 177.29 2jie h LYS 440 N 0.77 0.88 -0.20 1.11 3.64 -1.20 0.47 116.57 122.03 2jie h LYS 440 Ca 0.13 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 2jie h LYS 440 Cb 0.63 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2jie h LYS 440 CO 0.04 0.61 0.02 1.96 -2.27 0.00 0.00 179.45 179.81 2jie h GLN 441 N 0.89 0.34 0.11 1.90 1.08 -1.30 -2.60 115.11 115.53 2jie h GLN 441 Ca 0.24 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2jie h GLN 441 Cb -0.06 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 2jie h GLN 441 CO -0.05 0.50 -0.24 1.98 -0.95 0.00 0.00 178.83 180.07 2jie h MET 442 N 0.12 -0.43 -0.14 1.46 4.05 -0.74 -0.65 114.93 118.60 2jie h MET 442 Ca 0.06 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.55 2jie h MET 442 Cb 0.34 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 2jie h MET 442 CO 0.01 -0.28 0.14 0.52 0.23 0.00 0.00 176.91 177.52 2jie h MET 443 N -0.44 0.00 0.58 0.39 2.86 -0.91 0.61 114.93 118.02 2jie h MET 443 Ca 0.03 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2jie h MET 443 Cb 0.47 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.14 2jie h MET 443 CO -0.15 0.00 -0.28 0.00 1.06 0.00 0.00 176.91 177.55 2jie h ALA 444 N 1.84 -1.08 0.00 6.32 0.00 -0.72 -2.83 119.26 122.80 2jie h ALA 444 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jie h ALA 444 Cb 0.35 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jie h ALA 444 CO -0.00 -1.02 0.00 1.63 0.00 0.00 0.00 179.25 179.86 2jie n LYS 445 N -4.34 0.19 -2.95 0.00 4.76 -0.98 -4.87 118.16 109.97 2jie n LYS 445 Ca -0.10 0.10 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2jie n LYS 445 Cb 0.31 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.03 2jie n LYS 445 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jie n ASN 446 N -1.37 -6.02 0.00 4.39 2.85 0.21 -4.89 115.26 110.42 2jie n ASN 446 Ca 0.08 -0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2jie n ASN 446 Cb 0.21 -4.89 0.00 0.00 1.24 0.00 0.00 39.78 36.34 2jie n ASN 446 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jie n GLY 447 N -1.44 -0.94 0.00 8.20 0.00 -0.76 -1.55 105.19 108.69 2jie n GLY 447 Ca -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2jie n GLY 447 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29