#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s2j s PRO 12 N 0.00 3.47 -0.76 0.00 0.02 -1.26 -4.96 135.00 131.51 1s2j s PRO 12 Ca 0.00 1.63 -0.23 0.00 0.02 0.00 0.00 61.00 62.42 1s2j s PRO 12 Cb 0.00 -2.10 0.07 0.00 0.02 0.00 0.00 34.50 32.49 1s2j s PRO 12 CO 0.00 -0.76 1.10 0.99 -0.33 0.00 0.00 177.00 178.00 1s2j s THR 13 N -1.73 4.24 0.12 0.99 2.01 -1.26 -4.99 115.64 115.02 1s2j s THR 13 Ca 0.70 -0.47 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 1s2j s THR 13 Cb -0.24 -4.78 -0.10 0.00 0.01 0.00 0.00 72.50 67.38 1s2j s THR 13 CO 0.28 -1.59 1.77 -0.63 -0.69 0.00 0.00 174.62 173.76 1s2j s ILE 14 N 4.23 2.57 -0.68 1.82 1.01 -1.26 -4.60 121.20 124.29 1s2j s ILE 14 Ca 0.29 0.14 -0.27 0.00 0.00 0.00 0.00 60.65 60.81 1s2j s ILE 14 Cb -0.11 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1s2j s ILE 14 CO 0.06 0.00 1.35 -0.54 0.00 0.00 0.00 174.94 175.81 1s2j s LYS 15 N 2.48 3.18 0.85 2.79 -0.14 0.23 -4.91 119.74 124.21 1s2j s LYS 15 Ca 0.78 0.01 -0.13 0.00 -1.36 0.00 0.00 55.97 55.28 1s2j s LYS 15 Cb -0.45 -4.18 0.09 0.00 -1.68 0.00 0.00 37.83 31.61 1s2j s LYS 15 CO 0.35 -2.13 1.07 1.28 -0.76 0.00 0.00 175.35 175.16 1s2j n LEU 16 N 9.68 3.47 -0.30 3.17 4.32 -1.26 -1.21 117.00 134.87 1s2j n LEU 16 Ca 0.07 0.52 -0.08 0.00 -0.02 0.00 0.00 56.01 56.50 1s2j n LEU 16 Cb 0.49 -1.45 -0.07 0.00 -1.62 0.00 0.00 43.42 40.77 1s2j n LEU 16 CO 0.71 -2.09 0.41 1.17 -1.22 0.00 0.00 177.39 176.37 1s2j n LYS 17 N -3.22 -0.31 0.24 3.23 3.00 -1.26 -1.14 118.16 118.70 1s2j n LYS 17 Ca 0.12 1.21 0.08 0.00 -0.00 0.00 0.00 58.31 59.73 1s2j n LYS 17 Cb 0.51 -1.79 0.58 0.00 0.00 0.00 0.00 35.03 34.33 1s2j n LYS 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s2j h ARG 18 N 0.00 0.00 0.00 1.64 3.08 -1.91 -1.58 114.38 115.61 1s2j h ARG 18 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1s2j h ARG 18 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1s2j h ARG 18 CO -0.66 0.19 -0.07 1.96 -1.07 0.00 0.00 179.97 180.31 1s2j h GLN 19 N 0.00 0.00 -0.42 0.04 4.20 -1.46 -2.74 115.11 114.72 1s2j h GLN 19 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s2j h GLN 19 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1s2j h GLN 19 CO 0.02 0.07 0.00 -2.67 -0.67 0.00 0.00 178.83 175.58 1s2j n TRP 20 N -3.27 0.56 -0.87 2.96 4.27 -0.66 -4.97 117.44 115.45 1s2j n TRP 20 Ca -0.01 -0.41 0.00 0.00 -3.89 0.00 0.00 57.50 53.20 1s2j n TRP 20 Cb 0.28 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.22 1s2j n TRP 20 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1s2j n GLY 21 N 0.98 0.51 3.78 -1.67 0.00 -1.04 -4.80 105.19 102.95 1s2j n GLY 21 Ca 0.16 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1s2j n GLY 21 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s2j s GLY 22 N -2.82 2.58 0.51 -0.02 0.00 -0.79 -4.95 107.32 101.84 1s2j s GLY 22 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 44.72 45.41 1s2j s GLY 22 CO 0.00 1.13 0.87 0.54 0.00 0.00 0.00 173.10 175.64 1s2j s LYS 23 N -3.36 3.63 0.74 2.90 -0.14 -1.26 -4.52 119.74 117.73 1s2j s LYS 23 Ca 0.72 0.47 -0.13 0.00 -1.36 0.00 0.00 55.97 55.66 1s2j s LYS 23 Cb -0.23 -2.27 0.04 0.00 -1.68 0.00 0.00 37.83 33.69 1s2j s LYS 23 CO 0.28 -0.28 1.14 -1.25 -0.76 0.00 0.00 175.35 174.47 1s2j s PRO 24 N -4.65 2.23 0.53 -1.68 0.04 -1.26 -5.01 135.00 125.20 1s2j s PRO 24 Ca 0.51 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.82 1s2j s PRO 24 Cb -0.10 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1s2j s PRO 24 CO 0.44 -1.71 1.27 0.45 0.04 0.00 0.00 177.00 177.49 1s2j s SER 25 N -2.59 5.50 0.00 6.66 0.15 -1.26 -4.93 113.70 117.23 1s2j s SER 25 Ca 0.68 2.56 0.25 0.00 0.70 0.00 0.00 55.95 60.14 1s2j s SER 25 Cb -0.23 -2.62 0.76 0.00 -1.71 0.00 0.00 66.02 62.22 1s2j s SER 25 CO 0.48 -1.39 1.57 0.18 1.20 0.00 0.00 173.24 175.28 1s2j n LEU 26 N -0.99 1.99 0.00 3.45 4.77 0.13 -4.91 117.00 121.44 1s2j n LEU 26 Ca 0.10 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1s2j n LEU 26 Cb 0.47 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1s2j n LEU 26 CO 0.50 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1s2j n GLY 27 N 1.22 1.14 3.53 -0.72 0.00 -1.26 -4.99 105.19 104.11 1s2j n GLY 27 Ca 0.17 0.36 -0.34 0.00 0.00 0.00 0.00 46.02 46.21 1s2j n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s2j s LEU 28 N 0.00 3.33 -0.13 0.99 1.43 -1.26 -4.84 118.68 118.20 1s2j s LEU 28 Ca 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1s2j s LEU 28 Cb 0.00 -1.80 0.04 0.00 0.03 0.00 0.00 46.19 44.45 1s2j s LEU 28 CO 0.00 0.19 -0.03 -1.00 0.23 0.00 0.00 176.35 175.74 1s2j s HIS 29 N 0.24 1.27 0.28 0.29 3.76 -1.26 -5.07 115.29 114.80 1s2j s HIS 29 Ca -0.02 -0.71 -0.28 0.00 -0.15 0.00 0.00 55.06 53.90 1s2j s HIS 29 Cb -0.14 -1.12 -0.09 0.00 1.11 0.00 0.00 32.58 32.34 1s2j s HIS 29 CO 0.03 -0.51 0.95 0.71 -0.85 0.00 0.00 174.74 175.07 1s2j s TYR 30 N 1.78 3.84 0.27 1.40 1.51 -1.26 -1.19 117.35 123.69 1s2j s TYR 30 Ca 0.03 1.85 -0.09 0.00 -1.01 0.00 0.00 57.07 57.85 1s2j s TYR 30 Cb -0.14 -2.98 -0.07 0.00 -0.11 0.00 0.00 41.96 38.67 1s2j s TYR 30 CO -0.07 0.29 0.59 -0.65 -1.11 0.00 0.00 175.55 174.60 1s2j s GLN 31 N -1.57 3.77 0.13 -0.62 -0.21 0.16 -4.82 119.66 116.50 1s2j s GLN 31 Ca 0.45 0.26 -0.29 0.00 0.02 0.00 0.00 55.36 55.80 1s2j s GLN 31 Cb -0.23 -2.60 -0.07 0.00 1.00 0.00 0.00 33.01 31.11 1s2j s GLN 31 CO 0.29 0.23 0.93 0.08 -2.12 0.00 0.00 175.29 174.70 1s2j s VAL 32 N -1.97 4.43 1.03 1.09 1.01 -1.26 -4.91 120.40 119.81 1s2j s VAL 32 Ca 0.47 2.01 -0.15 0.00 0.00 0.00 0.00 61.98 64.32 1s2j s VAL 32 Cb -0.11 -4.29 0.20 0.00 0.00 0.00 0.00 36.38 32.18 1s2j s VAL 32 CO 0.24 0.37 1.14 -0.60 0.00 0.00 0.00 175.10 176.26 1s2j s ARG 33 N -0.31 0.19 0.00 2.72 3.52 -1.26 -4.16 118.95 119.65 1s2j s ARG 33 Ca 0.44 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 1s2j s ARG 33 Cb -0.24 -1.74 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 1s2j s ARG 33 CO 0.29 -2.81 0.00 -2.30 -0.81 0.00 0.00 175.30 169.67 1s2j n PRO 34 N -4.16 0.00 -2.99 5.12 -0.01 -1.25 -5.04 135.00 126.66 1s2j n PRO 34 Ca 0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 63.50 63.18 1s2j n PRO 34 Cb 0.59 0.00 -0.05 0.00 -0.01 0.00 0.00 33.50 34.03 1s2j n PRO 34 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 1s2j s ILE 35 N 0.00 4.75 -1.44 4.25 -1.09 0.52 -4.77 121.20 123.41 1s2j s ILE 35 Ca 0.00 1.61 0.18 0.00 -2.23 0.00 0.00 60.65 60.20 1s2j s ILE 35 Cb 0.00 -4.10 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1s2j s ILE 35 CO 0.00 0.36 0.87 0.54 -1.23 0.00 0.00 174.94 175.48 1s2j n ARG 36 N 2.83 1.54 -4.51 2.79 1.74 -1.25 -1.33 116.66 118.47 1s2j n ARG 36 Ca -0.03 -0.68 -0.22 0.00 -0.77 0.00 0.00 57.85 56.16 1s2j n ARG 36 Cb 0.50 -1.32 -0.16 0.00 -1.02 0.00 0.00 32.46 30.47 1s2j n ARG 36 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1s2j s TYR 37 N -2.16 1.14 -0.10 -1.55 1.51 -1.23 -0.12 117.35 114.83 1s2j s TYR 37 Ca 0.13 -0.29 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 1s2j s TYR 37 Cb 0.14 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.21 1s2j s TYR 37 CO 0.50 -0.10 -0.23 0.08 -1.11 0.00 0.00 175.55 174.69 1s2j s VAL 38 N 0.09 1.98 -0.17 0.71 1.01 0.83 -1.74 120.40 123.12 1s2j s VAL 38 Ca -0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1s2j s VAL 38 Cb -0.09 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1s2j s VAL 38 CO 0.01 0.54 -0.03 -0.69 0.00 0.00 0.00 175.10 174.93 1s2j s VAL 39 N 0.43 3.90 -0.22 2.92 1.01 -0.25 -1.02 120.40 127.17 1s2j s VAL 39 Ca -0.17 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1s2j s VAL 39 Cb -0.17 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1s2j s VAL 39 CO 0.07 0.48 0.13 -0.63 0.00 0.00 0.00 175.10 175.15 1s2j s ILE 40 N 0.51 5.26 0.29 2.22 -1.09 -0.07 -0.85 121.20 127.48 1s2j s ILE 40 Ca -0.03 0.14 0.06 0.00 -2.23 0.00 0.00 60.65 58.59 1s2j s ILE 40 Cb -0.14 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.25 1s2j s ILE 40 CO 0.03 0.39 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.10 1s2j s HIS 41 N 0.74 1.95 0.24 3.97 3.76 0.03 -1.81 115.29 124.17 1s2j s HIS 41 Ca 0.07 -0.77 0.11 0.00 -0.15 0.00 0.00 55.06 54.32 1s2j s HIS 41 Cb -0.13 -1.17 -0.05 0.00 1.11 0.00 0.00 32.58 32.35 1s2j s HIS 41 CO 0.02 0.21 -0.14 -3.38 -0.85 0.00 0.00 174.74 170.59 1s2j s HIS 42 N -3.09 2.45 -0.65 1.40 -3.43 -1.26 -1.30 115.29 109.42 1s2j s HIS 42 Ca 0.31 -0.29 0.25 0.00 -0.80 0.00 0.00 55.06 54.53 1s2j s HIS 42 Cb 0.05 -1.12 0.62 0.00 -1.43 0.00 0.00 32.58 30.70 1s2j s HIS 42 CO 0.13 0.62 1.65 1.79 -2.00 0.00 0.00 174.74 176.92 1s2j h THR 43 N 2.44 0.00 -2.93 -5.38 1.35 -1.19 -3.47 112.91 103.74 1s2j h THR 43 Ca -0.43 -0.59 -0.42 0.00 -0.55 0.00 0.00 66.41 64.42 1s2j h THR 43 Cb 1.24 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 69.13 1s2j h THR 43 CO 0.57 0.00 -0.53 0.52 -0.25 0.00 0.00 175.52 175.83 1s2j n VAL 44 N -2.40 -0.94 -4.00 6.82 0.31 -0.46 -4.93 118.33 112.72 1s2j n VAL 44 Ca 0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1s2j n VAL 44 Cb 0.45 -2.92 -0.01 0.00 -0.91 0.00 0.00 33.84 30.45 1s2j n VAL 44 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1s2j n THR 45 N -3.93 0.00 -0.77 2.52 -2.24 -1.21 -4.92 114.28 103.73 1s2j n THR 45 Ca -0.25 -1.07 -0.29 0.00 -2.27 0.00 0.00 64.05 60.17 1s2j n THR 45 Cb 0.69 -0.04 0.21 0.00 -2.10 0.00 0.00 70.33 69.09 1s2j n THR 45 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s2j s GLY 46 N -2.56 1.59 0.63 3.38 0.00 -1.26 -3.52 107.32 105.57 1s2j s GLY 46 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.75 1s2j s GLY 46 CO 0.05 0.59 0.89 -0.54 0.00 0.00 0.00 173.10 174.10 1s2j s GLU 47 N -4.64 2.38 -0.19 2.90 2.02 -1.26 -3.75 118.70 116.15 1s2j s GLU 47 Ca 0.67 -0.51 -0.14 0.00 0.02 0.00 0.00 54.97 55.01 1s2j s GLU 47 Cb -0.22 -2.33 0.06 0.00 0.10 0.00 0.00 34.13 31.73 1s2j s GLU 47 CO 0.61 -0.97 0.49 0.00 0.02 0.00 0.00 175.26 175.41 1s2j n SER 49 N 3.54 1.30 -3.52 0.00 3.41 -1.26 -1.02 113.62 116.07 1s2j n SER 49 Ca -0.18 -2.84 -0.10 0.00 -0.26 0.00 0.00 58.87 55.50 1s2j n SER 49 Cb 0.56 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 1s2j n SER 49 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1s2j s GLY 50 N -2.45 -0.48 0.11 5.00 0.00 -1.26 -4.52 107.32 103.71 1s2j s GLY 50 Ca 0.31 0.51 -0.33 0.00 0.00 0.00 0.00 44.72 45.21 1s2j s GLY 50 CO -0.09 0.16 1.57 -2.00 0.00 0.00 0.00 173.10 172.75 1s2j h LEU 51 N 2.00 -1.42 -0.95 0.66 7.12 -1.98 0.36 115.31 121.09 1s2j h LEU 51 Ca -0.28 0.15 0.11 0.00 0.13 0.00 0.00 57.88 57.99 1s2j h LEU 51 Cb 1.28 0.52 -0.08 0.00 -0.53 0.00 0.00 40.66 41.85 1s2j h LEU 51 CO 0.33 -0.54 0.59 -0.07 -0.13 0.00 0.00 178.44 178.62 1s2j h LEU 52 N -0.73 0.86 -0.06 2.25 -0.00 -1.99 0.19 115.31 115.84 1s2j h LEU 52 Ca 0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.89 1s2j h LEU 52 Cb 0.74 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1s2j h LEU 52 CO -0.25 0.47 -0.11 0.11 -0.00 0.00 0.00 178.44 178.66 1s2j h LYS 53 N 0.94 0.17 -0.35 1.13 1.79 -1.87 -2.87 116.57 115.52 1s2j h LYS 53 Ca 0.47 -0.11 -0.06 0.00 -2.18 0.00 0.00 60.65 58.77 1s2j h LYS 53 Cb 0.44 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1s2j h LYS 53 CO -0.26 0.69 -0.00 0.00 -1.08 0.00 0.00 179.45 178.80 1s2j h ALA 55 N 0.86 0.07 -0.38 0.00 0.00 -0.69 -0.02 119.26 119.09 1s2j h ALA 55 Ca 0.10 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1s2j h ALA 55 Cb 0.46 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1s2j h ALA 55 CO 0.02 -0.58 0.08 1.49 0.00 0.00 0.00 179.25 180.26 1s2j h GLU 56 N -0.14 0.21 -0.14 0.00 4.81 -1.40 0.26 114.58 118.19 1s2j h GLU 56 Ca 0.20 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1s2j h GLU 56 Cb 0.45 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1s2j h GLU 56 CO -0.51 0.14 0.08 0.82 -0.73 0.00 0.00 179.01 178.81 1s2j h ILE 57 N 0.21 1.06 -0.32 2.32 2.04 -1.24 -1.63 117.51 119.96 1s2j h ILE 57 Ca 0.18 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1s2j h ILE 57 Cb 0.20 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1s2j h ILE 57 CO -0.23 0.06 0.18 -0.07 0.00 0.00 0.00 178.15 178.09 1s2j h LEU 58 N 0.15 0.40 -0.22 1.44 3.38 -0.47 0.21 115.31 120.20 1s2j h LEU 58 Ca 0.05 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1s2j h LEU 58 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1s2j h LEU 58 CO -0.01 0.37 0.02 1.56 0.09 0.00 0.00 178.44 180.47 1s2j h GLN 59 N 0.41 0.09 -0.24 1.13 4.20 -0.44 0.11 115.11 120.37 1s2j h GLN 59 Ca 0.11 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1s2j h GLN 59 Cb 0.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1s2j h GLN 59 CO -0.02 0.06 -0.39 -0.91 -0.67 0.00 0.00 178.83 176.90 1s2j h ASN 60 N 0.10 0.59 0.13 1.46 2.35 -0.97 -1.03 115.58 118.21 1s2j h ASN 60 Ca 0.10 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1s2j h ASN 60 Cb 0.12 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1s2j h ASN 60 CO -0.15 0.92 -0.06 -0.03 -1.65 0.00 0.00 177.43 176.45 1s2j h MET 61 N 0.46 -0.17 -0.73 0.81 4.05 -0.41 -0.91 114.93 118.04 1s2j h MET 61 Ca 0.04 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.61 1s2j h MET 61 Cb 0.89 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.63 1s2j h MET 61 CO 0.08 0.13 0.27 0.37 0.23 0.00 0.00 176.91 177.99 1s2j h GLN 62 N -0.47 0.40 -0.66 0.39 4.15 -0.76 0.19 115.11 118.36 1s2j h GLN 62 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1s2j h GLN 62 Cb 0.38 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1s2j h GLN 62 CO 0.03 0.27 0.41 0.00 -1.93 0.00 0.00 178.83 177.61 1s2j h ALA 63 N 1.53 0.83 -0.39 3.38 0.00 -0.97 -0.02 119.26 123.63 1s2j h ALA 63 Ca 0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1s2j h ALA 63 Cb 0.59 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1s2j h ALA 63 CO -0.40 0.29 0.00 -0.92 0.00 0.00 0.00 179.25 178.22 1s2j h TYR 64 N 0.89 0.74 -0.57 0.00 3.20 -0.20 0.23 116.97 121.26 1s2j h TYR 64 Ca 0.24 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1s2j h TYR 64 Cb -0.06 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1s2j h TYR 64 CO -0.02 0.76 0.30 0.45 -1.64 0.00 0.00 178.16 178.01 1s2j h HIS 65 N 0.50 0.80 0.05 -3.82 3.86 -0.41 0.79 115.15 116.92 1s2j h HIS 65 Ca 0.11 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.11 1s2j h HIS 65 Cb 0.47 -0.25 0.02 0.00 1.06 0.00 0.00 27.41 28.70 1s2j h HIS 65 CO 0.04 0.60 -0.74 1.96 0.86 0.00 0.00 177.93 180.65 1s2j h GLN 66 N 0.77 0.41 0.04 2.45 4.20 -0.92 -0.37 115.11 121.70 1s2j h GLN 66 Ca 0.20 -0.51 -0.29 0.00 0.06 0.00 0.00 58.65 58.11 1s2j h GLN 66 Cb 0.08 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1s2j h GLN 66 CO -0.03 1.18 -1.63 -0.91 -0.67 0.00 0.00 178.83 176.77 1s2j h ASN 67 N -0.12 0.14 0.00 1.46 2.35 -0.99 -3.30 115.58 115.11 1s2j h ASN 67 Ca -0.11 -0.25 -0.42 0.00 -0.55 0.00 0.00 56.30 54.98 1s2j h ASN 67 Cb 1.47 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 39.74 1s2j h ASN 67 CO 0.14 1.22 -2.28 1.21 -1.65 0.00 0.00 177.43 176.08 1s2j n GLU 68 N -3.23 0.59 0.00 0.81 4.07 0.18 -4.53 120.64 118.53 1s2j n GLU 68 Ca -0.17 0.32 0.14 0.00 -0.06 0.00 0.00 57.16 57.40 1s2j n GLU 68 Cb 1.04 -1.55 0.62 0.00 -0.06 0.00 0.00 31.44 31.49 1s2j n GLU 68 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1s2j n LEU 69 N -4.24 0.48 -2.67 4.31 4.77 -0.65 -4.93 117.00 114.07 1s2j n LEU 69 Ca -0.50 -0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.29 1s2j n LEU 69 Cb 0.85 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1s2j n LEU 69 CO 0.08 0.09 -0.14 0.47 -1.33 0.00 0.00 177.39 176.55 1s2j n ASP 70 N -0.92 -4.99 -4.84 -1.43 8.00 -1.02 -4.99 116.55 106.36 1s2j n ASP 70 Ca 0.15 -0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.28 1s2j n ASP 70 Cb 0.27 -4.14 0.01 0.00 -0.02 0.00 0.00 41.12 37.24 1s2j n ASP 70 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1s2j s PHE 71 N -2.91 3.33 0.26 1.24 2.99 -0.18 -4.98 117.98 117.74 1s2j s PHE 71 Ca 0.12 1.41 0.06 0.00 0.00 0.00 0.00 56.93 58.51 1s2j s PHE 71 Cb -0.06 -2.83 0.33 0.00 0.00 0.00 0.00 43.02 40.46 1s2j s PHE 71 CO 0.14 -0.83 1.62 -0.91 -0.00 0.00 0.00 175.22 175.24 1s2j h ASN 72 N 0.04 0.24 -5.27 1.36 -0.26 -1.88 -3.37 115.58 106.43 1s2j h ASN 72 Ca -0.45 -0.12 -0.07 0.00 -0.56 0.00 0.00 56.30 55.09 1s2j h ASN 72 Cb 1.20 -0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 38.30 1s2j h ASN 72 CO 0.60 0.73 -0.16 -0.62 -1.06 0.00 0.00 177.43 176.92 1s2j s ASP 73 N -6.89 -0.06 0.05 5.81 3.68 -1.26 -0.70 116.67 117.30 1s2j s ASP 73 Ca -0.04 -0.98 -0.38 0.00 2.13 0.00 0.00 52.55 53.29 1s2j s ASP 73 Cb 0.13 0.57 -0.19 0.00 -1.45 0.00 0.00 42.92 41.98 1s2j s ASP 73 CO 0.79 -1.12 1.12 0.00 0.13 0.00 0.00 175.17 176.09 1s2j n ILE 74 N -0.38 0.17 -0.09 4.11 3.06 -1.26 -4.68 119.36 120.29 1s2j n ILE 74 Ca -0.01 -0.04 -0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1s2j n ILE 74 Cb 0.62 -0.28 0.28 0.00 0.54 0.00 0.00 39.64 40.79 1s2j n ILE 74 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1s2j h SER 75 N 3.35 0.66 -3.68 9.51 4.64 -1.94 -3.35 113.55 122.74 1s2j h SER 75 Ca -0.48 -0.07 -0.50 0.00 -0.47 0.00 0.00 61.79 60.26 1s2j h SER 75 Cb 1.40 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 1s2j h SER 75 CO 0.68 0.59 0.17 -0.31 -0.87 0.00 0.00 176.83 177.10 1s2j s TYR 76 N -5.35 3.61 0.16 4.77 1.51 -1.26 -0.61 117.35 120.18 1s2j s TYR 76 Ca -0.09 1.47 -0.10 0.00 -1.01 0.00 0.00 57.07 57.33 1s2j s TYR 76 Cb 0.16 -2.69 0.03 0.00 -0.11 0.00 0.00 41.96 39.35 1s2j s TYR 76 CO 0.77 0.26 1.59 -0.91 -1.11 0.00 0.00 175.55 176.15 1s2j h ASN 77 N 3.16 1.00 -4.85 2.29 2.35 -1.17 0.21 115.58 118.58 1s2j h ASN 77 Ca -0.48 -0.35 -0.16 0.00 -0.55 0.00 0.00 56.30 54.77 1s2j h ASN 77 Cb 1.19 -0.27 -0.21 0.00 0.05 0.00 0.00 38.32 39.07 1s2j h ASN 77 CO 0.65 1.11 -0.54 -0.36 -1.65 0.00 0.00 177.43 176.64 1s2j s PHE 78 N -4.86 0.07 0.01 1.19 0.40 -0.82 -1.17 117.98 112.80 1s2j s PHE 78 Ca -0.12 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1s2j s PHE 78 Cb 0.13 -0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.57 1s2j s PHE 78 CO 0.86 -0.24 -0.14 -0.51 0.70 0.00 0.00 175.22 175.89 1s2j s LEU 79 N -1.24 2.10 -0.17 -0.37 1.02 -0.41 -0.66 118.68 118.95 1s2j s LEU 79 Ca -0.13 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 53.68 1s2j s LEU 79 Cb -0.07 -0.65 0.02 0.00 0.02 0.00 0.00 46.19 45.51 1s2j s LEU 79 CO 0.01 0.10 -0.17 -0.63 0.02 0.00 0.00 176.35 175.68 1s2j s ILE 80 N -0.57 1.87 0.79 -0.59 1.01 0.98 -0.16 121.20 124.53 1s2j s ILE 80 Ca 0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1s2j s ILE 80 Cb -0.06 -1.72 0.09 0.00 0.01 0.00 0.00 42.46 40.78 1s2j s ILE 80 CO 0.00 0.48 1.14 -0.83 0.00 0.00 0.00 174.94 175.74 1s2j s GLY 81 N 1.36 1.65 0.48 6.18 0.00 -0.96 -0.92 107.32 115.13 1s2j s GLY 81 Ca 0.04 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.12 1s2j s GLY 81 CO -0.12 -0.34 2.03 3.43 0.00 0.00 0.00 173.10 178.10 1s2j h ASN 82 N -0.98 0.00 0.40 1.64 4.21 -1.36 -1.70 115.58 117.79 1s2j h ASN 82 Ca -0.45 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.06 1s2j h ASN 82 Cb 1.31 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.51 1s2j h ASN 82 CO 0.60 0.16 0.00 -0.90 -1.29 0.00 0.00 177.43 175.99 1s2j n ASP 83 N -3.98 0.00 0.00 5.81 3.85 -1.26 -4.25 116.55 116.72 1s2j n ASP 83 Ca -0.02 0.35 0.00 0.00 -0.71 0.00 0.00 54.79 54.41 1s2j n ASP 83 Cb 0.24 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 1s2j n ASP 83 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s2j n GLY 84 N -0.08 0.47 3.73 6.12 0.00 -0.64 -4.79 105.19 110.00 1s2j n GLY 84 Ca 0.04 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1s2j n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s2j s ILE 85 N -2.00 4.77 -0.26 -0.61 -1.09 -1.26 -4.73 121.20 116.01 1s2j s ILE 85 Ca 0.00 1.77 -0.22 0.00 -2.23 0.00 0.00 60.65 59.97 1s2j s ILE 85 Cb 0.00 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1s2j s ILE 85 CO 0.00 0.30 0.71 -0.69 -1.23 0.00 0.00 174.94 174.03 1s2j s VAL 86 N 0.30 4.91 -0.20 2.92 1.01 -1.26 -2.25 120.40 125.83 1s2j s VAL 86 Ca 0.43 1.24 -0.10 0.00 0.00 0.00 0.00 61.98 63.55 1s2j s VAL 86 Cb -0.21 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1s2j s VAL 86 CO 0.24 -0.06 0.13 -0.31 0.00 0.00 0.00 175.10 175.11 1s2j s TYR 87 N 2.68 3.41 0.06 5.22 1.51 0.77 -0.60 117.35 130.40 1s2j s TYR 87 Ca 0.30 0.33 -0.31 0.00 -1.01 0.00 0.00 57.07 56.38 1s2j s TYR 87 Cb -0.15 -2.15 -0.07 0.00 -0.11 0.00 0.00 41.96 39.48 1s2j s TYR 87 CO 0.09 0.30 1.42 -2.00 -1.11 0.00 0.00 175.55 174.25 1s2j s GLU 88 N 0.32 4.29 0.00 -0.62 2.12 -0.35 -1.28 118.70 123.18 1s2j s GLU 88 Ca 0.08 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.47 1s2j s GLU 88 Cb -0.11 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.87 1s2j s GLU 88 CO -0.02 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 1s2j n GLY 89 N 3.60 0.40 0.31 -1.50 0.00 -0.32 -4.29 105.19 103.39 1s2j n GLY 89 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1s2j n GLY 89 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1s2j h THR 90 N 0.00 1.25 0.00 2.61 2.02 -0.48 -3.46 112.91 114.85 1s2j h THR 90 Ca 0.00 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1s2j h THR 90 Cb 0.00 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1s2j h THR 90 CO 0.00 0.34 0.00 0.61 0.37 0.00 0.00 175.52 176.84 1s2j n GLY 91 N -0.76 0.84 3.72 2.16 0.00 -0.55 -4.74 105.19 105.86 1s2j n GLY 91 Ca 0.04 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1s2j n GLY 91 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s2j n TRP 92 N 1.29 2.57 -0.71 1.61 5.03 -1.26 -3.31 117.44 122.66 1s2j n TRP 92 Ca 0.00 0.34 0.00 0.00 3.03 0.00 0.00 57.50 60.87 1s2j n TRP 92 Cb 0.00 -2.53 0.00 0.00 -1.03 0.00 0.00 31.31 27.75 1s2j n TRP 92 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1s2j n GLY 93 N 2.03 0.83 3.15 6.99 0.00 -1.26 -5.01 105.19 111.91 1s2j n GLY 93 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1s2j n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s2j s LEU 94 N 0.00 1.95 0.01 0.99 1.43 -1.21 -0.67 118.68 121.18 1s2j s LEU 94 Ca 0.00 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1s2j s LEU 94 Cb 0.00 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 1s2j s LEU 94 CO 0.00 0.17 1.45 -0.60 0.23 0.00 0.00 176.35 177.60 1s2j s ARG 95 N -0.09 4.26 0.00 1.70 3.52 -0.33 -4.71 118.95 123.29 1s2j s ARG 95 Ca -0.01 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.62 1s2j s ARG 95 Cb -0.10 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 1s2j s ARG 95 CO 0.01 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.30 1s2j n GLY 96 N 3.72 1.33 1.95 8.12 0.00 -1.25 -4.81 105.19 114.25 1s2j n GLY 96 Ca 0.14 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 1s2j n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s2j n ALA 97 N -3.00 2.78 0.03 4.61 0.00 0.22 -4.80 120.51 120.35 1s2j n ALA 97 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.50 1s2j n ALA 97 Cb 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 1s2j n ALA 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1s2j n HIS 98 N -0.21 0.94 -3.31 0.00 1.44 -1.19 -4.82 115.22 108.06 1s2j n HIS 98 Ca -0.04 0.31 -0.09 0.00 -2.01 0.00 0.00 57.72 55.89 1s2j n HIS 98 Cb 0.92 -1.07 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 1s2j n HIS 98 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1s2j s THR 99 N -2.94 -0.62 0.21 0.61 2.01 -1.26 -5.06 115.64 108.58 1s2j s THR 99 Ca -0.03 -0.29 -0.32 0.00 0.31 0.00 0.00 61.69 61.36 1s2j s THR 99 Cb 0.09 -0.98 -0.15 0.00 0.01 0.00 0.00 72.50 71.47 1s2j s THR 99 CO 0.81 -0.29 1.18 0.00 -0.69 0.00 0.00 174.62 175.64 1s2j n TYR 100 N 5.35 1.45 0.00 4.92 9.36 -1.26 -0.43 117.16 136.55 1s2j n TYR 100 Ca 0.00 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.86 1s2j n TYR 100 Cb 0.49 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 1s2j n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1s2j n GLY 101 N 1.90 2.75 0.12 2.98 0.00 -1.26 -4.76 105.19 106.92 1s2j n GLY 101 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1s2j n GLY 101 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s2j n TYR 102 N -2.00 0.00 -0.04 1.61 4.02 0.43 -4.69 117.16 116.48 1s2j n TYR 102 Ca 0.00 -0.45 -0.12 0.00 -0.01 0.00 0.00 57.90 57.32 1s2j n TYR 102 Cb 0.00 -0.07 -0.11 0.00 -0.02 0.00 0.00 39.34 39.14 1s2j n TYR 102 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1s2j h ASN 103 N 0.00 -0.02 -0.09 7.72 2.35 -1.75 -1.58 115.58 122.21 1s2j h ASN 103 Ca 0.00 -0.74 -0.11 0.00 -0.55 0.00 0.00 56.30 54.90 1s2j h ASN 103 Cb 0.93 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1s2j h ASN 103 CO 0.00 0.78 -0.28 0.00 -1.65 0.00 0.00 177.43 176.28 1s2j h ALA 104 N -0.01 1.01 -0.02 -0.83 0.00 -1.87 -3.30 119.26 114.24 1s2j h ALA 104 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1s2j h ALA 104 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s2j h ALA 104 CO 0.00 0.59 -0.03 0.44 0.00 0.00 0.00 179.25 180.25 1s2j n ILE 105 N -4.10 0.00 -4.27 0.00 -5.35 -1.26 -4.57 119.36 99.81 1s2j n ILE 105 Ca -0.01 -0.48 -0.15 0.00 -0.27 0.00 0.00 62.75 61.84 1s2j n ILE 105 Cb 0.43 1.32 -0.10 0.00 -1.74 0.00 0.00 39.64 39.55 1s2j n ILE 105 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s2j s GLY 106 N -1.38 1.24 -0.26 3.28 0.00 -0.59 -3.57 107.32 106.04 1s2j s GLY 106 Ca 0.18 -1.59 -0.07 0.00 0.00 0.00 0.00 44.72 43.23 1s2j s GLY 106 CO 0.22 -1.59 0.07 -1.59 0.00 0.00 0.00 173.10 170.21 1s2j s THR 107 N -3.45 4.26 -0.16 0.90 2.01 -0.71 -4.67 115.64 113.81 1s2j s THR 107 Ca 0.22 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 1s2j s THR 107 Cb 0.05 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1s2j s THR 107 CO 0.04 0.28 0.27 -0.83 -0.69 0.00 0.00 174.62 173.69 1s2j s GLY 108 N 1.60 2.19 -0.15 4.40 0.00 -1.26 -1.10 107.32 113.00 1s2j s GLY 108 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1s2j s GLY 108 CO 0.03 0.36 -0.14 -0.42 0.00 0.00 0.00 173.10 172.94 1s2j s ILE 109 N 0.37 1.57 -0.14 0.90 1.01 -0.03 -0.66 121.20 124.22 1s2j s ILE 109 Ca 0.16 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1s2j s ILE 109 Cb -0.13 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1s2j s ILE 109 CO 0.03 0.46 0.04 0.00 0.00 0.00 0.00 174.94 175.47 1s2j s ALA 110 N 1.48 3.39 -0.10 9.38 0.00 0.17 -0.79 121.76 135.27 1s2j s ALA 110 Ca 0.05 -0.76 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 1s2j s ALA 110 Cb -0.13 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1s2j s ALA 110 CO -0.10 0.36 0.76 -0.06 0.00 0.00 0.00 175.76 176.72 1s2j s PHE 111 N -0.18 3.52 -0.41 0.00 0.40 -0.42 -0.01 117.98 120.88 1s2j s PHE 111 Ca 0.07 1.26 -0.29 0.00 -0.60 0.00 0.00 56.93 57.37 1s2j s PHE 111 Cb -0.12 -2.90 0.01 0.00 0.51 0.00 0.00 43.02 40.52 1s2j s PHE 111 CO 0.02 -0.05 1.45 0.42 0.70 0.00 0.00 175.22 177.75 1s2j s ILE 112 N 1.34 3.86 -5.00 0.64 1.01 -0.09 -2.07 121.20 120.89 1s2j s ILE 112 Ca 0.38 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1s2j s ILE 112 Cb -0.17 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1s2j s ILE 112 CO 0.17 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 174.98 1s2j n GLY 113 N 5.11 0.31 2.82 6.18 0.00 -1.25 -4.55 105.19 113.82 1s2j n GLY 113 Ca 0.17 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 1s2j n GLY 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1s2j s ASN 114 N -4.00 1.99 -0.23 1.61 3.04 -1.23 -1.36 114.94 114.76 1s2j s ASN 114 Ca 0.00 -0.26 0.13 0.00 0.04 0.00 0.00 52.86 52.76 1s2j s ASN 114 Cb 0.00 -0.61 0.45 0.00 -1.54 0.00 0.00 41.25 39.55 1s2j s ASN 114 CO 0.00 -0.18 1.19 0.49 -3.04 0.00 0.00 177.10 175.56 1s2j n PHE 115 N 5.06 1.36 -0.11 0.43 3.01 -1.26 -4.70 117.46 121.25 1s2j n PHE 115 Ca -0.09 -1.80 -0.09 0.00 1.01 0.00 0.00 57.45 56.48 1s2j n PHE 115 Cb 0.50 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.67 1s2j n PHE 115 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1s2j h VAL 116 N 2.79 1.16 -0.18 -4.37 2.07 -1.84 -3.08 116.25 112.81 1s2j h VAL 116 Ca 0.12 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1s2j h VAL 116 Cb 1.37 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1s2j h VAL 116 CO 0.36 0.17 0.00 0.47 0.02 0.00 0.00 177.57 178.60 1s2j n ASP 117 N -4.74 2.77 -3.64 0.57 10.43 -1.26 -1.83 116.55 118.85 1s2j n ASP 117 Ca -0.01 -2.38 -0.06 0.00 2.57 0.00 0.00 54.79 54.91 1s2j n ASP 117 Cb 0.11 -0.26 -0.02 0.00 1.84 0.00 0.00 41.12 42.79 1s2j n ASP 117 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1s2j s LYS 118 N -1.66 1.08 0.12 -1.24 2.20 -1.26 -4.99 119.74 113.99 1s2j s LYS 118 Ca 0.22 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1s2j s LYS 118 Cb 0.16 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.85 1s2j s LYS 118 CO 0.08 -0.49 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.07 1s2j s LEU 119 N -2.75 3.39 0.93 5.43 1.02 -1.26 -4.22 118.68 121.22 1s2j s LEU 119 Ca 0.09 -0.25 -0.10 0.00 0.02 0.00 0.00 54.13 53.88 1s2j s LEU 119 Cb -0.01 -2.11 0.14 0.00 0.02 0.00 0.00 46.19 44.23 1s2j s LEU 119 CO -0.03 0.15 1.05 -2.65 0.02 0.00 0.00 176.35 174.89 1s2j n PRO 120 N 0.37 -0.47 -0.64 1.29 -0.02 -1.26 -4.99 135.00 129.28 1s2j n PRO 120 Ca -0.11 -0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 60.99 1s2j n PRO 120 Cb 0.53 -2.31 0.18 0.00 -0.02 0.00 0.00 33.50 31.89 1s2j n PRO 120 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1s2j n SER 121 N -3.88 -1.64 -0.18 2.55 3.41 -1.26 -4.74 113.62 107.87 1s2j n SER 121 Ca 0.11 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1s2j n SER 121 Cb 0.52 -1.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.29 1s2j n SER 121 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1s2j h ASP 122 N -2.10 0.88 -0.43 4.04 5.19 -1.94 -1.87 116.42 120.19 1s2j h ASP 122 Ca -0.52 -0.29 0.03 0.00 -0.62 0.00 0.00 57.03 55.63 1s2j h ASP 122 Cb 1.32 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 1s2j h ASP 122 CO 0.41 0.96 0.24 0.00 -3.12 0.00 0.00 179.24 177.73 1s2j h ALA 123 N 0.96 0.55 -0.51 3.45 0.00 -1.92 -0.91 119.26 120.88 1s2j h ALA 123 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1s2j h ALA 123 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1s2j h ALA 123 CO 0.02 -0.10 0.31 0.00 0.00 0.00 0.00 179.25 179.49 1s2j h ALA 124 N 1.21 0.65 -0.42 0.00 0.00 -1.71 0.10 119.26 119.09 1s2j h ALA 124 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1s2j h ALA 124 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1s2j h ALA 124 CO -0.10 0.03 -0.05 -0.07 0.00 0.00 0.00 179.25 179.05 1s2j h LEU 125 N 0.62 0.77 -0.28 0.00 3.38 -1.13 -2.25 115.31 116.42 1s2j h LEU 125 Ca 0.20 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1s2j h LEU 125 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1s2j h LEU 125 CO -0.08 0.93 0.08 -0.61 0.09 0.00 0.00 178.44 178.85 1s2j h GLN 126 N 0.60 0.44 -0.89 1.13 5.75 -1.02 -2.69 115.11 118.43 1s2j h GLN 126 Ca 0.11 -0.10 0.15 0.00 -0.15 0.00 0.00 58.65 58.66 1s2j h GLN 126 Cb 0.56 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.98 1s2j h GLN 126 CO 0.03 0.51 0.58 0.00 -2.65 0.00 0.00 178.83 177.30 1s2j h ALA 127 N 0.91 1.88 -0.24 3.38 0.00 -0.73 0.11 119.26 124.56 1s2j h ALA 127 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1s2j h ALA 127 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s2j h ALA 127 CO -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.11 1s2j h ALA 128 N 1.60 0.33 -0.83 0.00 0.00 -1.20 -1.05 119.26 118.11 1s2j h ALA 128 Ca 0.45 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1s2j h ALA 128 Cb 0.79 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1s2j h ALA 128 CO -0.21 0.07 0.37 0.87 0.00 0.00 0.00 179.25 180.35 1s2j h LYS 129 N 0.20 1.22 -0.35 0.00 1.57 -1.03 -1.47 116.57 116.71 1s2j h LYS 129 Ca 0.07 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 1s2j h LYS 129 Cb 0.43 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1s2j h LYS 129 CO 0.01 0.96 0.07 -0.44 -0.57 0.00 0.00 179.45 179.48 1s2j h ASP 130 N 1.20 0.55 -0.85 0.86 3.32 -0.70 -1.25 116.42 119.55 1s2j h ASP 130 Ca 0.28 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1s2j h ASP 130 Cb 0.16 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1s2j h ASP 130 CO -0.03 0.66 0.42 0.25 -1.72 0.00 0.00 179.24 178.82 1s2j h LEU 131 N 0.42 1.11 -0.51 1.55 5.85 -0.94 0.14 115.31 122.93 1s2j h LEU 131 Ca 0.11 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 1s2j h LEU 131 Cb 0.34 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1s2j h LEU 131 CO 0.00 0.93 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.69 1s2j h LEU 132 N 1.21 0.95 -0.00 2.25 3.38 -1.17 -0.08 115.31 121.86 1s2j h LEU 132 Ca 0.29 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1s2j h LEU 132 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1s2j h LEU 132 CO -0.04 1.16 0.00 0.00 0.09 0.00 0.00 178.44 179.65 1s2j h ALA 133 N 0.90 0.00 -0.53 1.53 0.00 -0.84 -2.21 119.26 118.11 1s2j h ALA 133 Ca 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1s2j h ALA 133 Cb 0.85 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1s2j h ALA 133 CO 0.07 -0.45 0.08 0.00 0.00 0.00 0.00 179.25 178.96 1s2j h GLY 135 N 0.76 0.63 0.87 0.00 0.00 -0.90 0.25 103.07 104.68 1s2j h GLY 135 Ca 0.16 0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1s2j h GLY 135 CO 0.01 -0.25 -0.04 -0.39 0.00 0.00 0.00 176.54 175.87 1s2j h VAL 136 N 0.06 1.27 -0.42 4.60 -1.51 -1.20 0.15 116.25 119.20 1s2j h VAL 136 Ca 0.34 -1.03 0.07 0.00 -1.23 0.00 0.00 66.70 64.86 1s2j h VAL 136 Cb 0.56 1.39 -0.06 0.00 -2.13 0.00 0.00 31.29 31.05 1s2j h VAL 136 CO -0.63 0.33 0.07 -0.61 -1.23 0.00 0.00 177.57 175.49 1s2j h GLN 137 N 0.28 0.19 0.00 5.19 4.15 -0.50 -0.44 115.11 123.97 1s2j h GLN 137 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1s2j h GLN 137 Cb 0.50 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1s2j h GLN 137 CO 0.02 0.12 0.00 1.04 -1.93 0.00 0.00 178.83 178.09 1s2j n GLN 138 N -5.12 0.97 -1.15 1.69 6.02 0.78 -4.90 117.38 115.67 1s2j n GLN 138 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.97 1s2j n GLN 138 Cb 0.20 -1.30 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 1s2j n GLN 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s2j n GLY 139 N 0.75 0.75 0.22 1.08 0.00 -0.17 -4.92 105.19 102.89 1s2j n GLY 139 Ca 0.14 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 1s2j n GLY 139 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s2j h GLU 140 N 0.20 0.69 -6.62 1.61 4.39 -0.93 -3.34 114.58 110.58 1s2j h GLU 140 Ca -0.10 -0.52 -0.69 0.00 0.34 0.00 0.00 59.36 58.38 1s2j h GLU 140 Cb 0.44 0.10 -0.25 0.00 -0.10 0.00 0.00 28.75 28.93 1s2j h GLU 140 CO 0.15 1.14 -0.85 -0.51 -1.16 0.00 0.00 179.01 177.79 1s2j s LEU 141 N -8.34 2.35 0.62 1.33 1.43 -0.91 -0.35 118.68 114.80 1s2j s LEU 141 Ca -0.09 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 1s2j s LEU 141 Cb 0.10 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1s2j s LEU 141 CO 0.88 0.28 1.13 -0.94 0.23 0.00 0.00 176.35 177.92 1s2j s SER 142 N -1.15 5.30 0.38 2.29 1.04 -0.44 -4.25 113.70 116.87 1s2j s SER 142 Ca 0.12 2.10 0.07 0.00 0.48 0.00 0.00 55.95 58.72 1s2j s SER 142 Cb -0.10 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.24 1s2j s SER 142 CO 0.02 -1.50 1.99 -0.33 0.98 0.00 0.00 173.24 174.40 1s2j h GLU 143 N 0.50 0.66 -0.96 4.02 5.08 -1.92 -1.80 114.58 120.17 1s2j h GLU 143 Ca -0.48 -0.04 -0.65 0.00 -1.00 0.00 0.00 59.36 57.19 1s2j h GLU 143 Cb 1.26 -0.15 -0.32 0.00 0.50 0.00 0.00 28.75 30.04 1s2j h GLU 143 CO 0.55 0.44 0.49 -0.40 -1.00 0.00 0.00 179.01 179.09 1s2j n ASP 144 N -4.47 7.08 -4.69 1.42 3.85 -1.26 -5.04 116.55 113.44 1s2j n ASP 144 Ca 0.08 -3.78 -0.39 0.00 -0.71 0.00 0.00 54.79 49.99 1s2j n ASP 144 Cb 0.18 -0.84 0.04 0.00 -1.35 0.00 0.00 41.12 39.15 1s2j n ASP 144 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1s2j n TYR 145 N -0.87 1.82 -3.42 2.11 0.18 -0.68 -4.98 117.16 111.33 1s2j n TYR 145 Ca 0.59 0.46 -0.38 0.00 1.88 0.00 0.00 57.90 60.45 1s2j n TYR 145 Cb 0.72 -2.30 -0.06 0.00 -0.38 0.00 0.00 39.34 37.32 1s2j n TYR 145 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1s2j s ALA 146 N -1.32 3.56 -0.19 -3.48 0.00 0.83 -4.82 121.76 116.34 1s2j s ALA 146 Ca 0.69 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 1s2j s ALA 146 Cb -0.45 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1s2j s ALA 146 CO 0.51 0.15 -0.00 -1.17 0.00 0.00 0.00 175.76 175.26 1s2j s LEU 147 N 0.12 3.31 0.11 0.00 2.96 -0.62 -0.12 118.68 124.45 1s2j s LEU 147 Ca 0.23 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1s2j s LEU 147 Cb -0.15 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1s2j s LEU 147 CO 0.10 0.10 -0.09 0.27 -1.32 0.00 0.00 176.35 175.40 1s2j s ILE 148 N 0.78 0.96 0.24 6.68 -4.36 -0.19 -1.22 121.20 124.10 1s2j s ILE 148 Ca 0.00 -1.85 -0.18 0.00 -0.26 0.00 0.00 60.65 58.36 1s2j s ILE 148 Cb -0.14 -1.60 -0.08 0.00 1.25 0.00 0.00 42.46 41.89 1s2j s ILE 148 CO 0.02 -0.70 0.70 0.00 0.24 0.00 0.00 174.94 175.21 1s2j s ALA 149 N -3.02 3.41 0.28 2.27 0.00 -1.26 -0.89 121.76 122.55 1s2j s ALA 149 Ca 0.11 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1s2j s ALA 149 Cb 0.01 -2.76 0.64 0.00 0.00 0.00 0.00 23.12 21.01 1s2j s ALA 149 CO -0.01 0.35 1.75 0.78 0.00 0.00 0.00 175.76 178.63 1s2j h GLY 150 N 3.12 1.54 1.41 0.00 0.00 -1.43 -1.38 103.07 106.32 1s2j h GLY 150 Ca -0.48 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 46.65 1s2j h GLY 150 CO 0.65 -0.11 0.24 1.48 0.00 0.00 0.00 176.54 178.81 1s2j h SER 151 N 0.60 0.00 1.12 0.19 4.64 -1.04 -1.91 113.55 117.16 1s2j h SER 151 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1s2j h SER 151 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1s2j h SER 151 CO -0.41 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.11 1s2j h GLN 152 N 0.00 0.00 0.00 4.77 4.20 -1.55 -3.36 115.11 119.17 1s2j h GLN 152 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1s2j h GLN 152 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1s2j h GLN 152 CO -0.00 0.00 -0.17 1.33 -0.67 0.00 0.00 178.83 179.31 1s2j n VAL 153 N -2.69 0.00 -4.28 -0.54 0.24 -0.77 -4.91 118.33 105.38 1s2j n VAL 153 Ca 0.02 -0.11 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 1s2j n VAL 153 Cb 0.33 0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 1s2j n VAL 153 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1s2j s ILE 154 N -0.56 0.47 -0.48 1.34 -4.36 -0.88 -5.00 121.20 111.73 1s2j s ILE 154 Ca 0.00 -1.99 -0.25 0.00 -0.26 0.00 0.00 60.65 58.15 1s2j s ILE 154 Cb 0.00 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 41.23 1s2j s ILE 154 CO 0.00 -0.09 0.92 -0.55 0.24 0.00 0.00 174.94 175.46 1s2j s SER 155 N -3.26 6.46 -0.11 4.36 0.15 -1.26 -4.38 113.70 115.66 1s2j s SER 155 Ca 0.35 0.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.72 1s2j s SER 155 Cb 0.07 -2.44 0.12 0.00 -1.71 0.00 0.00 66.02 62.06 1s2j s SER 155 CO 0.11 -1.07 1.03 0.28 1.20 0.00 0.00 173.24 174.79 1s2j s THR 156 N 3.77 0.00 -0.46 6.45 -1.32 -1.26 -5.04 115.64 117.78 1s2j s THR 156 Ca 0.35 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.07 1s2j s THR 156 Cb -0.11 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.93 1s2j s THR 156 CO 0.25 0.00 1.22 1.56 -2.21 0.00 0.00 174.62 175.44 1s2j h GLN 157 N 2.14 0.00 -6.59 7.08 1.08 -1.95 -3.39 115.11 113.48 1s2j h GLN 157 Ca -0.17 0.00 -0.59 0.00 -1.45 0.00 0.00 58.65 56.45 1s2j h GLN 157 Cb 1.20 0.00 0.09 0.00 -0.05 0.00 0.00 27.48 28.71 1s2j h GLN 157 CO 0.28 0.00 0.56 0.45 -0.95 0.00 0.00 178.83 179.17 1s2j n SER 158 N -2.41 2.62 -1.58 1.46 2.88 -1.26 0.01 113.62 115.34 1s2j n SER 158 Ca 0.02 1.15 -0.05 0.00 -1.33 0.00 0.00 58.87 58.66 1s2j n SER 158 Cb 0.49 -1.42 0.19 0.00 -0.75 0.00 0.00 64.21 62.72 1s2j n SER 158 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1s2j n PRO 159 N 1.78 2.67 0.00 -1.46 -0.04 -1.25 -0.57 135.00 136.12 1s2j n PRO 159 Ca 0.11 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1s2j n PRO 159 Cb 0.32 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1s2j n PRO 159 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s2j n GLY 160 N -0.06 1.06 0.31 0.55 0.00 0.10 -4.32 105.19 102.83 1s2j n GLY 160 Ca 0.28 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 1s2j n GLY 160 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s2j h LEU 161 N 0.00 -0.96 -0.47 0.99 5.85 -1.68 0.19 115.31 119.23 1s2j h LEU 161 Ca 0.00 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1s2j h LEU 161 Cb 0.00 0.44 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1s2j h LEU 161 CO 0.00 -0.31 0.23 0.74 -0.34 0.00 0.00 178.44 178.76 1s2j h THR 162 N -0.28 0.95 -0.25 1.05 2.02 -1.36 -1.03 112.91 114.02 1s2j h THR 162 Ca 0.15 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1s2j h THR 162 Cb 0.51 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1s2j h THR 162 CO -0.45 0.08 -0.10 0.25 0.37 0.00 0.00 175.52 175.67 1s2j h LEU 163 N 0.45 0.52 -0.99 2.58 6.46 -1.37 -1.98 115.31 120.98 1s2j h LEU 163 Ca 0.21 -0.40 0.16 0.00 -0.12 0.00 0.00 57.88 57.73 1s2j h LEU 163 Cb 0.12 -0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 39.81 1s2j h LEU 163 CO -0.15 0.80 0.60 0.22 -0.62 0.00 0.00 178.44 179.29 1s2j h TYR 164 N 0.23 1.07 -0.40 1.25 -0.00 -0.42 -0.08 116.97 118.62 1s2j h TYR 164 Ca 0.06 0.03 -0.15 0.00 -0.00 0.00 0.00 58.73 58.67 1s2j h TYR 164 Cb 0.60 -0.33 -0.01 0.00 -0.00 0.00 0.00 36.73 36.99 1s2j h TYR 164 CO 0.06 0.32 -0.33 -0.91 -0.00 0.00 0.00 178.16 177.30 1s2j h ASN 165 N 0.84 0.97 -0.16 -2.11 2.35 -0.98 -2.46 115.58 114.03 1s2j h ASN 165 Ca 0.54 -0.41 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1s2j h ASN 165 Cb 0.71 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1s2j h ASN 165 CO -0.33 1.20 0.08 -0.08 -1.65 0.00 0.00 177.43 176.65 1s2j h GLU 166 N 0.76 0.23 0.00 0.81 4.57 -0.49 -3.17 114.58 117.29 1s2j h GLU 166 Ca 0.08 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1s2j h GLU 166 Cb 0.91 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1s2j h GLU 166 CO 0.08 0.25 -0.07 -0.84 -1.18 0.00 0.00 179.01 177.26 1s2j h ILE 167 N 0.14 0.17 -0.02 2.32 3.07 -1.02 -1.71 117.51 120.46 1s2j h ILE 167 Ca 0.06 -0.72 0.01 0.00 1.55 0.00 0.00 64.86 65.75 1s2j h ILE 167 Cb 0.10 1.62 -0.00 0.00 -0.27 0.00 0.00 36.82 38.26 1s2j h ILE 167 CO -0.01 0.07 0.02 1.56 -1.05 0.00 0.00 178.15 178.74 1s2j h GLN 168 N 0.00 0.00 -0.03 0.16 4.20 -1.41 -1.10 115.11 116.93 1s2j h GLN 168 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s2j h GLN 168 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1s2j h GLN 168 CO 0.01 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.56 1s2j n GLU 169 N -3.85 1.31 -3.32 1.46 -0.58 -0.64 -4.85 120.64 110.16 1s2j n GLU 169 Ca -0.03 -0.46 -0.34 0.00 -0.42 0.00 0.00 57.16 55.92 1s2j n GLU 169 Cb 0.11 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.47 1s2j n GLU 169 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1s2j s TRP 170 N -1.97 3.52 0.26 -0.32 0.52 -0.42 -4.99 118.94 115.55 1s2j s TRP 170 Ca 0.40 1.06 -0.06 0.00 0.02 0.00 0.00 56.10 57.52 1s2j s TRP 170 Cb 0.20 -2.38 0.48 0.00 -1.15 0.00 0.00 33.47 30.61 1s2j s TRP 170 CO 0.32 0.33 1.44 -2.30 0.02 0.00 0.00 176.95 176.76 1s2j n PRO 171 N 0.36 -0.08 -0.44 4.98 -0.02 -1.26 -2.36 135.00 136.17 1s2j n PRO 171 Ca -0.02 1.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.99 1s2j n PRO 171 Cb 0.52 -2.16 0.32 0.00 -0.02 0.00 0.00 33.50 32.16 1s2j n PRO 171 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1s2j n HIS 172 N -5.48 1.12 -1.68 6.00 8.25 -1.26 -4.99 115.22 117.18 1s2j n HIS 172 Ca 0.16 -0.50 -0.45 0.00 -0.26 0.00 0.00 57.72 56.66 1s2j n HIS 172 Cb 0.51 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.49 1s2j n HIS 172 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1s2j n TRP 173 N 1.37 2.35 -3.78 4.41 -0.00 -0.99 -1.59 117.44 119.21 1s2j n TRP 173 Ca 0.24 0.23 -0.37 0.00 -0.00 0.00 0.00 57.50 57.60 1s2j n TRP 173 Cb 0.69 -2.56 -0.13 0.00 -0.00 0.00 0.00 31.31 29.31 1s2j n TRP 173 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1s2j s LEU 174 N 0.93 3.81 0.16 5.87 2.96 -0.36 -4.84 118.68 127.21 1s2j s LEU 174 Ca 0.78 -0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1s2j s LEU 174 Cb -0.65 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.22 1s2j s LEU 174 CO 0.37 -0.19 1.52 0.77 -1.32 0.00 0.00 176.35 177.50 1s2j h SER 175 N 8.20 0.93 -3.21 3.68 4.64 -1.93 -3.39 113.55 122.47 1s2j h SER 175 Ca -0.31 -0.40 -0.60 0.00 -0.47 0.00 0.00 61.79 60.01 1s2j h SER 175 Cb 1.12 -0.26 -0.40 0.00 -0.31 0.00 0.00 62.40 62.55 1s2j h SER 175 CO 0.60 1.18 -0.77 0.20 -0.87 0.00 0.00 176.83 177.16 1s2j s ASN 176 N -6.82 3.44 0.47 4.97 0.02 -1.26 -4.94 114.94 110.82 1s2j s ASN 176 Ca -0.10 -2.46 0.30 0.00 -1.02 0.00 0.00 52.86 49.57 1s2j s ASN 176 Cb 0.12 -0.83 1.62 0.00 0.02 0.00 0.00 41.25 42.17 1s2j s ASN 176 CO 0.87 -0.28 1.90 1.55 0.02 0.00 0.00 177.10 181.15 1s2j h PRO 177 N 6.85 0.00 -0.01 -0.60 0.13 -1.91 -3.55 132.00 132.91 1s2j h PRO 177 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1s2j h PRO 177 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1s2j h PRO 177 CO 0.41 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.90