#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3k h THR 66 N 0.00 1.17 -0.99 -0.44 2.02 -2.06 -3.16 112.91 109.45 2a3k h THR 66 Ca 0.00 -0.34 0.23 0.00 0.77 0.00 0.00 66.41 67.07 2a3k h THR 66 Cb 0.00 0.09 -0.09 0.00 -1.74 0.00 0.00 68.15 66.41 2a3k h THR 66 CO 0.00 0.18 0.64 -0.65 0.37 0.00 0.00 175.52 176.06 2a3k h PRO 67 N 0.99 0.44 -0.67 6.66 0.11 -2.05 0.37 132.00 137.85 2a3k h PRO 67 Ca 0.28 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 2a3k h PRO 67 Cb -0.08 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 2a3k h PRO 67 CO -0.08 0.29 0.18 -0.09 -0.21 0.00 0.00 178.00 178.09 2a3k h ARG 68 N 0.45 1.05 -0.02 1.05 9.65 -1.99 -2.79 114.38 121.79 2a3k h ARG 68 Ca 0.55 -0.24 -0.19 0.00 -1.10 0.00 0.00 59.98 59.00 2a3k h ARG 68 Cb 1.31 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2a3k h ARG 68 CO -0.27 0.92 -0.83 0.93 2.80 0.00 0.00 179.97 183.52 2a3k h GLU 69 N 1.01 0.27 -0.80 0.20 3.07 -0.48 -0.70 114.58 117.15 2a3k h GLU 69 Ca 0.21 -0.27 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 2a3k h GLU 69 Cb 0.33 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 2a3k h GLU 69 CO -0.00 0.96 0.38 0.28 -1.40 0.00 0.00 179.01 179.23 2a3k h VAL 70 N 0.17 1.25 -0.45 3.13 2.07 -0.64 -0.21 116.25 121.56 2a3k h VAL 70 Ca -0.04 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2a3k h VAL 70 Cb 1.44 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2a3k h VAL 70 CO 0.13 0.31 0.15 0.74 0.02 0.00 0.00 177.57 178.92 2a3k h THR 71 N 1.14 1.22 -0.03 2.57 2.02 -1.21 -2.12 112.91 116.51 2a3k h THR 71 Ca 0.27 -0.71 -0.14 0.00 0.77 0.00 0.00 66.41 66.60 2a3k h THR 71 Cb 0.13 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2a3k h THR 71 CO -0.03 0.26 -0.64 -0.07 0.37 0.00 0.00 175.52 175.40 2a3k h LEU 72 N 0.59 0.12 -0.32 2.58 3.38 -0.92 -2.67 115.31 118.07 2a3k h LEU 72 Ca 0.15 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2a3k h LEU 72 Cb 0.25 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2a3k h LEU 72 CO -0.01 0.73 -0.31 -0.74 0.09 0.00 0.00 178.44 178.21 2a3k h HIS 73 N 0.07 0.92 -0.03 1.13 2.76 -0.92 -2.38 115.15 116.70 2a3k h HIS 73 Ca -0.01 -0.27 0.02 0.00 -2.20 0.00 0.00 60.37 57.91 2a3k h HIS 73 Cb 1.15 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 2a3k h HIS 73 CO 0.01 1.04 -0.12 0.35 -1.30 0.00 0.00 177.93 177.91 2a3k h PHE 74 N 0.53 -0.31 -0.16 5.26 3.57 -1.35 -1.91 116.94 122.57 2a3k h PHE 74 Ca 0.05 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2a3k h PHE 74 Cb 0.88 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2a3k h PHE 74 CO 0.07 -0.18 0.10 -0.07 -2.23 0.00 0.00 178.31 175.99 2a3k h LEU 75 N -0.19 0.19 0.00 0.59 3.38 -1.35 0.54 115.31 118.47 2a3k h LEU 75 Ca 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2a3k h LEU 75 Cb 0.26 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2a3k h LEU 75 CO -0.14 0.15 -0.44 0.03 0.09 0.00 0.00 178.44 178.12 2a3k h ARG 76 N 0.22 0.00 0.00 1.13 3.08 -1.19 -3.40 114.38 114.22 2a3k h ARG 76 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2a3k h ARG 76 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2a3k h ARG 76 CO -0.01 0.07 -1.21 0.25 -1.07 0.00 0.00 179.97 178.00 2a3k n THR 77 N -2.97 0.12 -1.62 2.04 -2.24 -0.54 -5.03 114.28 104.04 2a3k n THR 77 Ca 0.02 -0.12 -0.38 0.00 -2.27 0.00 0.00 64.05 61.30 2a3k n THR 77 Cb 0.57 -0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.64 2a3k n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3k n ALA 78 N -1.87 0.23 -3.65 6.98 0.00 0.07 -5.03 120.51 117.24 2a3k n ALA 78 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2a3k n ALA 78 Cb 0.35 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 2a3k n ALA 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2a3k s GLY 79 N -1.25 0.31 -0.42 0.00 0.00 -1.26 -4.42 107.32 100.28 2a3k s GLY 79 Ca 0.76 3.44 0.07 0.00 0.00 0.00 0.00 44.72 49.00 2a3k s GLY 79 CO 0.47 1.91 0.62 1.57 0.00 0.00 0.00 173.10 177.66 2a3k n HIS 80 N 1.60 -1.21 -1.94 1.90 -0.00 -1.26 -4.94 115.22 109.36 2a3k n HIS 80 Ca -0.10 -3.05 -0.42 0.00 0.46 0.00 0.00 57.72 54.61 2a3k n HIS 80 Cb 0.57 0.19 -0.03 0.00 -0.12 0.00 0.00 29.99 30.60 2a3k n HIS 80 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2a3k s PRO 81 N -0.63 4.21 -0.12 1.57 0.04 -1.26 -4.26 135.00 134.55 2a3k s PRO 81 Ca 0.34 2.33 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 2a3k s PRO 81 Cb 0.18 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2a3k s PRO 81 CO -0.15 -0.65 0.04 -0.51 0.04 0.00 0.00 177.00 175.77 2a3k s LEU 82 N 1.72 3.77 0.69 -3.56 1.43 0.17 -4.94 118.68 117.96 2a3k s LEU 82 Ca 0.71 0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 53.84 2a3k s LEU 82 Cb -0.42 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 43.92 2a3k s LEU 82 CO 0.32 0.32 1.15 0.42 0.23 0.00 0.00 176.35 178.79 2a3k s THR 83 N -0.54 2.81 0.22 5.49 -4.23 -1.26 -1.42 115.64 116.71 2a3k s THR 83 Ca 0.10 0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.93 2a3k s THR 83 Cb -0.12 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 70.95 2a3k s THR 83 CO 0.02 -0.22 1.76 -0.09 -0.54 0.00 0.00 174.62 175.55 2a3k h ARG 84 N -0.07 0.49 0.28 3.99 2.43 -1.78 -0.95 114.38 118.77 2a3k h ARG 84 Ca -0.47 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2a3k h ARG 84 Cb 1.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2a3k h ARG 84 CO 0.52 0.33 -0.22 2.35 -1.51 0.00 0.00 179.97 181.44 2a3k h TRP 85 N 0.51 -0.57 -0.37 2.20 7.01 -1.92 -1.59 115.95 121.23 2a3k h TRP 85 Ca 0.33 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.40 2a3k h TRP 85 Cb 0.39 0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 27.60 2a3k h TRP 85 CO -0.14 -0.33 -0.05 0.00 -2.79 0.00 0.00 178.44 175.14 2a3k h ALA 86 N 0.17 0.28 -0.84 2.65 0.00 -1.80 0.15 119.26 119.88 2a3k h ALA 86 Ca -0.02 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2a3k h ALA 86 Cb 0.44 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.39 2a3k h ALA 86 CO -0.01 -0.43 0.48 1.25 0.00 0.00 0.00 179.25 180.54 2a3k h LEU 87 N 0.04 0.68 0.20 0.00 5.85 -1.04 -0.45 115.31 120.59 2a3k h LEU 87 Ca 0.18 0.05 -0.32 0.00 0.84 0.00 0.00 57.88 58.63 2a3k h LEU 87 Cb 0.26 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.23 2a3k h LEU 87 CO -0.34 0.38 -1.48 1.56 -0.34 0.00 0.00 178.44 178.22 2a3k h GLN 88 N 0.79 0.41 0.00 1.25 4.20 -0.46 -3.39 115.11 117.91 2a3k h GLN 88 Ca 0.41 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2a3k h GLN 88 Cb 0.40 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2a3k h GLN 88 CO -0.26 1.32 0.00 0.54 -0.67 0.00 0.00 178.83 179.76 2a3k n ARG 89 N -3.61 4.29 -2.75 1.46 5.12 0.46 -4.79 116.66 116.82 2a3k n ARG 89 Ca -0.16 -0.11 -0.09 0.00 -1.93 0.00 0.00 57.85 55.55 2a3k n ARG 89 Cb 1.07 -0.56 0.08 0.00 -1.16 0.00 0.00 32.46 31.89 2a3k n ARG 89 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2a3k n GLN 90 N -0.64 0.99 -1.23 5.56 7.27 -0.23 -5.00 117.38 124.10 2a3k n GLN 90 Ca 0.00 -1.98 -0.29 0.00 0.07 0.00 0.00 57.00 54.80 2a3k n GLN 90 Cb 0.01 -1.10 0.16 0.00 2.41 0.00 0.00 30.24 31.71 2a3k n GLN 90 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2a3k s PRO 91 N 0.19 0.84 0.24 3.69 0.04 -0.89 -4.57 135.00 134.53 2a3k s PRO 91 Ca 0.24 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 2a3k s PRO 91 Cb 0.29 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.96 2a3k s PRO 91 CO -0.07 -2.47 1.18 -2.14 0.04 0.00 0.00 177.00 173.54 2a3k s PRO 92 N -4.99 4.52 0.67 0.56 0.02 -1.26 -4.98 135.00 129.54 2a3k s PRO 92 Ca 0.64 1.90 -0.17 0.00 0.02 0.00 0.00 61.00 63.40 2a3k s PRO 92 Cb -0.18 -3.20 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 2a3k s PRO 92 CO 0.57 0.00 0.86 -1.13 -0.33 0.00 0.00 177.00 176.97 2a3k n SER 93 N 1.80 0.20 -0.34 2.53 3.41 -1.26 -4.71 113.62 115.26 2a3k n SER 93 Ca 0.02 0.71 0.21 0.00 -0.26 0.00 0.00 58.87 59.55 2a3k n SER 93 Cb 0.44 -1.35 0.43 0.00 -0.26 0.00 0.00 64.21 63.47 2a3k n SER 93 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2a3k h PRO 94 N 0.03 0.42 -0.25 4.33 0.11 -2.00 -1.48 132.00 133.16 2a3k h PRO 94 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2a3k h PRO 94 Cb 1.35 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2a3k h PRO 94 CO 0.48 0.28 0.02 -0.22 -0.21 0.00 0.00 178.00 178.35 2a3k h LYS 95 N 0.43 0.43 -0.83 1.05 1.63 -2.00 -2.09 116.57 115.20 2a3k h LYS 95 Ca 0.69 -0.13 0.10 0.00 -0.85 0.00 0.00 60.65 60.47 2a3k h LYS 95 Cb 1.46 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.98 2a3k h LYS 95 CO -0.55 0.58 0.54 1.96 -3.45 0.00 0.00 179.45 178.53 2a3k h GLN 96 N 0.23 0.73 -0.09 1.90 4.20 -1.64 -2.11 115.11 118.32 2a3k h GLN 96 Ca 0.08 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 2a3k h GLN 96 Cb 0.37 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2a3k h GLN 96 CO 0.01 0.48 -0.70 -0.07 -0.67 0.00 0.00 178.83 177.88 2a3k h LEU 97 N 0.75 0.48 0.47 1.46 3.38 -1.09 -2.28 115.31 118.49 2a3k h LEU 97 Ca 0.39 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2a3k h LEU 97 Cb 0.49 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2a3k h LEU 97 CO -0.16 1.03 -0.23 -0.33 0.09 0.00 0.00 178.44 178.85 2a3k h GLU 98 N 0.29 -0.61 -0.52 1.13 5.08 -0.92 -1.01 114.58 118.02 2a3k h GLU 98 Ca -0.02 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 2a3k h GLU 98 Cb 1.26 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.55 2a3k h GLU 98 CO 0.12 -0.33 -0.47 0.93 -1.00 0.00 0.00 179.01 178.25 2a3k h GLU 99 N -0.81 -0.27 -0.49 2.33 5.08 -1.46 0.15 114.58 119.11 2a3k h GLU 99 Ca -0.07 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2a3k h GLU 99 Cb 0.56 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 2a3k h GLU 99 CO 0.11 -0.18 0.02 1.49 -1.00 0.00 0.00 179.01 179.44 2a3k h GLU 100 N -0.28 0.13 -0.85 2.33 4.81 -1.38 -1.67 114.58 117.67 2a3k h GLU 100 Ca 0.14 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 2a3k h GLU 100 Cb 0.57 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 2a3k h GLU 100 CO -0.65 0.09 0.45 0.35 -0.73 0.00 0.00 179.01 178.52 2a3k h PHE 101 N 0.14 1.17 0.00 0.92 3.57 -0.49 -3.08 116.94 119.17 2a3k h PHE 101 Ca 0.25 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2a3k h PHE 101 Cb 0.36 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2a3k h PHE 101 CO -0.29 0.82 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.30 2a3k h LEU 102 N 1.19 0.00 -0.31 0.59 3.38 0.23 -1.14 115.31 119.25 2a3k h LEU 102 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2a3k h LEU 102 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2a3k h LEU 102 CO -0.05 0.24 0.00 0.29 0.09 0.00 0.00 178.44 179.02 2a3k n LYS 103 N -3.97 0.20 -2.64 1.13 5.02 -1.02 -4.77 118.16 112.12 2a3k n LYS 103 Ca -0.02 0.29 -0.43 0.00 -2.02 0.00 0.00 58.31 56.14 2a3k n LYS 103 Cb 0.32 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 2a3k n LYS 103 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2a3k s ILE 104 N -3.18 4.43 0.65 -0.18 1.01 -0.43 -5.00 121.20 118.49 2a3k s ILE 104 Ca 0.08 1.56 -0.15 0.00 0.00 0.00 0.00 60.65 62.14 2a3k s ILE 104 Cb 0.11 -4.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 2a3k s ILE 104 CO 0.49 -0.63 1.11 -2.84 0.00 0.00 0.00 174.94 173.07 2a3k s PRO 105 N 3.86 2.85 0.02 2.79 0.02 -1.26 -4.96 135.00 138.32 2a3k s PRO 105 Ca 0.46 1.42 -0.20 0.00 0.02 0.00 0.00 61.00 62.69 2a3k s PRO 105 Cb -0.11 -1.95 -0.19 0.00 0.02 0.00 0.00 34.50 32.27 2a3k s PRO 105 CO 0.20 -1.21 1.21 0.77 -0.33 0.00 0.00 177.00 177.63 2a3k h SER 106 N 0.14 0.45 -1.42 2.53 0.02 -1.97 -3.46 113.55 109.84 2a3k h SER 106 Ca -0.47 -0.63 -0.22 0.00 -0.84 0.00 0.00 61.79 59.62 2a3k h SER 106 Cb 1.25 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 2a3k h SER 106 CO 0.54 1.01 -0.27 -3.20 -1.14 0.00 0.00 176.83 173.77 2a3k n ASN 107 N -4.39 -3.72 -4.77 3.07 5.15 -1.26 -1.35 115.26 107.99 2a3k n ASN 107 Ca -0.08 0.03 -0.38 0.00 -0.60 0.00 0.00 54.58 53.55 2a3k n ASN 107 Cb 0.51 -2.84 -0.01 0.00 -0.53 0.00 0.00 39.78 36.91 2a3k n ASN 107 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2a3k s PHE 108 N -2.53 2.95 0.19 1.20 2.99 -1.26 -3.98 117.98 117.53 2a3k s PHE 108 Ca 0.00 1.51 -0.30 0.00 0.00 0.00 0.00 56.93 58.14 2a3k s PHE 108 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 43.02 39.46 2a3k s PHE 108 CO 0.00 -1.61 1.12 0.08 -0.00 0.00 0.00 175.22 174.81 2a3k s VAL 109 N -1.37 3.78 0.33 -0.44 1.01 -1.26 -5.03 120.40 117.41 2a3k s VAL 109 Ca 0.58 1.55 -0.29 0.00 0.00 0.00 0.00 61.98 63.83 2a3k s VAL 109 Cb -0.33 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 31.96 2a3k s VAL 109 CO 0.41 0.27 1.27 -0.94 0.00 0.00 0.00 175.10 176.12 2a3k s SER 110 N -0.13 6.81 0.51 3.32 1.04 -1.26 -4.73 113.70 119.25 2a3k s SER 110 Ca 0.50 2.61 0.23 0.00 0.48 0.00 0.00 55.95 59.77 2a3k s SER 110 Cb -0.30 -2.64 1.32 0.00 0.10 0.00 0.00 66.02 64.49 2a3k s SER 110 CO 0.36 -0.50 1.97 -0.65 0.98 0.00 0.00 173.24 175.40 2a3k h PRO 111 N 3.38 0.10 0.00 4.02 0.11 -1.97 -2.35 132.00 135.28 2a3k h PRO 111 Ca -0.49 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 2a3k h PRO 111 Cb 1.23 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2a3k h PRO 111 CO 0.65 0.06 -0.88 0.93 -0.21 0.00 0.00 178.00 178.56 2a3k h GLU 112 N 0.10 0.00 -0.18 1.05 3.07 -2.01 -3.29 114.58 113.33 2a3k h GLU 112 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 2a3k h GLU 112 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 2a3k h GLU 112 CO -0.03 0.88 0.00 -0.40 -1.40 0.00 0.00 179.01 178.06 2a3k n ASP 113 N -3.46 1.10 -0.11 1.42 5.75 -0.89 -3.63 116.55 116.73 2a3k n ASP 113 Ca -0.00 -1.86 -0.15 0.00 -0.01 0.00 0.00 54.79 52.76 2a3k n ASP 113 Cb 0.84 -0.12 -0.11 0.00 -1.03 0.00 0.00 41.12 40.71 2a3k n ASP 113 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2a3k n LEU 114 N 0.04 2.62 -3.62 -2.12 7.94 -1.21 -4.93 117.00 115.73 2a3k n LEU 114 Ca 0.10 -0.11 -0.21 0.00 -1.11 0.00 0.00 56.01 54.68 2a3k n LEU 114 Cb 0.19 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2a3k n LEU 114 CO 0.07 0.84 -0.22 -0.90 -1.11 0.00 0.00 177.39 176.07 2a3k n ASP 115 N -3.12 -4.08 -3.55 1.96 3.85 -1.24 -4.99 116.55 105.38 2a3k n ASP 115 Ca -0.40 -0.84 -0.23 0.00 -0.71 0.00 0.00 54.79 52.60 2a3k n ASP 115 Cb 0.96 -1.36 -0.15 0.00 -1.35 0.00 0.00 41.12 39.22 2a3k n ASP 115 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 2a3k s ILE 116 N -2.84 -0.18 0.17 2.12 -4.36 -1.26 -5.14 121.20 109.70 2a3k s ILE 116 Ca 0.00 -0.26 -0.33 0.00 -0.26 0.00 0.00 60.65 59.80 2a3k s ILE 116 Cb -0.00 -0.70 -0.12 0.00 1.25 0.00 0.00 42.46 42.89 2a3k s ILE 116 CO 0.77 -0.34 1.70 -0.81 0.24 0.00 0.00 174.94 176.50 2a3k n PRO 117 N 5.29 2.55 -1.54 0.37 -0.04 -1.26 -3.23 135.00 137.14 2a3k n PRO 117 Ca -0.06 0.92 -0.06 0.00 -0.04 0.00 0.00 63.50 64.26 2a3k n PRO 117 Cb 0.48 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 2a3k n PRO 117 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2a3k n GLY 118 N 3.84 0.59 0.19 0.55 0.00 -1.26 -4.92 105.19 104.18 2a3k n GLY 118 Ca 0.17 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.62 2a3k n GLY 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2a3k h HIS 119 N 0.00 0.00 -0.91 1.61 2.07 -2.00 -3.38 115.15 112.54 2a3k h HIS 119 Ca -0.14 0.00 0.13 0.00 -2.85 0.00 0.00 60.37 57.51 2a3k h HIS 119 Cb 0.68 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.57 2a3k h HIS 119 CO 0.18 0.00 0.53 0.00 -3.07 0.00 0.00 177.93 175.56 2a3k h ALA 120 N 2.19 1.37 -0.19 6.11 0.00 -1.91 -2.13 119.26 124.69 2a3k h ALA 120 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2a3k h ALA 120 Cb 0.61 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2a3k h ALA 120 CO 0.00 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.18 2a3k n SER 121 N -4.75 2.25 0.00 0.00 3.41 -1.26 -2.82 113.62 110.45 2a3k n SER 121 Ca 0.18 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 2a3k n SER 121 Cb 0.39 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2a3k n SER 121 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2a3k n LYS 122 N 0.20 0.54 -4.18 4.33 5.02 -0.80 -4.93 118.16 118.34 2a3k n LYS 122 Ca 0.09 -0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 55.29 2a3k n LYS 122 Cb 0.48 -0.87 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 2a3k n LYS 122 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2a3k s ASP 123 N -0.32 5.56 0.05 4.39 1.01 -1.13 -4.38 116.67 121.86 2a3k s ASP 123 Ca 0.00 0.16 -0.05 0.00 0.71 0.00 0.00 52.55 53.37 2a3k s ASP 123 Cb 0.00 -1.60 -0.29 0.00 1.01 0.00 0.00 42.92 42.04 2a3k s ASP 123 CO 0.00 0.32 1.06 -0.09 0.21 0.00 0.00 175.17 176.67 2a3k h ARG 124 N 4.54 0.29 -5.15 8.23 2.43 -1.90 -3.45 114.38 119.37 2a3k h ARG 124 Ca -0.50 -0.50 -0.63 0.00 -0.81 0.00 0.00 59.98 57.54 2a3k h ARG 124 Cb 1.19 0.19 -0.33 0.00 -0.42 0.00 0.00 29.97 30.60 2a3k h ARG 124 CO 0.59 1.22 -0.86 0.71 -1.51 0.00 0.00 179.97 180.12 2a3k s TYR 125 N -2.64 2.18 0.54 2.20 1.51 -1.26 -5.03 117.35 114.84 2a3k s TYR 125 Ca -0.06 -0.84 0.20 0.00 -1.01 0.00 0.00 57.07 55.36 2a3k s TYR 125 Cb 0.07 -1.48 1.40 0.00 -0.11 0.00 0.00 41.96 41.83 2a3k s TYR 125 CO 0.88 -0.35 2.16 0.87 -1.11 0.00 0.00 175.55 178.00 2a3k h LYS 126 N 6.71 0.00 -0.18 -0.62 6.56 -1.93 -2.78 116.57 124.34 2a3k h LYS 126 Ca -0.24 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 2a3k h LYS 126 Cb 1.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 2a3k h LYS 126 CO 0.47 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 178.11 2a3k n THR 127 N -4.37 0.21 -3.95 -0.16 -2.24 -1.26 -4.73 114.28 97.78 2a3k n THR 127 Ca -0.02 -0.55 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 2a3k n THR 127 Cb 0.14 1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 69.30 2a3k n THR 127 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2a3k s ILE 128 N -1.79 2.58 0.12 2.28 1.01 -1.05 -4.88 121.20 119.47 2a3k s ILE 128 Ca 0.34 -2.92 0.09 0.00 0.00 0.00 0.00 60.65 58.17 2a3k s ILE 128 Cb 0.21 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 2a3k s ILE 128 CO 0.31 -0.73 -0.20 -0.76 0.00 0.00 0.00 174.94 173.55 2a3k s LEU 129 N 0.19 2.61 0.05 2.97 1.43 -1.26 -4.74 118.68 119.93 2a3k s LEU 129 Ca 0.15 -0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 52.33 2a3k s LEU 129 Cb -0.23 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.46 2a3k s LEU 129 CO -0.03 0.17 1.35 -2.16 0.23 0.00 0.00 176.35 175.92 2a3k s PRO 130 N -2.16 4.33 0.32 1.29 0.04 -1.26 -4.56 135.00 133.00 2a3k s PRO 130 Ca 0.17 1.96 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2a3k s PRO 130 Cb -0.10 -3.41 -0.12 0.00 0.04 0.00 0.00 34.50 30.91 2a3k s PRO 130 CO 0.09 -0.46 1.53 0.09 0.04 0.00 0.00 177.00 178.29 2a3k n ASN 131 N 4.55 3.70 -0.09 6.66 4.13 -1.26 -4.85 115.26 128.11 2a3k n ASN 131 Ca 0.12 1.18 -0.12 0.00 1.68 0.00 0.00 54.58 57.44 2a3k n ASN 131 Cb 0.44 -1.59 -0.04 0.00 -1.54 0.00 0.00 39.78 37.05 2a3k n ASN 131 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2a3k h PRO 132 N 4.00 0.53 -0.55 3.52 0.13 -1.94 0.11 132.00 137.80 2a3k h PRO 132 Ca -0.48 -0.21 0.08 0.00 -0.87 0.00 0.00 66.00 64.52 2a3k h PRO 132 Cb 1.24 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2a3k h PRO 132 CO 0.73 0.75 0.37 1.96 -0.23 0.00 0.00 178.00 181.57 2a3k h GLN 133 N 0.28 0.41 -0.01 0.86 7.50 -1.96 -2.71 115.11 119.48 2a3k h GLN 133 Ca 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.19 2a3k h GLN 133 Cb 0.56 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.00 2a3k h GLN 133 CO 0.03 0.27 -0.20 -1.13 -1.50 0.00 0.00 178.83 176.30 2a3k n SER 134 N -4.47 1.89 -4.55 1.46 3.41 -1.11 -5.03 113.62 105.21 2a3k n SER 134 Ca 0.08 -1.44 -0.51 0.00 -0.26 0.00 0.00 58.87 56.74 2a3k n SER 134 Cb 0.30 0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 2a3k n SER 134 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2a3k n ARG 135 N 0.27 0.89 -2.93 4.33 0.63 0.36 -1.06 116.66 119.15 2a3k n ARG 135 Ca 0.08 0.32 -0.40 0.00 -0.92 0.00 0.00 57.85 56.92 2a3k n ARG 135 Cb 0.36 -1.80 -0.04 0.00 0.45 0.00 0.00 32.46 31.42 2a3k n ARG 135 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2a3k s VAL 136 N -0.11 4.82 -0.21 5.15 1.01 -0.88 -4.76 120.40 125.42 2a3k s VAL 136 Ca 0.77 1.70 -0.05 0.00 0.00 0.00 0.00 61.98 64.40 2a3k s VAL 136 Cb -0.94 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 31.27 2a3k s VAL 136 CO 0.52 0.29 -0.01 0.00 0.00 0.00 0.00 175.10 175.91 2a3k s LEU 138 N 1.26 3.76 0.00 0.00 1.43 -1.26 -5.05 118.68 118.82 2a3k s LEU 138 Ca 0.04 1.76 -0.04 0.00 -1.03 0.00 0.00 54.13 54.86 2a3k s LEU 138 Cb -0.15 -3.52 -0.20 0.00 0.03 0.00 0.00 46.19 42.35 2a3k s LEU 138 CO 0.01 -1.51 3.06 0.61 0.23 0.00 0.00 176.35 178.75 2a3k n GLY 139 N 5.10 2.74 0.00 -3.19 0.00 -1.26 -4.85 105.19 103.73 2a3k n GLY 139 Ca 0.23 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2a3k n GLY 139 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a3k n ASP 148 N 2.32 0.00 -4.62 1.61 2.03 -1.26 -5.17 116.55 111.46 2a3k n ASP 148 Ca 0.31 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.28 2a3k n ASP 148 Cb 0.77 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.06 2a3k n ASP 148 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2a3k s TYR 149 N 0.01 3.06 -0.08 -0.67 5.04 -1.26 -4.79 117.35 118.66 2a3k s TYR 149 Ca 0.00 0.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.63 2a3k s TYR 149 Cb 0.00 -1.79 0.03 0.00 0.35 0.00 0.00 41.96 40.55 2a3k s TYR 149 CO 0.00 0.34 0.20 -1.50 -1.34 0.00 0.00 175.55 173.25 2a3k s ILE 150 N -0.65 -0.02 -1.01 3.14 2.07 -1.26 -4.97 121.20 118.49 2a3k s ILE 150 Ca 0.10 0.09 -0.23 0.00 -1.41 0.00 0.00 60.65 59.19 2a3k s ILE 150 Cb -0.12 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.14 2a3k s ILE 150 CO 0.02 0.04 1.84 0.21 -1.91 0.00 0.00 174.94 175.13 2a3k s ASN 151 N 0.70 5.50 0.00 4.50 3.84 -1.26 -4.71 114.94 123.50 2a3k s ASN 151 Ca -0.05 -1.16 -0.29 0.00 0.21 0.00 0.00 52.86 51.57 2a3k s ASN 151 Cb -0.06 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 2a3k s ASN 151 CO -0.04 -2.47 0.66 0.00 -2.79 0.00 0.00 177.10 172.46 2a3k s ALA 152 N 8.91 -1.72 -0.04 1.71 0.00 -1.26 -3.24 121.76 126.11 2a3k s ALA 152 Ca 0.64 1.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 2a3k s ALA 152 Cb -0.03 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.33 2a3k s ALA 152 CO 0.01 -0.47 0.11 -0.80 0.00 0.00 0.00 175.76 174.61 2a3k s ASN 153 N -1.59 -0.09 0.39 0.00 -0.87 -0.26 -2.06 114.94 110.47 2a3k s ASN 153 Ca -0.08 0.22 -0.27 0.00 -1.57 0.00 0.00 52.86 51.16 2a3k s ASN 153 Cb -0.00 0.17 -0.11 0.00 -0.02 0.00 0.00 41.25 41.29 2a3k s ASN 153 CO 0.04 -0.08 1.41 -1.22 -2.57 0.00 0.00 177.10 174.68 2a3k n TYR 154 N 3.54 2.68 -4.58 2.20 4.02 -0.22 -1.93 117.16 122.87 2a3k n TYR 154 Ca -0.19 0.47 -0.24 0.00 -0.01 0.00 0.00 57.90 57.94 2a3k n TYR 154 Cb 0.56 -2.47 -0.16 0.00 -0.02 0.00 0.00 39.34 37.24 2a3k n TYR 154 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2a3k s ILE 155 N -1.14 1.10 0.57 -0.72 -1.09 0.46 -4.76 121.20 115.62 2a3k s ILE 155 Ca 0.56 -0.48 -0.17 0.00 -2.23 0.00 0.00 60.65 58.33 2a3k s ILE 155 Cb -0.49 -0.99 -0.05 0.00 -1.58 0.00 0.00 42.46 39.35 2a3k s ILE 155 CO 0.61 0.34 1.05 -0.13 -1.23 0.00 0.00 174.94 175.59 2a3k s ARG 156 N 0.47 3.43 0.00 2.79 3.00 -1.26 -2.18 118.95 125.20 2a3k s ARG 156 Ca -0.10 1.23 0.00 0.00 0.00 0.00 0.00 55.73 56.86 2a3k s ARG 156 Cb -0.14 -2.05 0.00 0.00 0.00 0.00 0.00 34.95 32.77 2a3k s ARG 156 CO 0.03 -0.73 0.00 0.41 0.00 0.00 0.00 175.30 175.01 2a3k n GLY 157 N -0.85 3.80 3.67 -3.53 0.00 0.07 -4.80 105.19 103.55 2a3k n GLY 157 Ca 0.09 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.83 2a3k n GLY 157 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2a3k n TYR 158 N 0.00 2.10 -0.98 1.61 9.36 -1.26 -1.42 117.16 126.58 2a3k n TYR 158 Ca 0.00 0.52 -0.03 0.00 3.32 0.00 0.00 57.90 61.71 2a3k n TYR 158 Cb 0.00 -2.41 -0.01 0.00 -0.63 0.00 0.00 39.34 36.28 2a3k n TYR 158 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2a3k n ASP 159 N 1.40 -5.10 0.00 2.98 8.00 -1.26 -2.39 116.55 120.18 2a3k n ASP 159 Ca 0.08 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.66 2a3k n ASP 159 Cb 0.34 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 2a3k n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a3k n GLY 160 N 0.65 1.01 3.52 0.44 0.00 -0.50 -5.02 105.19 105.30 2a3k n GLY 160 Ca -0.03 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.45 2a3k n GLY 160 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a3k n LYS 161 N -2.00 0.49 -2.45 1.61 4.81 -1.01 -4.51 118.16 115.10 2a3k n LYS 161 Ca 0.00 0.18 -0.35 0.00 -0.87 0.00 0.00 58.31 57.26 2a3k n LYS 161 Cb 0.00 -1.63 -0.03 0.00 0.02 0.00 0.00 35.03 33.40 2a3k n LYS 161 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2a3k s GLU 162 N -0.15 3.81 -1.74 1.64 0.41 -1.26 -0.75 118.70 120.65 2a3k s GLU 162 Ca 0.82 1.50 0.00 0.00 -0.41 0.00 0.00 54.97 56.88 2a3k s GLU 162 Cb -1.06 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 29.06 2a3k s GLU 162 CO 0.54 -0.45 0.00 1.63 -0.49 0.00 0.00 175.26 176.49 2a3k n LYS 163 N -0.74 -1.37 0.12 1.61 5.02 -1.22 -4.81 118.16 116.77 2a3k n LYS 163 Ca 0.08 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2a3k n LYS 163 Cb 0.51 -5.41 0.30 0.00 -0.02 0.00 0.00 35.03 30.41 2a3k n LYS 163 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2a3k h VAL 164 N 0.00 1.26 -3.73 -0.18 2.07 -1.62 -3.35 116.25 110.70 2a3k h VAL 164 Ca -0.41 -1.24 -0.40 0.00 0.82 0.00 0.00 66.70 65.48 2a3k h VAL 164 Cb 1.26 1.53 -0.19 0.00 -1.52 0.00 0.00 31.29 32.37 2a3k h VAL 164 CO 0.53 0.37 -0.76 -0.31 0.02 0.00 0.00 177.57 177.42 2a3k s TYR 165 N -4.34 1.29 -0.20 1.57 1.51 -1.05 -0.90 117.35 115.22 2a3k s TYR 165 Ca -0.04 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.46 2a3k s TYR 165 Cb 0.14 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 2a3k s TYR 165 CO 0.75 0.09 -0.11 0.42 -1.11 0.00 0.00 175.55 175.60 2a3k s ILE 166 N -1.90 2.88 -0.13 2.71 1.01 -0.33 -0.40 121.20 125.04 2a3k s ILE 166 Ca 0.05 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2a3k s ILE 166 Cb -0.06 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2a3k s ILE 166 CO 0.02 0.47 0.14 0.00 0.00 0.00 0.00 174.94 175.57 2a3k s ALA 167 N 1.32 3.84 0.15 9.38 0.00 -0.81 -0.65 121.76 134.98 2a3k s ALA 167 Ca 0.04 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.17 2a3k s ALA 167 Cb -0.14 -1.99 0.04 0.00 0.00 0.00 0.00 23.12 21.03 2a3k s ALA 167 CO -0.06 0.55 0.47 -0.08 0.00 0.00 0.00 175.76 176.64 2a3k s THR 168 N -0.82 0.05 0.80 0.00 -1.32 -1.03 -1.10 115.64 112.23 2a3k s THR 168 Ca 0.14 -0.47 -0.11 0.00 -1.21 0.00 0.00 61.69 60.03 2a3k s THR 168 Cb -0.12 -1.20 0.07 0.00 -1.51 0.00 0.00 72.50 69.75 2a3k s THR 168 CO 0.03 -0.21 1.09 0.00 -2.21 0.00 0.00 174.62 173.32 2a3k s GLN 169 N -3.80 2.03 0.39 7.08 -2.07 -1.20 -3.80 119.66 118.28 2a3k s GLN 169 Ca 0.04 0.96 -0.27 0.00 -1.82 0.00 0.00 55.36 54.26 2a3k s GLN 169 Cb 0.01 -1.89 -0.09 0.00 -1.09 0.00 0.00 33.01 29.95 2a3k s GLN 169 CO -0.11 -1.74 1.35 0.20 -1.32 0.00 0.00 175.29 173.67 2a3k s GLY 170 N -3.53 2.95 0.62 2.60 0.00 -0.79 -4.72 107.32 104.45 2a3k s GLY 170 Ca 0.61 1.32 -0.17 0.00 0.00 0.00 0.00 44.72 46.48 2a3k s GLY 170 CO 0.56 1.94 0.59 -1.05 0.00 0.00 0.00 173.10 175.14 2a3k n PRO 171 N 0.32 0.51 -3.49 2.90 -0.02 -1.26 -4.94 135.00 129.01 2a3k n PRO 171 Ca 0.02 0.21 -0.19 0.00 -2.02 0.00 0.00 63.50 61.52 2a3k n PRO 171 Cb 0.42 -1.81 -0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2a3k n PRO 171 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2a3k s MET 172 N -2.39 3.15 0.54 -0.52 -1.94 -1.26 -4.72 119.30 112.16 2a3k s MET 172 Ca 0.69 -0.96 0.22 0.00 -1.71 0.00 0.00 55.69 53.94 2a3k s MET 172 Cb -0.41 -2.81 1.41 0.00 2.01 0.00 0.00 34.83 35.02 2a3k s MET 172 CO 0.54 0.08 2.09 -1.35 -0.01 0.00 0.00 175.02 176.37 2a3k h PRO 173 N 0.89 0.00 -0.01 2.03 0.11 -1.98 -0.59 132.00 132.46 2a3k h PRO 173 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2a3k h PRO 173 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2a3k h PRO 173 CO 0.54 0.00 -0.43 0.27 -0.21 0.00 0.00 178.00 178.16 2a3k n ASN 174 N -4.32 1.28 -0.77 -2.05 6.94 -1.26 -4.05 115.26 111.02 2a3k n ASN 174 Ca 0.02 -1.03 0.08 0.00 -0.02 0.00 0.00 54.58 53.63 2a3k n ASN 174 Cb 0.32 0.35 0.16 0.00 -2.36 0.00 0.00 39.78 38.24 2a3k n ASN 174 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2a3k n THR 175 N -0.64 0.65 0.30 5.53 -2.24 -0.29 -4.73 114.28 112.86 2a3k n THR 175 Ca 0.10 -0.83 -0.16 0.00 -2.27 0.00 0.00 64.05 60.89 2a3k n THR 175 Cb 0.38 0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 69.31 2a3k n THR 175 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2a3k h VAL 176 N 2.81 0.46 -0.96 2.28 2.07 -1.53 -2.05 116.25 119.34 2a3k h VAL 176 Ca 0.00 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.59 2a3k h VAL 176 Cb 0.75 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 2a3k h VAL 176 CO 0.00 0.02 0.60 0.28 0.02 0.00 0.00 177.57 178.49 2a3k h SER 177 N -0.78 0.72 -0.75 0.57 0.02 -1.86 -1.30 113.55 110.17 2a3k h SER 177 Ca -0.07 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 2a3k h SER 177 Cb 0.58 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2a3k h SER 177 CO 0.12 0.32 0.23 0.44 -1.14 0.00 0.00 176.83 176.81 2a3k h ASP 178 N 0.74 1.10 -0.30 3.07 3.32 -1.83 -1.42 116.42 121.10 2a3k h ASP 178 Ca 0.51 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2a3k h ASP 178 Cb 0.80 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2a3k h ASP 178 CO -0.27 1.02 0.14 0.15 -1.72 0.00 0.00 179.24 178.56 2a3k h PHE 179 N 1.12 0.44 -0.50 4.55 3.57 -0.51 0.11 116.94 125.72 2a3k h PHE 179 Ca 0.24 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 2a3k h PHE 179 Cb 0.31 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2a3k h PHE 179 CO 0.03 0.40 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.84 2a3k h TRP 180 N 0.35 1.13 -0.57 0.41 -0.00 -1.39 -0.89 115.95 114.99 2a3k h TRP 180 Ca 0.10 -0.26 0.07 0.00 -0.00 0.00 0.00 58.89 58.81 2a3k h TRP 180 Cb 0.13 -0.27 -0.06 0.00 -0.00 0.00 0.00 29.16 28.96 2a3k h TRP 180 CO -0.02 1.07 0.24 1.49 -0.00 0.00 0.00 178.44 181.23 2a3k h GLU 181 N 0.87 0.44 0.02 0.49 4.81 -0.97 0.04 114.58 120.29 2a3k h GLU 181 Ca 0.12 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2a3k h GLU 181 Cb 0.74 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2a3k h GLU 181 CO 0.06 0.29 -0.06 1.98 -0.73 0.00 0.00 179.01 180.55 2a3k h MET 182 N 0.45 -0.11 -0.99 1.92 4.05 -0.49 -0.59 114.93 119.16 2a3k h MET 182 Ca 0.27 0.01 0.11 0.00 -0.28 0.00 0.00 59.70 59.81 2a3k h MET 182 Cb 0.28 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.02 2a3k h MET 182 CO -0.24 -0.08 0.62 0.28 0.23 0.00 0.00 176.91 177.72 2a3k h VAL 183 N -0.12 0.94 0.47 -5.77 2.07 -0.36 -0.49 116.25 113.00 2a3k h VAL 183 Ca 0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2a3k h VAL 183 Cb 0.14 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 2a3k h VAL 183 CO -0.05 0.18 -0.23 -0.25 0.02 0.00 0.00 177.57 177.25 2a3k h TRP 184 N 1.00 -0.59 -0.76 1.57 2.91 -0.75 0.11 115.95 119.44 2a3k h TRP 184 Ca 0.48 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.50 2a3k h TRP 184 Cb 0.45 0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.25 2a3k h TRP 184 CO -0.01 -0.29 0.51 1.96 -1.03 0.00 0.00 178.44 179.58 2a3k h GLN 185 N -1.07 1.01 -0.09 2.65 4.20 -0.80 -0.62 115.11 120.39 2a3k h GLN 185 Ca -0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2a3k h GLN 185 Cb 0.57 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2a3k h GLN 185 CO 0.11 0.67 0.00 0.39 -0.67 0.00 0.00 178.83 179.32 2a3k n GLU 186 N -4.42 1.58 -3.46 1.46 -0.58 -0.22 -4.94 120.64 110.06 2a3k n GLU 186 Ca 0.08 -0.86 -0.18 0.00 -0.42 0.00 0.00 57.16 55.79 2a3k n GLU 186 Cb 0.03 -1.42 0.08 0.00 -0.57 0.00 0.00 31.44 29.56 2a3k n GLU 186 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2a3k n GLU 187 N 0.06 -6.16 -2.63 3.49 1.02 -0.24 -4.13 120.64 112.05 2a3k n GLU 187 Ca 0.17 0.82 -0.42 0.00 -0.02 0.00 0.00 57.16 57.72 2a3k n GLU 187 Cb 0.29 -5.77 -0.03 0.00 -0.02 0.00 0.00 31.44 25.91 2a3k n GLU 187 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2a3k s VAL 188 N -3.40 4.48 -0.22 2.62 1.01 0.35 -4.03 120.40 121.22 2a3k s VAL 188 Ca 0.02 1.89 0.02 0.00 0.00 0.00 0.00 61.98 63.91 2a3k s VAL 188 Cb -0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2a3k s VAL 188 CO 0.74 0.20 0.48 -1.54 0.00 0.00 0.00 175.10 174.99 2a3k n SER 189 N 3.43 0.98 -3.70 3.32 3.41 -1.26 -4.82 113.62 115.00 2a3k n SER 189 Ca 0.05 -0.99 -0.16 0.00 -0.26 0.00 0.00 58.87 57.51 2a3k n SER 189 Cb 0.49 0.17 -0.16 0.00 -0.26 0.00 0.00 64.21 64.45 2a3k n SER 189 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2a3k s LEU 190 N -0.48 0.24 -0.10 1.04 2.96 -1.26 -0.45 118.68 120.63 2a3k s LEU 190 Ca 0.02 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2a3k s LEU 190 Cb 0.02 0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.93 2a3k s LEU 190 CO 0.03 -0.21 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.08 2a3k s ILE 191 N 1.90 1.39 -0.18 6.68 1.01 -0.26 -1.28 121.20 130.47 2a3k s ILE 191 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 2a3k s ILE 191 Cb -0.12 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2a3k s ILE 191 CO -0.05 0.42 -0.04 -0.69 0.00 0.00 0.00 174.94 174.57 2a3k s VAL 192 N 0.98 3.65 -0.18 2.92 1.01 0.54 -0.37 120.40 128.95 2a3k s VAL 192 Ca -0.07 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2a3k s VAL 192 Cb -0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 2a3k s VAL 192 CO -0.01 0.46 -0.06 -0.32 0.00 0.00 0.00 175.10 175.17 2a3k s MET 193 N 0.80 3.46 -0.26 2.72 0.00 0.58 -1.55 119.30 125.05 2a3k s MET 193 Ca -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 55.69 55.02 2a3k s MET 193 Cb -0.15 -2.90 0.01 0.00 0.00 0.00 0.00 34.83 31.79 2a3k s MET 193 CO 0.02 0.02 -0.00 -0.51 0.00 0.00 0.00 175.02 174.54 2a3k s LEU 194 N 0.91 3.33 0.00 4.11 1.43 -0.24 -0.06 118.68 128.16 2a3k s LEU 194 Ca -0.01 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2a3k s LEU 194 Cb -0.15 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2a3k s LEU 194 CO 0.01 -0.11 0.23 1.07 0.23 0.00 0.00 176.35 177.78 2a3k n THR 195 N 4.79 0.00 -3.85 5.49 5.66 0.17 -4.40 114.28 122.13 2a3k n THR 195 Ca -0.16 -1.31 -0.18 0.00 -3.05 0.00 0.00 64.05 59.35 2a3k n THR 195 Cb 0.49 0.71 -0.17 0.00 -1.55 0.00 0.00 70.33 69.81 2a3k n THR 195 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2a3k s GLN 196 N -2.67 0.25 0.69 1.09 2.00 -1.24 -1.12 119.66 118.66 2a3k s GLN 196 Ca 0.21 0.14 -0.15 0.00 -2.00 0.00 0.00 55.36 53.56 2a3k s GLN 196 Cb 0.00 -0.52 0.02 0.00 0.80 0.00 0.00 33.01 33.31 2a3k s GLN 196 CO 0.15 -0.19 1.14 -0.48 -0.50 0.00 0.00 175.29 175.42 2a3k s LEU 197 N 1.32 3.34 0.00 3.68 2.34 -0.93 -5.01 118.68 123.41 2a3k s LEU 197 Ca -0.06 2.12 0.00 0.00 0.06 0.00 0.00 54.13 56.26 2a3k s LEU 197 Cb -0.13 -4.56 0.00 0.00 -0.56 0.00 0.00 46.19 40.94 2a3k s LEU 197 CO -0.02 -1.91 0.00 -2.11 -1.06 0.00 0.00 176.35 171.25 2a3k n ARG 198 N -2.61 0.00 -3.97 1.48 1.85 -1.26 -5.12 116.66 107.03 2a3k n ARG 198 Ca 0.11 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.60 2a3k n ARG 198 Cb 0.51 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.85 2a3k n ARG 198 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2a3k s VAL 205 N -1.00 5.25 -0.46 8.89 -7.23 -1.26 -5.25 120.40 119.34 2a3k s VAL 205 Ca 0.00 0.11 -0.28 0.00 -1.81 0.00 0.00 61.98 60.00 2a3k s VAL 205 Cb 0.00 -3.28 0.03 0.00 0.56 0.00 0.00 36.38 33.68 2a3k s VAL 205 CO 0.00 0.60 1.08 -1.00 -0.31 0.00 0.00 175.10 175.47 2a3k s HIS 206 N -0.85 2.87 -1.26 2.82 0.09 -1.26 -4.88 115.29 112.81 2a3k s HIS 206 Ca 0.14 0.67 0.19 0.00 -0.00 0.00 0.00 55.06 56.06 2a3k s HIS 206 Cb -0.12 -4.27 0.72 0.00 -0.00 0.00 0.00 32.58 28.91 2a3k s HIS 206 CO 0.03 -1.19 1.62 2.48 -0.00 0.00 0.00 174.74 177.68 2a3k n TYR 207 N 7.60 1.42 -3.89 1.40 0.18 -1.26 -4.90 117.16 117.72 2a3k n TYR 207 Ca 0.11 -0.60 -0.11 0.00 1.88 0.00 0.00 57.90 59.18 2a3k n TYR 207 Cb 0.49 -0.21 -0.12 0.00 -0.38 0.00 0.00 39.34 39.12 2a3k n TYR 207 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2a3k s TRP 208 N -1.72 0.04 0.71 -3.48 -2.14 -1.26 -5.05 118.94 106.05 2a3k s TRP 208 Ca 0.51 -0.08 -0.01 0.00 2.66 0.00 0.00 56.10 59.18 2a3k s TRP 208 Cb 0.32 -0.05 0.12 0.00 -3.10 0.00 0.00 33.47 30.76 2a3k s TRP 208 CO 0.26 -0.14 0.99 -1.25 -2.66 0.00 0.00 176.95 174.15 2a3k s PRO 209 N -0.72 1.72 0.06 3.25 0.04 -1.26 -5.02 135.00 133.07 2a3k s PRO 209 Ca -0.08 -1.07 -0.15 0.00 0.04 0.00 0.00 61.00 59.74 2a3k s PRO 209 Cb -0.05 -2.33 -0.27 0.00 0.04 0.00 0.00 34.50 31.89 2a3k s PRO 209 CO 0.00 -1.42 1.13 1.15 0.04 0.00 0.00 177.00 177.91 2a3k h THR 210 N -0.51 1.29 0.00 1.26 2.02 -2.01 -3.45 112.91 111.51 2a3k h THR 210 Ca -0.37 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.46 2a3k h THR 210 Cb 1.27 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2a3k h THR 210 CO 0.41 0.72 0.00 1.21 0.37 0.00 0.00 175.52 178.23 2a3k n GLU 211 N -3.85 0.00 -3.69 6.66 4.07 -1.26 -4.82 120.64 117.75 2a3k n GLU 211 Ca -0.13 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.83 2a3k n GLU 211 Cb 0.93 -0.14 -0.08 0.00 -0.06 0.00 0.00 31.44 32.08 2a3k n GLU 211 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2a3k s GLU 212 N -1.43 0.74 0.16 5.31 4.04 -1.26 -1.00 118.70 125.26 2a3k s GLU 212 Ca 0.00 0.10 -0.24 0.00 0.04 0.00 0.00 54.97 54.86 2a3k s GLU 212 Cb 0.00 0.34 0.07 0.00 0.02 0.00 0.00 34.13 34.56 2a3k s GLU 212 CO 0.00 -0.20 1.00 -1.83 -1.84 0.00 0.00 175.26 172.39 2a3k s GLU 213 N -0.97 1.21 -0.08 -4.83 -1.05 -0.85 -4.93 118.70 107.20 2a3k s GLU 213 Ca -0.10 -0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 53.96 2a3k s GLU 213 Cb -0.03 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.00 2a3k s GLU 213 CO 0.05 -0.56 0.13 0.95 0.95 0.00 0.00 175.26 176.78 2a3k s THR 214 N -2.88 5.26 -0.36 1.83 -4.23 -1.26 -1.00 115.64 113.00 2a3k s THR 214 Ca 0.15 0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.69 2a3k s THR 214 Cb -0.01 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.61 2a3k s THR 214 CO 0.03 0.53 0.14 -0.31 -0.54 0.00 0.00 174.62 174.47 2a3k s TYR 215 N -1.09 2.27 0.00 3.99 1.51 0.85 -4.99 117.35 119.89 2a3k s TYR 215 Ca 0.18 -2.26 0.00 0.00 -1.01 0.00 0.00 57.07 53.98 2a3k s TYR 215 Cb -0.12 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.67 2a3k s TYR 215 CO 0.08 -0.86 0.00 0.41 -1.11 0.00 0.00 175.55 174.07 2a3k n GLY 216 N 4.26 2.55 0.33 0.71 0.00 -1.26 -2.93 105.19 108.84 2a3k n GLY 216 Ca 0.03 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.88 2a3k n GLY 216 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a3k n PRO 217 N 13.29 1.44 -4.39 1.61 -0.04 -1.26 -4.84 135.00 140.80 2a3k n PRO 217 Ca 0.00 -0.65 -0.34 0.00 -0.04 0.00 0.00 63.50 62.47 2a3k n PRO 217 Cb 0.00 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 31.95 2a3k n PRO 217 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2a3k s PHE 218 N -1.92 3.07 -0.17 0.54 0.40 -1.15 -4.44 117.98 114.31 2a3k s PHE 218 Ca 0.35 -0.06 -0.08 0.00 -0.60 0.00 0.00 56.93 56.53 2a3k s PHE 218 Cb 0.18 -1.88 -0.04 0.00 0.51 0.00 0.00 43.02 41.79 2a3k s PHE 218 CO 0.28 0.19 0.10 -1.14 0.70 0.00 0.00 175.22 175.35 2a3k s GLN 219 N -0.21 3.92 -0.09 0.44 0.74 -0.50 -0.11 119.66 123.86 2a3k s GLN 219 Ca 0.04 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.20 2a3k s GLN 219 Cb -0.13 -3.27 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 2a3k s GLN 219 CO 0.02 0.39 -0.12 0.42 -0.55 0.00 0.00 175.29 175.45 2a3k s ILE 220 N 0.07 3.19 -0.05 -2.34 1.09 -0.17 -1.29 121.20 121.70 2a3k s ILE 220 Ca 0.07 -0.65 0.01 0.00 -1.10 0.00 0.00 60.65 58.99 2a3k s ILE 220 Cb -0.12 -2.30 0.02 0.00 -1.06 0.00 0.00 42.46 39.00 2a3k s ILE 220 CO -0.00 0.56 -0.06 -0.13 -0.10 0.00 0.00 174.94 175.21 2a3k s ARG 221 N -0.27 1.07 -0.03 2.79 0.52 -0.98 -2.01 118.95 120.05 2a3k s ARG 221 Ca 0.02 -0.18 -0.20 0.00 -0.52 0.00 0.00 55.73 54.85 2a3k s ARG 221 Cb -0.13 -1.00 -0.05 0.00 0.52 0.00 0.00 34.95 34.29 2a3k s ARG 221 CO 0.03 -0.06 0.57 -1.50 0.02 0.00 0.00 175.30 174.36 2a3k s ILE 222 N 0.89 4.99 -0.13 1.52 2.07 -0.17 -0.86 121.20 129.50 2a3k s ILE 222 Ca -0.11 1.18 0.10 0.00 -1.41 0.00 0.00 60.65 60.41 2a3k s ILE 222 Cb -0.15 -3.90 -0.23 0.00 0.13 0.00 0.00 42.46 38.30 2a3k s ILE 222 CO 0.01 0.39 0.32 0.00 -1.91 0.00 0.00 174.94 173.75 2a3k n GLN 223 N 2.96 0.67 -3.64 3.50 1.13 0.45 -4.94 117.38 117.52 2a3k n GLN 223 Ca -0.07 0.18 -0.06 0.00 -1.94 0.00 0.00 57.00 55.11 2a3k n GLN 223 Cb 0.51 -1.66 -0.07 0.00 0.11 0.00 0.00 30.24 29.13 2a3k n GLN 223 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2a3k s ASP 224 N -6.09 -0.67 -0.10 1.08 2.15 -0.80 -4.98 116.67 107.27 2a3k s ASP 224 Ca -0.13 1.10 0.01 0.00 0.43 0.00 0.00 52.55 53.96 2a3k s ASP 224 Cb 0.07 1.24 0.02 0.00 -0.30 0.00 0.00 42.92 43.96 2a3k s ASP 224 CO 0.79 -0.18 -0.11 -0.32 -0.17 0.00 0.00 175.17 175.19 2a3k s MET 225 N 1.24 1.73 -0.12 4.34 1.75 -1.26 0.46 119.30 127.44 2a3k s MET 225 Ca -0.07 -0.37 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 2a3k s MET 225 Cb -0.04 -1.58 0.02 0.00 2.84 0.00 0.00 34.83 36.07 2a3k s MET 225 CO -0.15 -0.12 -0.10 -1.59 -0.65 0.00 0.00 175.02 172.41 2a3k s LYS 226 N 1.19 1.84 -0.10 4.11 -2.85 -0.41 -5.01 119.74 118.51 2a3k s LYS 226 Ca -0.04 -0.38 -0.22 0.00 -1.00 0.00 0.00 55.97 54.32 2a3k s LYS 226 Cb -0.14 -1.78 -0.03 0.00 -2.06 0.00 0.00 37.83 33.82 2a3k s LYS 226 CO -0.03 -0.23 0.66 -1.21 0.10 0.00 0.00 175.35 174.64 2a3k s GLU 227 N 1.55 4.38 0.42 1.78 8.01 -1.26 -1.19 118.70 132.39 2a3k s GLU 227 Ca 0.04 0.78 0.07 0.00 0.01 0.00 0.00 54.97 55.86 2a3k s GLU 227 Cb -0.13 -3.47 -0.06 0.00 -4.31 0.00 0.00 34.13 26.16 2a3k s GLU 227 CO -0.08 0.01 0.07 0.00 0.01 0.00 0.00 175.26 175.27 2a3k s PRO 229 N -3.80 3.87 0.00 0.00 0.02 -1.26 -3.32 135.00 130.51 2a3k s PRO 229 Ca 0.34 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.75 2a3k s PRO 229 Cb 0.07 -3.94 0.00 0.00 0.02 0.00 0.00 34.50 30.65 2a3k s PRO 229 CO 0.18 -1.19 0.00 -0.85 -0.33 0.00 0.00 177.00 174.81 2a3k n GLU 230 N 7.44 0.00 -3.93 5.54 -0.00 -1.26 -5.00 120.64 123.43 2a3k n GLU 230 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.23 2a3k n GLU 230 Cb 0.46 -0.06 -0.10 0.00 -0.00 0.00 0.00 31.44 31.74 2a3k n GLU 230 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2a3k s TYR 231 N -2.18 0.19 -0.13 -1.84 1.13 -1.21 -0.29 117.35 113.02 2a3k s TYR 231 Ca 0.00 -0.46 0.02 0.00 -1.41 0.00 0.00 57.07 55.22 2a3k s TYR 231 Cb 0.00 -0.14 -0.00 0.00 -1.10 0.00 0.00 41.96 40.71 2a3k s TYR 231 CO 0.00 -0.31 -0.19 0.99 -2.51 0.00 0.00 175.55 173.53 2a3k s THR 232 N -2.18 2.44 -0.41 -3.49 2.01 -0.36 -0.70 115.64 112.94 2a3k s THR 232 Ca -0.09 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 2a3k s THR 232 Cb -0.04 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.50 2a3k s THR 232 CO -0.03 0.54 0.39 -0.69 -0.69 0.00 0.00 174.62 174.13 2a3k s VAL 233 N 0.62 5.15 -0.30 3.82 1.01 -0.34 -1.18 120.40 129.18 2a3k s VAL 233 Ca -0.10 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 2a3k s VAL 233 Cb -0.16 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 2a3k s VAL 233 CO 0.03 -0.36 0.12 -0.13 0.00 0.00 0.00 175.10 174.76 2a3k s ARG 234 N 1.97 3.24 -0.14 2.72 0.52 0.16 -1.29 118.95 126.13 2a3k s ARG 234 Ca 0.10 -0.77 -0.20 0.00 -0.52 0.00 0.00 55.73 54.33 2a3k s ARG 234 Cb -0.18 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.78 2a3k s ARG 234 CO 0.12 -0.42 0.57 -1.14 0.02 0.00 0.00 175.30 174.45 2a3k s GLN 235 N 1.57 4.30 0.16 3.54 2.00 0.17 -0.12 119.66 131.28 2a3k s GLN 235 Ca 0.04 0.58 -0.07 0.00 -2.00 0.00 0.00 55.36 53.91 2a3k s GLN 235 Cb -0.17 -3.50 -0.02 0.00 0.80 0.00 0.00 33.01 30.12 2a3k s GLN 235 CO 0.05 -0.03 0.24 -0.48 -0.50 0.00 0.00 175.29 174.57 2a3k s LEU 236 N 1.21 1.09 0.20 3.68 0.05 -0.38 0.17 118.68 124.70 2a3k s LEU 236 Ca 0.29 -0.97 0.10 0.00 0.05 0.00 0.00 54.13 53.60 2a3k s LEU 236 Cb -0.16 1.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.94 2a3k s LEU 236 CO 0.12 -0.87 -0.20 0.42 -0.55 0.00 0.00 176.35 175.27 2a3k s THR 237 N -4.00 2.10 -0.03 5.48 -4.23 -0.04 -0.38 115.64 114.54 2a3k s THR 237 Ca 0.20 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 2a3k s THR 237 Cb 0.04 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2a3k s THR 237 CO 0.01 -0.30 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.17 2a3k s ILE 238 N -2.11 0.99 -0.05 2.99 2.07 0.96 -2.31 121.20 123.74 2a3k s ILE 238 Ca 0.21 -0.46 0.04 0.00 -1.41 0.00 0.00 60.65 59.02 2a3k s ILE 238 Cb -0.06 -0.87 -0.00 0.00 0.13 0.00 0.00 42.46 41.66 2a3k s ILE 238 CO 0.09 0.30 -0.17 -1.58 -1.91 0.00 0.00 174.94 171.68 2a3k s GLN 239 N 0.21 1.84 -0.03 3.50 0.74 -0.42 -0.69 119.66 124.82 2a3k s GLN 239 Ca -0.04 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 54.77 2a3k s GLN 239 Cb -0.10 -1.57 0.03 0.00 1.10 0.00 0.00 33.01 32.47 2a3k s GLN 239 CO 0.01 0.21 0.03 -0.47 -0.55 0.00 0.00 175.29 174.52 2a3k s TYR 240 N 0.15 0.16 0.00 1.67 5.04 -0.88 -1.41 117.35 122.08 2a3k s TYR 240 Ca -0.06 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 2a3k s TYR 240 Cb -0.12 -0.39 0.00 0.00 0.35 0.00 0.00 41.96 41.80 2a3k s TYR 240 CO 0.03 -0.14 0.00 1.04 -1.34 0.00 0.00 175.55 175.14 2a3k n GLN 241 N 4.53 0.00 -1.98 4.97 6.02 -1.26 -1.68 117.38 127.97 2a3k n GLN 241 Ca -0.20 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.58 2a3k n GLN 241 Cb 0.50 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.79 2a3k n GLN 241 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2a3k n GLU 242 N 0.00 3.40 -4.14 -1.09 -0.58 -1.26 -5.03 120.64 111.94 2a3k n GLU 242 Ca 0.00 -4.08 -0.16 0.00 -0.42 0.00 0.00 57.16 52.50 2a3k n GLU 242 Cb 0.00 -2.20 -0.12 0.00 -0.57 0.00 0.00 31.44 28.55 2a3k n GLU 242 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2a3k s GLU 243 N -3.58 0.73 -0.03 3.49 2.02 -0.68 -5.16 118.70 115.50 2a3k s GLU 243 Ca 0.49 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 54.56 2a3k s GLU 243 Cb 0.40 -0.59 0.02 0.00 0.10 0.00 0.00 34.13 34.06 2a3k s GLU 243 CO 0.03 0.12 -0.02 0.50 0.02 0.00 0.00 175.26 175.90 2a3k s ARG 244 N -1.89 0.48 0.01 1.61 3.52 -1.26 -2.07 118.95 119.35 2a3k s ARG 244 Ca -0.03 -0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.58 2a3k s ARG 244 Cb -0.09 -0.56 -0.02 0.00 -1.56 0.00 0.00 34.95 32.73 2a3k s ARG 244 CO 0.01 -0.06 -0.15 1.03 -0.81 0.00 0.00 175.30 175.32 2a3k s ARG 245 N 0.72 1.16 0.00 5.12 0.52 0.14 -4.94 118.95 121.66 2a3k s ARG 245 Ca -0.08 -0.63 -0.21 0.00 -0.52 0.00 0.00 55.73 54.28 2a3k s ARG 245 Cb -0.11 -1.15 -0.05 0.00 0.52 0.00 0.00 34.95 34.16 2a3k s ARG 245 CO -0.01 0.30 0.62 -1.54 0.02 0.00 0.00 175.30 174.70 2a3k s SER 246 N -0.64 7.01 -0.03 0.23 1.04 -1.26 -0.03 113.70 120.02 2a3k s SER 246 Ca 0.05 1.20 0.06 0.00 0.48 0.00 0.00 55.95 57.73 2a3k s SER 246 Cb -0.07 -2.38 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 2a3k s SER 246 CO 0.00 0.08 -0.20 -0.69 0.98 0.00 0.00 173.24 173.41 2a3k s VAL 247 N -0.14 1.64 -0.17 5.02 1.01 0.48 -4.68 120.40 123.56 2a3k s VAL 247 Ca 0.32 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 2a3k s VAL 247 Cb -0.18 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2a3k s VAL 247 CO 0.18 0.46 0.38 -0.75 0.00 0.00 0.00 175.10 175.37 2a3k s LYS 248 N -0.29 4.23 -0.13 2.72 2.20 0.41 -1.25 119.74 127.63 2a3k s LYS 248 Ca 0.03 0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 2a3k s LYS 248 Cb -0.10 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 2a3k s LYS 248 CO 0.01 0.08 -0.17 -1.58 -0.36 0.00 0.00 175.35 173.33 2a3k s HIS 249 N 0.92 2.73 -0.14 4.03 5.65 0.83 -1.10 115.29 128.21 2a3k s HIS 249 Ca 0.19 -0.91 0.02 0.00 0.25 0.00 0.00 55.06 54.62 2a3k s HIS 249 Cb -0.14 -1.83 0.01 0.00 -1.18 0.00 0.00 32.58 29.44 2a3k s HIS 249 CO 0.07 -0.37 -0.21 0.42 -0.65 0.00 0.00 174.74 173.99 2a3k s ILE 250 N 0.53 2.03 -0.38 0.89 1.01 0.50 0.39 121.20 126.18 2a3k s ILE 250 Ca -0.11 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 2a3k s ILE 250 Cb -0.16 -1.80 0.07 0.00 0.01 0.00 0.00 42.46 40.57 2a3k s ILE 250 CO 0.04 0.54 0.17 -0.22 0.00 0.00 0.00 174.94 175.47 2a3k s LEU 251 N 0.87 4.73 -0.18 2.97 0.20 -0.32 -0.31 118.68 126.64 2a3k s LEU 251 Ca -0.06 -1.43 -0.24 0.00 0.69 0.00 0.00 54.13 53.09 2a3k s LEU 251 Cb -0.15 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 2a3k s LEU 251 CO -0.03 -0.43 0.77 0.12 -0.29 0.00 0.00 176.35 176.49 2a3k s PHE 252 N 1.35 3.41 -0.52 5.38 5.36 0.91 -1.23 117.98 132.64 2a3k s PHE 252 Ca 0.01 1.16 0.05 0.00 -0.96 0.00 0.00 56.93 57.20 2a3k s PHE 252 Cb -0.21 -2.95 0.13 0.00 -0.34 0.00 0.00 43.02 39.64 2a3k s PHE 252 CO 0.01 -0.22 1.02 -1.13 -1.46 0.00 0.00 175.22 173.45 2a3k n SER 253 N 5.16 2.23 -2.38 6.13 3.41 0.61 -0.66 113.62 128.12 2a3k n SER 253 Ca 0.03 -1.82 -0.27 0.00 -0.26 0.00 0.00 58.87 56.54 2a3k n SER 253 Cb 0.49 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2a3k n SER 253 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3k n ALA 254 N 0.08 5.21 -3.66 7.33 0.00 -1.19 -2.20 120.51 126.09 2a3k n ALA 254 Ca 0.05 -4.14 -0.30 0.00 0.00 0.00 0.00 53.44 49.06 2a3k n ALA 254 Cb 0.29 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 18.96 2a3k n ALA 254 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2a3k s TRP 255 N -3.61 1.20 0.40 0.00 -0.11 -0.28 -4.38 118.94 112.16 2a3k s TRP 255 Ca 0.50 -1.43 -0.25 0.00 1.22 0.00 0.00 56.10 56.14 2a3k s TRP 255 Cb 0.41 -1.41 -0.08 0.00 -1.50 0.00 0.00 33.47 30.88 2a3k s TRP 255 CO -0.14 -0.86 1.13 -2.14 -4.62 0.00 0.00 176.95 170.32 2a3k s PRO 256 N 1.77 4.08 0.33 5.86 0.02 -1.26 -3.65 135.00 142.15 2a3k s PRO 256 Ca 0.10 1.73 -0.28 0.00 0.02 0.00 0.00 61.00 62.57 2a3k s PRO 256 Cb -0.17 -2.63 -0.12 0.00 0.02 0.00 0.00 34.50 31.60 2a3k s PRO 256 CO -0.29 -0.27 1.32 -3.47 -0.33 0.00 0.00 177.00 173.96 2a3k n ASP 257 N 0.02 2.83 -0.45 2.53 -0.08 -1.26 -2.26 116.55 117.88 2a3k n ASP 257 Ca 0.05 1.20 -0.06 0.00 -1.51 0.00 0.00 54.79 54.47 2a3k n ASP 257 Cb 0.47 -1.49 -0.02 0.00 2.34 0.00 0.00 41.12 42.42 2a3k n ASP 257 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2a3k n HIS 258 N 0.57 0.00 -4.02 -0.67 8.25 -1.26 -4.93 115.22 113.16 2a3k n HIS 258 Ca 0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.50 2a3k n HIS 258 Cb 0.36 -1.75 -0.00 0.00 1.12 0.00 0.00 29.99 29.72 2a3k n HIS 258 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2a3k n GLN 259 N -1.44 0.77 -4.39 -0.41 -0.06 -0.96 -4.90 117.38 105.99 2a3k n GLN 259 Ca -0.06 -0.16 -0.20 0.00 -2.00 0.00 0.00 57.00 54.58 2a3k n GLN 259 Cb 0.36 0.10 -0.10 0.00 -4.06 0.00 0.00 30.24 26.54 2a3k n GLN 259 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2a3k s THR 260 N -1.68 1.58 0.78 1.69 -4.23 -1.26 -4.82 115.64 107.69 2a3k s THR 260 Ca 0.01 -2.13 -0.13 0.00 -1.18 0.00 0.00 61.69 58.26 2a3k s THR 260 Cb 0.00 -2.32 0.07 0.00 1.34 0.00 0.00 72.50 71.59 2a3k s THR 260 CO 0.01 -0.39 1.15 -2.84 -0.54 0.00 0.00 174.62 172.01 2a3k s PRO 261 N -3.72 1.95 0.38 3.99 0.02 -1.26 -4.62 135.00 131.74 2a3k s PRO 261 Ca 0.27 1.51 0.12 0.00 0.02 0.00 0.00 61.00 62.92 2a3k s PRO 261 Cb 0.03 -1.84 0.75 0.00 0.02 0.00 0.00 34.50 33.47 2a3k s PRO 261 CO 0.10 -1.92 1.85 0.93 -0.33 0.00 0.00 177.00 177.63 2a3k h GLU 262 N -0.88 0.04 -4.87 5.54 5.08 -2.02 -3.45 114.58 114.03 2a3k h GLU 262 Ca -0.45 -0.01 -0.44 0.00 -1.00 0.00 0.00 59.36 57.46 2a3k h GLU 262 Cb 1.26 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.38 2a3k h GLU 262 CO 0.48 0.36 -0.52 -1.54 -1.00 0.00 0.00 179.01 176.79 2a3k s SER 263 N -6.94 1.55 -0.03 1.42 1.04 -1.26 -5.10 113.70 104.39 2a3k s SER 263 Ca -0.03 -1.66 0.13 0.00 0.48 0.00 0.00 55.95 54.86 2a3k s SER 263 Cb 0.15 0.50 -0.20 0.00 0.10 0.00 0.00 66.02 66.57 2a3k s SER 263 CO 0.72 -0.98 0.26 0.00 0.98 0.00 0.00 173.24 174.22 2a3k n ALA 264 N -0.60 2.42 0.11 5.32 0.00 -1.26 -4.65 120.51 121.85 2a3k n ALA 264 Ca 0.04 -0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 2a3k n ALA 264 Cb 0.64 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 2a3k n ALA 264 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2a3k h GLY 265 N 2.36 -0.76 0.54 0.00 0.00 -1.98 -1.90 103.07 101.32 2a3k h GLY 265 Ca -0.03 0.46 0.16 0.00 0.00 0.00 0.00 47.33 47.93 2a3k h GLY 265 CO 0.00 -0.26 0.55 -2.55 0.00 0.00 0.00 176.54 174.27 2a3k h PRO 266 N -0.62 0.47 -0.65 4.80 0.11 -1.95 -0.89 132.00 133.28 2a3k h PRO 266 Ca 0.03 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2a3k h PRO 266 Cb 0.65 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.62 2a3k h PRO 266 CO -0.23 0.31 0.21 1.25 -0.21 0.00 0.00 178.00 179.33 2a3k h LEU 267 N 0.49 0.92 -0.46 2.35 5.85 -1.64 -2.32 115.31 120.51 2a3k h LEU 267 Ca 0.42 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.80 2a3k h LEU 267 Cb 0.90 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2a3k h LEU 267 CO -0.16 0.86 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.08 2a3k h LEU 268 N 0.96 0.53 -1.32 2.25 3.38 -0.52 -2.25 115.31 118.35 2a3k h LEU 268 Ca 0.21 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2a3k h LEU 268 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2a3k h LEU 268 CO -0.01 1.04 0.18 0.03 0.09 0.00 0.00 178.44 179.77 2a3k h ARG 269 N 0.33 0.64 -0.38 1.13 3.08 -1.18 -0.78 114.38 117.23 2a3k h ARG 269 Ca -0.02 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 2a3k h ARG 269 Cb 1.21 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2a3k h ARG 269 CO 0.12 0.54 -0.35 1.25 -1.07 0.00 0.00 179.97 180.46 2a3k h LEU 270 N 0.64 0.93 -0.52 3.04 5.85 -1.14 -1.04 115.31 123.07 2a3k h LEU 270 Ca 0.16 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 2a3k h LEU 270 Cb 0.14 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2a3k h LEU 270 CO -0.01 1.18 0.14 0.58 -0.34 0.00 0.00 178.44 179.99 2a3k h VAL 271 N 0.73 1.24 -0.21 1.05 2.07 -1.02 -1.55 116.25 118.55 2a3k h VAL 271 Ca 0.07 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2a3k h VAL 271 Cb 0.92 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2a3k h VAL 271 CO 0.08 0.30 -0.05 0.00 0.02 0.00 0.00 177.57 177.93 2a3k h ALA 272 N 1.01 1.53 -0.30 1.67 0.00 -0.93 -1.42 119.26 120.82 2a3k h ALA 272 Ca 0.16 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2a3k h ALA 272 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2a3k h ALA 272 CO -0.00 0.34 -0.22 1.49 0.00 0.00 0.00 179.25 180.86 2a3k h GLU 273 N 0.31 0.57 0.00 0.00 4.57 -0.78 -2.81 114.58 116.44 2a3k h GLU 273 Ca 0.07 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 2a3k h GLU 273 Cb 0.29 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2a3k h GLU 273 CO 0.01 0.75 0.00 0.28 -1.18 0.00 0.00 179.01 178.87 2a3k n VAL 274 N -4.13 0.98 -1.75 0.32 0.31 -0.54 -3.45 118.33 110.07 2a3k n VAL 274 Ca -0.00 0.35 -0.35 0.00 -0.01 0.00 0.00 64.34 64.33 2a3k n VAL 274 Cb 0.40 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 2a3k n VAL 274 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2a3k n GLU 275 N -2.06 2.61 -1.82 5.55 4.71 -1.06 -5.11 120.64 123.45 2a3k n GLU 275 Ca 0.02 -3.05 -0.01 0.00 -0.01 0.00 0.00 57.16 54.11 2a3k n GLU 275 Cb 0.17 -2.22 0.02 0.00 -1.01 0.00 0.00 31.44 28.40 2a3k n GLU 275 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2a3k n GLU 276 N 0.02 0.58 -0.24 3.49 1.02 -1.22 -5.06 120.64 119.23 2a3k n GLU 276 Ca 0.52 -1.88 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 2a3k n GLU 276 Cb 0.36 -0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 2a3k n GLU 276 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a3k n GLY 285 N -0.21 0.00 3.73 0.62 0.00 -1.26 -5.09 105.19 102.99 2a3k n GLY 285 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2a3k n GLY 285 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a3k s PRO 286 N -1.56 2.32 -0.36 1.61 0.02 -1.26 -4.72 135.00 131.05 2a3k s PRO 286 Ca 0.00 1.72 -0.17 0.00 0.02 0.00 0.00 61.00 62.57 2a3k s PRO 286 Cb 0.00 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.66 2a3k s PRO 286 CO 0.00 -1.69 0.45 0.42 -0.33 0.00 0.00 177.00 175.85 2a3k s ILE 287 N -1.98 5.08 0.05 2.83 1.01 -0.08 -4.29 121.20 123.82 2a3k s ILE 287 Ca 0.74 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 61.18 2a3k s ILE 287 Cb -0.28 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.20 2a3k s ILE 287 CO 0.43 -0.22 1.24 -0.69 0.00 0.00 0.00 174.94 175.71 2a3k s VAL 288 N 2.22 3.92 -0.04 2.92 1.01 -0.40 -1.18 120.40 128.84 2a3k s VAL 288 Ca 0.15 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2a3k s VAL 288 Cb -0.16 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2a3k s VAL 288 CO 0.13 0.08 -0.12 -0.69 0.00 0.00 0.00 175.10 174.51 2a3k s VAL 289 N 1.31 1.01 0.06 2.92 1.01 0.17 -0.34 120.40 126.54 2a3k s VAL 289 Ca 0.60 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 2a3k s VAL 289 Cb -0.30 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.20 2a3k s VAL 289 CO 0.28 0.31 0.33 -1.38 0.00 0.00 0.00 175.10 174.65 2a3k s HIS 290 N 0.33 -0.14 0.28 5.22 -3.43 -0.59 -2.46 115.29 114.51 2a3k s HIS 290 Ca -0.07 -0.03 -0.13 0.00 -0.80 0.00 0.00 55.06 54.04 2a3k s HIS 290 Cb -0.12 0.14 0.01 0.00 -1.43 0.00 0.00 32.58 31.18 2a3k s HIS 290 CO 0.02 -0.55 0.55 0.00 -2.00 0.00 0.00 174.74 172.75 2a3k n SER 292 N -0.68 -0.87 -0.01 0.00 2.88 -1.26 -1.65 113.62 112.03 2a3k n SER 292 Ca -0.02 1.47 -0.12 0.00 -1.33 0.00 0.00 58.87 58.87 2a3k n SER 292 Cb 0.61 -0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 63.74 2a3k n SER 292 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2a3k h ALA 293 N 0.39 0.66 0.00 -1.46 0.00 -1.94 -3.17 119.26 113.75 2a3k h ALA 293 Ca 0.13 -1.43 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2a3k h ALA 293 Cb 0.34 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2a3k h ALA 293 CO -0.77 1.50 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2a3k n GLY 294 N 1.68 1.06 1.50 0.00 0.00 -0.66 -4.20 105.19 104.57 2a3k n GLY 294 Ca -0.21 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2a3k n GLY 294 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2a3k n ILE 295 N -2.65 0.00 0.00 -0.61 -5.35 -1.26 -4.45 119.36 105.04 2a3k n ILE 295 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2a3k n ILE 295 Cb 0.25 -0.66 0.00 0.00 -1.74 0.00 0.00 39.64 37.49 2a3k n ILE 295 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2a3k n GLY 296 N 1.89 -1.43 0.27 3.28 0.00 -1.26 -0.42 105.19 107.51 2a3k n GLY 296 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2a3k n GLY 296 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a3k h ARG 297 N 0.00 0.90 -0.97 1.61 3.08 -1.94 -1.59 114.38 115.47 2a3k h ARG 297 Ca 0.00 -0.25 0.16 0.00 0.07 0.00 0.00 59.98 59.96 2a3k h ARG 297 Cb 0.00 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 29.86 2a3k h ARG 297 CO 0.00 0.88 0.61 1.15 -1.07 0.00 0.00 179.97 181.54 2a3k h THR 298 N 0.79 0.79 -0.43 2.04 2.02 -1.87 0.38 112.91 116.63 2a3k h THR 298 Ca 0.16 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 2a3k h THR 298 Cb 0.43 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2a3k h THR 298 CO 0.01 0.14 -0.31 1.23 0.37 0.00 0.00 175.52 176.96 2a3k h GLY 299 N 0.76 1.05 1.08 2.16 0.00 -0.61 -2.79 103.07 104.73 2a3k h GLY 299 Ca 0.52 -1.01 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 2a3k h GLY 299 CO -0.28 0.91 -0.18 0.00 0.00 0.00 0.00 176.54 176.99 2a3k h PHE 301 N 0.82 -0.18 -0.63 0.00 3.57 -0.99 -1.96 116.94 117.58 2a3k h PHE 301 Ca 0.11 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 2a3k h PHE 301 Cb 0.75 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 2a3k h PHE 301 CO 0.05 0.02 0.20 0.82 -2.23 0.00 0.00 178.31 177.17 2a3k h ILE 302 N -0.35 1.25 0.00 1.41 2.04 -1.49 -1.29 117.51 119.07 2a3k h ILE 302 Ca -0.02 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 2a3k h ILE 302 Cb 0.28 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2a3k h ILE 302 CO 0.03 0.32 -0.12 0.00 0.00 0.00 0.00 178.15 178.39 2a3k h ALA 303 N 1.07 1.50 -0.15 1.87 0.00 -1.20 -1.87 119.26 120.48 2a3k h ALA 303 Ca 0.20 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2a3k h ALA 303 Cb 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2a3k h ALA 303 CO -0.01 0.15 -0.59 1.15 0.00 0.00 0.00 179.25 179.96 2a3k h THR 304 N 0.00 1.32 0.65 0.00 2.02 -0.46 -1.52 112.91 114.92 2a3k h THR 304 Ca -0.00 -1.83 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 2a3k h THR 304 Cb 0.27 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2a3k h THR 304 CO 0.02 0.57 -0.38 0.03 0.37 0.00 0.00 175.52 176.13 2a3k h ARG 305 N 0.35 -0.92 -0.69 6.66 2.47 -0.55 -1.12 114.38 120.58 2a3k h ARG 305 Ca -0.03 0.06 0.13 0.00 -1.26 0.00 0.00 59.98 58.89 2a3k h ARG 305 Cb 1.22 0.21 -0.10 0.00 -1.65 0.00 0.00 29.97 29.65 2a3k h ARG 305 CO 0.12 -0.61 0.20 0.82 0.56 0.00 0.00 179.97 181.06 2a3k h ILE 306 N -0.95 0.61 -0.53 2.04 2.04 -1.45 0.19 117.51 119.46 2a3k h ILE 306 Ca -0.09 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.72 2a3k h ILE 306 Cb 0.76 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2a3k h ILE 306 CO 0.10 0.06 0.24 1.23 0.00 0.00 0.00 178.15 179.78 2a3k h GLY 307 N 0.33 0.74 0.96 5.37 0.00 -1.22 0.17 103.07 109.41 2a3k h GLY 307 Ca 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 2a3k h GLY 307 CO -0.43 0.06 0.21 0.00 0.00 0.00 0.00 176.54 176.38 2a3k h GLN 309 N 0.56 0.60 -0.24 0.00 4.20 0.04 -0.04 115.11 120.23 2a3k h GLN 309 Ca 0.15 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2a3k h GLN 309 Cb 0.12 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2a3k h GLN 309 CO -0.02 0.40 0.12 1.96 -0.67 0.00 0.00 178.83 180.62 2a3k h GLN 310 N 0.62 0.34 -0.50 1.46 4.20 -0.36 -1.30 115.11 119.58 2a3k h GLN 310 Ca 0.33 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 2a3k h GLN 310 Cb 0.31 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2a3k h GLN 310 CO -0.24 0.33 0.03 -0.07 -0.67 0.00 0.00 178.83 178.22 2a3k h LEU 311 N 0.26 0.83 -0.35 1.46 3.38 -0.79 0.03 115.31 120.14 2a3k h LEU 311 Ca 0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2a3k h LEU 311 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2a3k h LEU 311 CO -0.01 0.92 0.19 0.50 0.09 0.00 0.00 178.44 180.13 2a3k h LYS 312 N 0.72 0.49 -0.03 1.13 3.64 -0.93 -1.80 116.57 119.79 2a3k h LYS 312 Ca 0.14 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2a3k h LYS 312 Cb 0.47 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2a3k h LYS 312 CO 0.02 0.41 -0.14 0.00 -2.27 0.00 0.00 179.45 177.47 2a3k h ALA 313 N 1.05 0.06 0.00 5.00 0.00 -0.98 -3.41 119.26 120.98 2a3k h ALA 313 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2a3k h ALA 313 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2a3k h ALA 313 CO -0.02 -0.02 -0.56 0.54 0.00 0.00 0.00 179.25 179.19 2a3k n ARG 314 N -4.62 3.46 -2.08 0.00 1.74 -0.02 -5.02 116.66 110.12 2a3k n ARG 314 Ca -0.09 -0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 2a3k n ARG 314 Cb 0.40 -0.81 -0.01 0.00 -1.02 0.00 0.00 32.46 31.02 2a3k n ARG 314 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a3k n GLY 315 N 1.64 0.10 3.25 -0.13 0.00 -0.67 -5.01 105.19 104.36 2a3k n GLY 315 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 2a3k n GLY 315 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2a3k s GLU 316 N -4.30 0.87 -0.08 1.61 -1.05 -1.26 -2.08 118.70 112.42 2a3k s GLU 316 Ca 0.00 -0.70 -0.06 0.00 -0.15 0.00 0.00 54.97 54.06 2a3k s GLU 316 Cb 0.00 0.37 0.02 0.00 -0.44 0.00 0.00 34.13 34.08 2a3k s GLU 316 CO 0.00 -0.29 0.20 0.54 0.95 0.00 0.00 175.26 176.65 2a3k s VAL 317 N -3.25 -0.01 -0.53 1.83 0.11 -0.51 -3.12 120.40 114.93 2a3k s VAL 317 Ca -0.00 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2a3k s VAL 317 Cb 0.02 -0.28 0.14 0.00 -1.53 0.00 0.00 36.38 34.72 2a3k s VAL 317 CO -0.08 0.01 0.31 -0.62 -3.33 0.00 0.00 175.10 171.39 2a3k s ASP 318 N 0.25 4.90 -0.05 3.54 3.68 -1.26 0.41 116.67 128.14 2a3k s ASP 318 Ca -0.01 -2.71 -0.25 0.00 2.13 0.00 0.00 52.55 51.71 2a3k s ASP 318 Cb -0.03 -1.76 -0.19 0.00 -1.45 0.00 0.00 42.92 39.49 2a3k s ASP 318 CO -0.01 -0.35 1.07 0.40 0.13 0.00 0.00 175.17 176.41 2a3k h ILE 319 N 5.65 1.24 -0.99 4.11 2.04 -1.98 -1.87 117.51 125.71 2a3k h ILE 319 Ca -0.06 -1.28 0.12 0.00 1.00 0.00 0.00 64.86 64.64 2a3k h ILE 319 Cb 0.95 2.05 -0.14 0.00 -0.74 0.00 0.00 36.82 38.94 2a3k h ILE 319 CO 0.68 0.31 -0.49 0.25 0.00 0.00 0.00 178.15 178.90 2a3k h LEU 320 N -0.69 -1.80 -1.01 1.44 5.85 -1.93 -0.75 115.31 116.42 2a3k h LEU 320 Ca -0.01 0.32 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2a3k h LEU 320 Cb 0.57 0.86 -0.06 0.00 0.37 0.00 0.00 40.66 42.40 2a3k h LEU 320 CO 0.01 -0.26 0.66 1.23 -0.34 0.00 0.00 178.44 179.75 2a3k h GLY 321 N -0.00 1.46 1.00 3.75 0.00 -1.75 0.45 103.07 107.97 2a3k h GLY 321 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2a3k h GLY 321 CO -0.96 0.46 0.37 -2.22 0.00 0.00 0.00 176.54 174.18 2a3k h ILE 322 N 1.31 1.15 -0.23 2.60 2.04 -0.35 0.23 117.51 124.24 2a3k h ILE 322 Ca 0.39 -0.27 -0.14 0.00 1.00 0.00 0.00 64.86 65.84 2a3k h ILE 322 Cb -0.05 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2a3k h ILE 322 CO -0.11 0.14 -0.44 0.58 0.00 0.00 0.00 178.15 178.32 2a3k h VAL 323 N 0.75 1.30 -0.60 1.67 2.07 -0.49 -1.91 116.25 119.05 2a3k h VAL 323 Ca 0.20 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 2a3k h VAL 323 Cb -0.08 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 2a3k h VAL 323 CO -0.04 0.51 0.33 0.00 0.02 0.00 0.00 177.57 178.39 2a3k h GLN 325 N 0.81 1.20 -0.18 0.00 4.15 -0.47 -1.75 115.11 118.87 2a3k h GLN 325 Ca 0.21 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 2a3k h GLN 325 Cb 0.03 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 2a3k h GLN 325 CO -0.04 0.90 -0.31 -0.07 -1.93 0.00 0.00 178.83 177.38 2a3k h LEU 326 N 1.20 0.59 -2.02 -2.39 3.38 -1.18 -2.88 115.31 112.01 2a3k h LEU 326 Ca 0.30 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2a3k h LEU 326 Cb 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2a3k h LEU 326 CO -0.04 1.01 0.14 0.03 0.09 0.00 0.00 178.44 179.66 2a3k h ARG 327 N 0.18 0.00 -0.26 1.13 2.47 -1.11 0.51 114.38 117.29 2a3k h ARG 327 Ca 0.01 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 2a3k h ARG 327 Cb 0.90 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 2a3k h ARG 327 CO 0.07 0.00 -0.17 -0.07 0.56 0.00 0.00 179.97 180.36 2a3k h LEU 328 N 0.00 0.45 0.01 3.04 3.38 -1.10 -3.33 115.31 117.76 2a3k h LEU 328 Ca 0.09 -0.13 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 2a3k h LEU 328 Cb 0.36 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2a3k h LEU 328 CO -0.00 0.64 -1.70 0.44 0.09 0.00 0.00 178.44 177.91 2a3k h ASP 329 N 0.42 0.04 -2.92 -0.43 3.45 0.00 -3.47 116.42 113.52 2a3k h ASP 329 Ca 0.07 -0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.38 2a3k h ASP 329 Cb 0.54 -0.01 -0.25 0.00 -0.56 0.00 0.00 39.33 39.05 2a3k h ASP 329 CO 0.04 1.07 -0.25 -0.60 -1.57 0.00 0.00 179.24 177.92 2a3k s ARG 330 N -2.60 0.44 0.36 3.56 3.52 0.04 -4.58 118.95 119.69 2a3k s ARG 330 Ca -0.06 0.97 -0.28 0.00 -0.13 0.00 0.00 55.73 56.24 2a3k s ARG 330 Cb 0.08 0.16 -0.12 0.00 -1.56 0.00 0.00 34.95 33.51 2a3k s ARG 330 CO 0.82 -0.18 1.40 0.41 -0.81 0.00 0.00 175.30 176.94 2a3k n GLY 331 N 4.65 0.93 1.82 8.12 0.00 -1.26 -3.66 105.19 115.79 2a3k n GLY 331 Ca -0.18 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2a3k n GLY 331 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a3k n GLY 332 N 0.61 0.56 3.65 -0.02 0.00 -0.46 -4.87 105.19 104.66 2a3k n GLY 332 Ca 0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 2a3k n GLY 332 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2a3k n MET 333 N -2.87 1.95 -1.71 1.61 0.00 -1.24 -4.07 117.12 110.79 2a3k n MET 333 Ca 0.00 0.70 -0.00 0.00 0.00 0.00 0.00 57.70 58.40 2a3k n MET 333 Cb 0.00 -2.45 -0.00 0.00 0.00 0.00 0.00 33.22 30.77 2a3k n MET 333 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2a3k n ILE 334 N 3.23 -7.97 -0.09 2.02 5.41 0.44 -4.85 119.36 117.55 2a3k n ILE 334 Ca 0.17 1.65 -0.15 0.00 1.00 0.00 0.00 62.75 65.42 2a3k n ILE 334 Cb 0.27 -4.63 -0.09 0.00 -0.71 0.00 0.00 39.64 34.48 2a3k n ILE 334 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 2a3k h GLN 335 N 2.21 0.00 -6.34 0.38 4.15 -1.77 -3.47 115.11 110.28 2a3k h GLN 335 Ca -0.01 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.81 2a3k h GLN 335 Cb 0.02 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.59 2a3k h GLN 335 CO 0.00 0.71 -0.68 0.95 -1.93 0.00 0.00 178.83 177.88 2a3k s THR 336 N -2.25 3.40 0.22 2.39 -4.23 -1.26 -5.03 115.64 108.89 2a3k s THR 336 Ca -0.22 -1.68 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 2a3k s THR 336 Cb 0.03 -2.74 0.16 0.00 1.34 0.00 0.00 72.50 71.30 2a3k s THR 336 CO 0.48 -0.19 1.77 0.00 -0.54 0.00 0.00 174.62 176.14 2a3k h ALA 337 N 2.54 0.91 -0.48 3.99 0.00 -1.96 -2.24 119.26 122.02 2a3k h ALA 337 Ca -0.46 0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.60 2a3k h ALA 337 Cb 1.22 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2a3k h ALA 337 CO 0.57 -0.09 0.05 1.49 0.00 0.00 0.00 179.25 181.26 2a3k h GLU 338 N 0.54 0.16 -0.68 0.00 4.81 -1.98 0.37 114.58 117.80 2a3k h GLU 338 Ca 0.33 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 2a3k h GLU 338 Cb 0.37 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2a3k h GLU 338 CO -0.28 0.11 0.45 1.96 -0.73 0.00 0.00 179.01 180.52 2a3k h GLN 339 N 0.17 0.65 -0.17 1.92 4.20 -1.75 -1.33 115.11 118.80 2a3k h GLN 339 Ca 0.24 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.70 2a3k h GLN 339 Cb 0.35 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.98 2a3k h GLN 339 CO -0.36 0.43 -0.72 -0.92 -0.67 0.00 0.00 178.83 176.59 2a3k h TYR 340 N 0.67 0.98 -0.49 2.96 3.20 -0.73 -2.43 116.97 121.13 2a3k h TYR 340 Ca 0.30 -0.41 0.02 0.00 3.14 0.00 0.00 58.73 61.78 2a3k h TYR 340 Cb 0.30 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2a3k h TYR 340 CO -0.00 1.23 0.32 1.96 -1.64 0.00 0.00 178.16 180.03 2a3k h GLN 341 N 0.52 0.57 0.00 1.82 4.20 -0.50 -2.86 115.11 118.86 2a3k h GLN 341 Ca -0.04 -0.03 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2a3k h GLN 341 Cb 1.33 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2a3k h GLN 341 CO 0.15 0.38 -0.88 0.35 -0.67 0.00 0.00 178.83 178.16 2a3k h PHE 342 N 0.59 0.03 -0.22 2.96 3.57 -1.13 -2.26 116.94 120.47 2a3k h PHE 342 Ca 0.19 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 2a3k h PHE 342 Cb 0.04 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2a3k h PHE 342 CO -0.00 0.88 0.07 1.25 -2.23 0.00 0.00 178.31 178.28 2a3k h LEU 343 N 0.01 0.32 -0.60 0.59 6.46 -1.22 1.14 115.31 122.01 2a3k h LEU 343 Ca -0.01 -0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.60 2a3k h LEU 343 Cb 1.54 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 2a3k h LEU 343 CO 0.12 0.44 0.30 0.45 -0.62 0.00 0.00 178.44 179.13 2a3k h HIS 344 N 0.18 0.55 0.20 1.25 3.86 -1.39 -1.03 115.15 118.76 2a3k h HIS 344 Ca 0.07 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2a3k h HIS 344 Cb 0.24 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2a3k h HIS 344 CO 0.00 0.25 -0.09 1.25 0.86 0.00 0.00 177.93 180.20 2a3k h HIS 345 N 0.57 -0.24 -0.91 2.45 -0.00 -0.78 0.16 115.15 116.38 2a3k h HIS 345 Ca 0.27 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.80 2a3k h HIS 345 Cb 0.20 0.08 -0.08 0.00 -0.00 0.00 0.00 27.41 27.62 2a3k h HIS 345 CO -0.10 -0.14 0.59 1.15 -0.00 0.00 0.00 177.93 179.42 2a3k h THR 346 N -0.27 0.77 0.00 6.26 2.02 0.17 -1.85 112.91 120.01 2a3k h THR 346 Ca -0.03 -0.22 -0.21 0.00 0.77 0.00 0.00 66.41 66.73 2a3k h THR 346 Cb 0.21 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2a3k h THR 346 CO 0.04 0.12 -1.21 -0.07 0.37 0.00 0.00 175.52 174.77 2a3k h LEU 347 N 0.63 0.00 -1.09 2.58 3.38 -0.90 -2.24 115.31 117.67 2a3k h LEU 347 Ca 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 2a3k h LEU 347 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2a3k h LEU 347 CO -0.23 0.84 0.31 0.00 0.09 0.00 0.00 178.44 179.46 2a3k h ALA 348 N 1.16 1.29 -0.46 1.53 0.00 -0.21 -1.78 119.26 120.79 2a3k h ALA 348 Ca -0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2a3k h ALA 348 Cb 1.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2a3k h ALA 348 CO 0.09 0.55 -0.21 1.25 0.00 0.00 0.00 179.25 180.92 2a3k h LEU 349 N 0.95 0.99 -0.64 0.00 5.85 -1.30 -1.96 115.31 119.19 2a3k h LEU 349 Ca 0.23 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2a3k h LEU 349 Cb 0.11 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2a3k h LEU 349 CO -0.03 1.16 0.42 0.22 -0.34 0.00 0.00 178.44 179.87 2a3k h TYR 350 N 0.80 0.82 0.25 1.25 3.20 -1.08 -1.07 116.97 121.15 2a3k h TYR 350 Ca 0.10 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2a3k h TYR 350 Cb 0.79 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2a3k h TYR 350 CO 0.05 0.53 -0.25 0.00 -1.64 0.00 0.00 178.16 176.86 2a3k h ALA 351 N 1.23 -0.51 0.00 1.82 0.00 -1.28 -1.98 119.26 118.54 2a3k h ALA 351 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2a3k h ALA 351 Cb -0.08 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2a3k h ALA 351 CO -0.05 -0.82 -0.03 0.78 0.00 0.00 0.00 179.25 179.13 2a3k h GLY 352 N -0.53 0.00 -1.09 0.00 0.00 -1.00 -2.29 103.07 98.16 2a3k h GLY 352 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2a3k h GLY 352 CO -0.05 0.00 -0.33 0.61 0.00 0.00 0.00 176.54 176.77 2a3k n GLN 353 N -3.80 1.46 -1.73 4.80 10.64 -0.44 -4.95 117.38 123.35 2a3k n GLN 353 Ca -0.03 -1.17 -0.42 0.00 -1.83 0.00 0.00 57.00 53.55 2a3k n GLN 353 Cb 0.12 -1.48 -0.01 0.00 -0.86 0.00 0.00 30.24 28.02 2a3k n GLN 353 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2a3k n LEU 354 N 0.25 4.15 -4.71 2.61 4.77 -0.77 -4.88 117.00 118.42 2a3k n LEU 354 Ca 0.11 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.85 2a3k n LEU 354 Cb 0.49 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2a3k n LEU 354 CO 0.25 -0.08 1.39 -2.65 -1.33 0.00 0.00 177.39 174.96 2a3k n PRO 355 N 1.19 2.72 -0.75 3.23 -0.02 -1.26 -4.97 135.00 135.15 2a3k n PRO 355 Ca 0.06 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2a3k n PRO 355 Cb 0.37 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 2a3k n PRO 355 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2a3k n GLU 356 N 4.39 2.16 -4.28 -0.52 1.02 -1.26 -5.15 120.64 116.99 2a3k n GLU 356 Ca 0.17 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.06 2a3k n GLU 356 Cb 0.35 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.60 2a3k n GLU 356 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2a3k s GLU 357 N -0.12 1.56 0.00 3.49 2.12 -1.26 -5.27 118.70 119.22 2a3k s GLU 357 Ca 0.00 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.01 2a3k s GLU 357 Cb 0.00 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.96 2a3k s GLU 357 CO 0.00 -0.10 0.36 -2.30 -0.54 0.00 0.00 175.26 172.68