#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nhh h HIS -1 N 0.00 0.30 -3.43 7.33 -0.00 -2.12 -3.40 115.15 113.83 1nhh h HIS -1 Ca 0.00 0.01 -0.54 0.00 -0.00 0.00 0.00 60.37 59.83 1nhh h HIS -1 Cb 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.27 1nhh h HIS -1 CO 0.00 0.19 0.15 -1.64 -0.00 0.00 0.00 177.93 176.62 1nhh s MET 1 N -6.17 4.49 0.48 5.26 1.00 -1.26 -5.04 119.30 118.05 1nhh s MET 1 Ca -0.13 1.05 -0.21 0.00 0.00 0.00 0.00 55.69 56.40 1nhh s MET 1 Cb 0.09 -3.34 -0.08 0.00 0.00 0.00 0.00 34.83 31.50 1nhh s MET 1 CO 0.70 0.35 1.08 -1.25 0.00 0.00 0.00 175.02 175.89 1nhh s PRO 2 N -0.28 3.77 0.05 2.03 0.04 -1.26 -4.95 135.00 134.40 1nhh s PRO 2 Ca 0.37 1.50 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 1nhh s PRO 2 Cb -0.21 -2.21 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 1nhh s PRO 2 CO 0.23 -0.48 1.53 0.42 0.04 0.00 0.00 177.00 178.74 1nhh s ILE 3 N -1.81 3.32 -0.00 0.56 1.01 -1.26 -4.96 121.20 118.06 1nhh s ILE 3 Ca 0.66 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 62.02 1nhh s ILE 3 Cb -0.21 -3.49 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 1nhh s ILE 3 CO 0.25 0.00 0.11 -1.58 0.00 0.00 0.00 174.94 173.72 1nhh s GLN 4 N 2.37 0.40 0.08 2.79 0.74 -1.26 -5.12 119.66 119.66 1nhh s GLN 4 Ca 0.69 -0.34 -0.31 0.00 0.05 0.00 0.00 55.36 55.45 1nhh s GLN 4 Cb -0.36 0.16 -0.07 0.00 1.10 0.00 0.00 33.01 33.84 1nhh s GLN 4 CO 0.30 -0.09 1.39 0.08 -0.55 0.00 0.00 175.29 176.42 1nhh s VAL 5 N -1.15 3.43 0.58 1.34 1.01 -1.26 -4.97 120.40 119.38 1nhh s VAL 5 Ca -0.12 0.98 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 1nhh s VAL 5 Cb -0.07 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1nhh s VAL 5 CO 0.01 0.05 1.26 -0.76 0.00 0.00 0.00 175.10 175.66 1nhh s LEU 6 N 1.48 3.71 0.30 3.92 1.43 -1.26 -4.94 118.68 123.33 1nhh s LEU 6 Ca 0.65 2.53 -0.29 0.00 -1.03 0.00 0.00 54.13 55.98 1nhh s LEU 6 Cb -0.35 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.26 1nhh s LEU 6 CO 0.29 -1.64 1.38 -2.84 0.23 0.00 0.00 176.35 173.78 1nhh s PRO 7 N -3.19 4.29 0.21 1.29 0.02 -1.26 -4.77 135.00 131.59 1nhh s PRO 7 Ca 0.76 2.29 -0.16 0.00 0.02 0.00 0.00 61.00 63.91 1nhh s PRO 7 Cb -0.34 -3.08 0.21 0.00 0.02 0.00 0.00 34.50 31.31 1nhh s PRO 7 CO 0.38 -0.32 1.40 -2.30 -0.33 0.00 0.00 177.00 175.83 1nhh n PRO 8 N 1.38 -0.22 -0.22 5.54 -0.02 -1.23 -1.29 135.00 138.95 1nhh n PRO 8 Ca 0.03 1.39 -0.07 0.00 -2.02 0.00 0.00 63.50 62.83 1nhh n PRO 8 Cb 0.41 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1nhh n PRO 8 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1nhh h GLN 9 N 0.00 0.90 -0.62 -0.52 4.15 -1.34 -1.91 115.11 115.78 1nhh h GLN 9 Ca 0.31 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 1nhh h GLN 9 Cb 0.53 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1nhh h GLN 9 CO -0.89 0.74 0.06 1.25 -1.93 0.00 0.00 178.83 178.06 1nhh h LEU 10 N 0.85 1.01 -0.75 -2.39 5.85 -1.48 0.11 115.31 118.51 1nhh h LEU 10 Ca 0.21 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1nhh h LEU 10 Cb 0.15 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1nhh h LEU 10 CO -0.02 1.04 0.31 0.00 -0.34 0.00 0.00 178.44 179.43 1nhh h ALA 11 N 1.01 0.98 -0.46 1.25 0.00 -1.02 -0.30 119.26 120.72 1nhh h ALA 11 Ca 0.18 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1nhh h ALA 11 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nhh h ALA 11 CO 0.02 0.60 -0.10 -0.91 0.00 0.00 0.00 179.25 178.86 1nhh h ASN 12 N 1.09 0.82 -0.38 0.00 2.35 -1.08 -1.75 115.58 116.62 1nhh h ASN 12 Ca 0.25 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1nhh h ASN 12 Cb 0.20 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1nhh h ASN 12 CO -0.02 0.94 -0.05 1.56 -1.65 0.00 0.00 177.43 178.21 1nhh h GLN 13 N 0.75 0.79 -0.71 0.81 4.20 -0.38 0.40 115.11 120.97 1nhh h GLN 13 Ca 0.13 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1nhh h GLN 13 Cb 0.59 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 1nhh h GLN 13 CO 0.04 0.83 0.30 0.82 -0.67 0.00 0.00 178.83 180.15 1nhh h ILE 14 N 0.73 1.24 -0.49 2.54 2.04 -0.68 -1.71 117.51 121.19 1nhh h ILE 14 Ca 0.13 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.14 1nhh h ILE 14 Cb 0.52 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1nhh h ILE 14 CO 0.03 0.30 -0.14 0.00 0.00 0.00 0.00 178.15 178.34 1nhh h ALA 15 N 1.14 0.83 -0.04 1.87 0.00 -0.58 -2.86 119.26 119.63 1nhh h ALA 15 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nhh h ALA 15 Cb 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nhh h ALA 15 CO -0.02 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.84 1nhh h ALA 16 N 1.01 1.85 0.00 0.00 0.00 0.29 -1.35 119.26 121.07 1nhh h ALA 16 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nhh h ALA 16 Cb 0.68 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nhh h ALA 16 CO 0.05 0.11 -0.13 0.78 0.00 0.00 0.00 179.25 180.06 1nhh h GLY 17 N 0.26 0.00 0.70 0.00 0.00 -1.08 0.11 103.07 103.06 1nhh h GLY 17 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1nhh h GLY 17 CO 0.01 0.00 -1.57 1.18 0.00 0.00 0.00 176.54 176.15 1nhh n GLU 18 N -3.40 0.63 -0.01 4.80 1.02 -0.54 -4.53 120.64 118.61 1nhh n GLU 18 Ca -0.01 0.11 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 1nhh n GLU 18 Cb 0.32 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 1nhh n GLU 18 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1nhh n VAL 19 N -2.74 0.12 -3.91 2.62 3.14 -1.00 -4.60 118.33 111.96 1nhh n VAL 19 Ca -0.10 -0.21 -0.31 0.00 -2.96 0.00 0.00 64.34 60.75 1nhh n VAL 19 Cb 0.80 0.05 -0.13 0.00 -1.06 0.00 0.00 33.84 33.50 1nhh n VAL 19 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1nhh s VAL 20 N -2.46 2.78 -0.11 1.55 1.01 0.38 -4.88 120.40 118.68 1nhh s VAL 20 Ca -0.03 -3.10 -0.21 0.00 0.00 0.00 0.00 61.98 58.64 1nhh s VAL 20 Cb 0.04 -2.91 -0.18 0.00 0.00 0.00 0.00 36.38 33.33 1nhh s VAL 20 CO 0.32 -0.79 0.66 -0.08 0.00 0.00 0.00 175.10 175.21 1nhh h GLU 21 N 6.78 -0.04 0.00 2.72 4.81 -1.83 -3.41 114.58 123.60 1nhh h GLU 21 Ca -0.06 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.69 1nhh h GLU 21 Cb 0.92 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.19 1nhh h GLU 21 CO 0.67 0.62 -0.46 2.89 -0.73 0.00 0.00 179.01 182.01 1nhh n ARG 22 N -4.72 0.44 -0.33 1.92 1.85 -1.26 -5.01 116.66 109.54 1nhh n ARG 22 Ca -0.07 -3.38 0.12 0.00 -1.00 0.00 0.00 57.85 53.52 1nhh n ARG 22 Cb 0.33 2.80 0.33 0.00 -1.05 0.00 0.00 32.46 34.86 1nhh n ARG 22 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 1nhh h PRO 23 N 0.00 0.76 -0.95 2.89 0.11 -1.91 0.96 132.00 133.85 1nhh h PRO 23 Ca -0.24 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.91 1nhh h PRO 23 Cb 1.23 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1nhh h PRO 23 CO 0.35 0.50 0.61 0.00 -0.21 0.00 0.00 178.00 179.25 1nhh h ALA 24 N 1.61 1.52 -0.69 -0.75 0.00 -1.88 -0.31 119.26 118.76 1nhh h ALA 24 Ca 0.53 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.43 1nhh h ALA 24 Cb 0.80 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1nhh h ALA 24 CO -0.31 0.30 0.41 0.77 0.00 0.00 0.00 179.25 180.42 1nhh h SER 25 N 1.02 0.82 -0.26 0.00 0.02 -1.18 0.28 113.55 114.24 1nhh h SER 25 Ca 0.43 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 1nhh h SER 25 Cb 0.31 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1nhh h SER 25 CO -0.19 0.63 -0.15 0.58 -1.14 0.00 0.00 176.83 176.57 1nhh h VAL 26 N 0.95 1.30 -0.75 2.27 2.07 -0.89 -2.54 116.25 118.66 1nhh h VAL 26 Ca 0.25 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1nhh h VAL 26 Cb -0.03 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1nhh h VAL 26 CO -0.05 0.39 0.48 0.58 0.02 0.00 0.00 177.57 179.00 1nhh h VAL 27 N 0.29 1.20 0.31 2.57 2.07 -0.68 -2.13 116.25 119.88 1nhh h VAL 27 Ca 0.06 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1nhh h VAL 27 Cb 0.67 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1nhh h VAL 27 CO 0.04 0.20 -0.36 0.50 0.02 0.00 0.00 177.57 177.98 1nhh h LYS 28 N 1.02 -0.68 -0.42 1.57 3.11 -0.84 -0.71 116.57 119.61 1nhh h LYS 28 Ca 0.27 0.05 0.01 0.00 -2.81 0.00 0.00 60.65 58.17 1nhh h LYS 28 Cb -0.09 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.27 1nhh h LYS 28 CO -0.06 -0.46 0.27 0.93 -2.81 0.00 0.00 179.45 177.33 1nhh h GLU 29 N -0.71 0.54 -0.43 1.90 4.39 -1.33 -1.33 114.58 117.62 1nhh h GLU 29 Ca -0.01 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1nhh h GLU 29 Cb 0.66 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1nhh h GLU 29 CO -0.09 0.36 -0.18 -0.07 -1.16 0.00 0.00 179.01 177.87 1nhh h LEU 30 N 0.56 0.83 -0.41 1.33 3.38 -1.31 -1.33 115.31 118.36 1nhh h LEU 30 Ca 0.16 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1nhh h LEU 30 Cb -0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1nhh h LEU 30 CO -0.05 1.00 -0.32 0.58 0.09 0.00 0.00 178.44 179.75 1nhh h VAL 31 N 0.73 1.27 -0.72 1.22 2.07 -0.97 -1.06 116.25 118.78 1nhh h VAL 31 Ca 0.11 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1nhh h VAL 31 Cb 0.70 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1nhh h VAL 31 CO 0.05 0.50 0.44 -0.33 0.02 0.00 0.00 177.57 178.25 1nhh h GLU 32 N 0.76 0.97 -0.34 1.57 5.08 -1.10 0.35 114.58 121.87 1nhh h GLU 32 Ca 0.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nhh h GLU 32 Cb 0.91 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1nhh h GLU 32 CO 0.08 0.67 0.20 -0.91 -1.00 0.00 0.00 179.01 178.06 1nhh h ASN 33 N 0.99 0.42 -0.59 1.42 2.35 -0.85 0.60 115.58 119.92 1nhh h ASN 33 Ca 0.26 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1nhh h ASN 33 Cb -0.05 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1nhh h ASN 33 CO -0.05 0.36 0.38 0.28 -1.65 0.00 0.00 177.43 176.75 1nhh h SER 34 N 0.44 0.68 -0.02 5.81 0.02 -0.05 -1.62 113.55 118.81 1nhh h SER 34 Ca 0.12 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1nhh h SER 34 Cb 0.03 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1nhh h SER 34 CO -0.02 0.51 0.01 -0.07 -1.14 0.00 0.00 176.83 176.12 1nhh h LEU 35 N 0.80 0.03 -2.29 5.07 3.38 0.08 -1.65 115.31 120.73 1nhh h LEU 35 Ca 0.21 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1nhh h LEU 35 Cb -0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nhh h LEU 35 CO -0.05 0.04 0.14 0.44 0.09 0.00 0.00 178.44 179.10 1nhh h ASP 36 N 0.01 0.00 -0.13 -0.43 3.32 -0.54 -0.89 116.42 117.76 1nhh h ASP 36 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nhh h ASP 36 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1nhh h ASP 36 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1nhh n ALA 37 N -2.34 2.49 -1.16 3.45 0.00 -0.64 -4.88 120.51 117.42 1nhh n ALA 37 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 1nhh n ALA 37 Cb 0.25 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 1nhh n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nhh n GLY 38 N 0.69 0.81 3.74 0.00 0.00 -0.34 -1.51 105.19 108.58 1nhh n GLY 38 Ca 0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1nhh n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nhh s ALA 39 N -2.16 2.42 0.00 4.61 0.00 -1.03 -4.69 121.76 120.90 1nhh s ALA 39 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1nhh s ALA 39 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1nhh s ALA 39 CO 0.00 -1.41 0.01 0.25 0.00 0.00 0.00 175.76 174.61 1nhh n THR 40 N -1.91 0.00 -3.82 0.00 -2.24 -1.26 -4.86 114.28 100.19 1nhh n THR 40 Ca 0.14 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.30 1nhh n THR 40 Cb 0.49 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.56 1nhh n THR 40 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1nhh s ARG 41 N -0.86 0.19 -0.08 -0.78 3.52 -1.26 0.51 118.95 120.20 1nhh s ARG 41 Ca 0.00 0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1nhh s ARG 41 Cb 0.00 -0.50 0.02 0.00 -1.56 0.00 0.00 34.95 32.91 1nhh s ARG 41 CO 0.00 -0.20 -0.05 0.42 -0.81 0.00 0.00 175.30 174.65 1nhh s ILE 42 N 1.39 0.76 -0.22 4.11 1.01 0.71 -2.83 121.20 126.12 1nhh s ILE 42 Ca -0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1nhh s ILE 42 Cb -0.13 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 1nhh s ILE 42 CO -0.03 0.31 0.02 -1.81 0.00 0.00 0.00 174.94 173.43 1nhh s ASP 43 N 1.48 4.91 -0.23 3.58 1.01 -0.00 -0.51 116.67 126.90 1nhh s ASP 43 Ca -0.01 -0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.05 1nhh s ASP 43 Cb -0.13 -1.85 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1nhh s ASP 43 CO -0.04 0.03 -0.10 -0.63 0.21 0.00 0.00 175.17 174.64 1nhh s ILE 44 N 1.19 2.53 -0.22 0.77 1.01 0.57 -0.95 121.20 126.10 1nhh s ILE 44 Ca 0.03 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 1nhh s ILE 44 Cb -0.14 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1nhh s ILE 44 CO 0.02 0.23 0.03 -1.81 0.00 0.00 0.00 174.94 173.41 1nhh s ASP 45 N 1.27 4.98 0.04 3.58 1.01 0.58 -0.57 116.67 127.55 1nhh s ASP 45 Ca -0.01 -0.19 0.07 0.00 0.71 0.00 0.00 52.55 53.13 1nhh s ASP 45 Cb -0.17 -1.87 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 1nhh s ASP 45 CO -0.07 0.03 -0.20 -0.63 0.21 0.00 0.00 175.17 174.51 1nhh s ILE 46 N 1.24 2.61 -0.04 0.77 -1.09 0.23 -0.88 121.20 124.03 1nhh s ILE 46 Ca 0.04 -1.21 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 1nhh s ILE 46 Cb -0.15 -2.07 0.02 0.00 -1.58 0.00 0.00 42.46 38.69 1nhh s ILE 46 CO 0.02 0.37 -0.03 -1.61 -1.23 0.00 0.00 174.94 172.46 1nhh s GLU 47 N -1.32 0.68 -1.36 2.79 2.02 -0.74 -0.54 118.70 120.22 1nhh s GLU 47 Ca 0.14 -0.04 -0.03 0.00 0.02 0.00 0.00 54.97 55.06 1nhh s GLU 47 Cb -0.10 -0.77 0.02 0.00 0.10 0.00 0.00 34.13 33.38 1nhh s GLU 47 CO 0.04 -0.12 0.76 0.54 0.02 0.00 0.00 175.26 176.50 1nhh n ARG 48 N 4.20 -5.07 -0.91 1.61 1.74 -1.26 -1.04 116.66 115.93 1nhh n ARG 48 Ca -0.23 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 1nhh n ARG 48 Cb 0.51 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 26.70 1nhh n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nhh n GLY 49 N -1.62 0.48 0.32 -0.13 0.00 -1.26 -2.61 105.19 100.38 1nhh n GLY 49 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1nhh n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nhh n GLY 50 N -1.79 0.44 0.16 -0.02 0.00 -0.21 -4.25 105.19 99.53 1nhh n GLY 50 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1nhh n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nhh h ALA 51 N 0.00 0.88 0.00 4.61 0.00 -1.50 -3.34 119.26 119.91 1nhh h ALA 51 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1nhh h ALA 51 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1nhh h ALA 51 CO 0.00 0.60 -1.02 1.17 0.00 0.00 0.00 179.25 180.00 1nhh n LYS 52 N -3.49 0.51 -3.81 0.00 4.81 -1.10 -3.57 118.16 111.51 1nhh n LYS 52 Ca 0.00 0.46 -0.12 0.00 -0.87 0.00 0.00 58.31 57.77 1nhh n LYS 52 Cb 0.60 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.91 1nhh n LYS 52 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1nhh s LEU 53 N -8.00 1.16 -0.16 3.14 0.20 -1.20 -2.43 118.68 111.38 1nhh s LEU 53 Ca -0.24 0.06 -0.04 0.00 0.69 0.00 0.00 54.13 54.60 1nhh s LEU 53 Cb 0.05 0.96 0.06 0.00 -0.43 0.00 0.00 46.19 46.83 1nhh s LEU 53 CO 0.38 -0.35 0.08 -0.63 -0.29 0.00 0.00 176.35 175.55 1nhh s ILE 54 N -1.06 -0.02 -0.11 6.68 1.01 -0.35 -1.80 121.20 125.55 1nhh s ILE 54 Ca -0.11 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1nhh s ILE 54 Cb -0.05 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.84 1nhh s ILE 54 CO 0.02 -0.23 -0.22 -0.60 0.00 0.00 0.00 174.94 173.92 1nhh s ARG 55 N 2.11 2.87 -0.11 2.79 3.52 -0.06 -0.82 118.95 129.25 1nhh s ARG 55 Ca 0.02 -0.81 -0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1nhh s ARG 55 Cb -0.16 -2.23 0.02 0.00 -1.56 0.00 0.00 34.95 31.02 1nhh s ARG 55 CO -0.08 0.10 -0.08 0.42 -0.81 0.00 0.00 175.30 174.85 1nhh s ILE 56 N 0.54 1.02 -0.07 4.11 1.01 -0.36 -0.31 121.20 127.14 1nhh s ILE 56 Ca -0.15 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1nhh s ILE 56 Cb -0.17 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1nhh s ILE 56 CO 0.05 0.36 -0.22 -0.60 0.00 0.00 0.00 174.94 174.53 1nhh s ARG 57 N 1.59 2.68 0.17 2.79 3.52 -0.12 0.02 118.95 129.60 1nhh s ARG 57 Ca 0.03 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 1nhh s ARG 57 Cb -0.13 -2.25 -0.05 0.00 -1.56 0.00 0.00 34.95 30.96 1nhh s ARG 57 CO -0.07 0.38 -0.06 0.16 -0.81 0.00 0.00 175.30 174.89 1nhh s ASP 58 N -0.14 1.76 -0.55 -2.12 1.47 -0.05 -0.82 116.67 116.22 1nhh s ASP 58 Ca -0.04 -1.09 0.01 0.00 1.18 0.00 0.00 52.55 52.62 1nhh s ASP 58 Cb -0.14 0.01 0.44 0.00 -0.34 0.00 0.00 42.92 42.89 1nhh s ASP 58 CO 0.04 -0.40 1.71 -0.46 0.68 0.00 0.00 175.17 176.73 1nhh n ASN 59 N -0.27 6.62 -2.32 2.11 6.94 -1.13 -2.61 115.26 124.60 1nhh n ASN 59 Ca -0.08 -3.78 -0.04 0.00 -0.02 0.00 0.00 54.58 50.65 1nhh n ASN 59 Cb 0.62 -0.75 0.03 0.00 -2.36 0.00 0.00 39.78 37.32 1nhh n ASN 59 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nhh n GLY 60 N -0.79 -0.78 0.12 4.83 0.00 -1.26 -4.54 105.19 102.75 1nhh n GLY 60 Ca 0.55 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.94 1nhh n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nhh n GLY 62 N -0.28 -1.58 3.27 0.00 0.00 -1.26 -4.44 105.19 100.89 1nhh n GLY 62 Ca 0.02 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1nhh n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nhh s ILE 63 N -1.51 2.14 0.33 -0.61 1.01 -1.26 -4.89 121.20 116.41 1nhh s ILE 63 Ca 0.00 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 1nhh s ILE 63 Cb 0.00 -1.79 -0.11 0.00 0.01 0.00 0.00 42.46 40.57 1nhh s ILE 63 CO 0.00 0.57 1.46 -0.54 0.00 0.00 0.00 174.94 176.42 1nhh s LYS 64 N -0.03 4.20 0.23 2.79 1.02 -1.26 -4.37 119.74 122.32 1nhh s LYS 64 Ca -0.07 2.44 -0.10 0.00 0.02 0.00 0.00 55.97 58.26 1nhh s LYS 64 Cb -0.15 -3.03 0.34 0.00 -0.52 0.00 0.00 37.83 34.47 1nhh s LYS 64 CO 0.05 -0.45 1.62 -0.22 -0.92 0.00 0.00 175.35 175.43 1nhh h LYS 65 N 3.81 0.03 -0.29 1.68 3.64 -1.95 0.66 116.57 124.15 1nhh h LYS 65 Ca -0.49 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1nhh h LYS 65 Cb 1.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1nhh h LYS 65 CO 0.70 0.02 0.00 -0.25 -2.27 0.00 0.00 179.45 177.65 1nhh n ASP 66 N -5.43 0.29 0.00 4.20 8.00 -1.26 -2.95 116.55 119.41 1nhh n ASP 66 Ca 0.11 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1nhh n ASP 66 Cb 0.41 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1nhh n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nhh n GLU 67 N -0.35 -0.33 -0.23 -1.24 1.02 0.20 -4.76 120.64 114.94 1nhh n GLU 67 Ca 0.00 -0.34 -0.06 0.00 -0.02 0.00 0.00 57.16 56.74 1nhh n GLU 67 Cb 0.07 -0.83 0.04 0.00 -0.02 0.00 0.00 31.44 30.70 1nhh n GLU 67 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1nhh h LEU 68 N 0.00 0.79 -0.99 -4.62 3.38 -1.37 0.25 115.31 112.74 1nhh h LEU 68 Ca 0.00 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1nhh h LEU 68 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1nhh h LEU 68 CO 0.00 0.64 -0.01 0.00 0.09 0.00 0.00 178.44 179.15 1nhh h ALA 69 N 1.18 1.17 0.00 1.53 0.00 -1.86 -0.69 119.26 120.59 1nhh h ALA 69 Ca 0.23 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1nhh h ALA 69 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nhh h ALA 69 CO -0.04 0.54 -0.31 -0.07 0.00 0.00 0.00 179.25 179.37 1nhh h LEU 70 N 0.67 0.00 -0.65 0.00 3.38 -1.64 -0.93 115.31 116.13 1nhh h LEU 70 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1nhh h LEU 70 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1nhh h LEU 70 CO 0.02 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.86 1nhh n ALA 71 N -2.35 1.60 0.22 1.53 0.00 0.79 -2.83 120.51 119.47 1nhh n ALA 71 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.53 1nhh n ALA 71 Cb 0.41 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1nhh n ALA 71 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nhh n LEU 72 N -2.13 0.68 -4.83 0.00 4.77 -0.44 -4.64 117.00 110.41 1nhh n LEU 72 Ca 0.02 -0.69 -0.32 0.00 -0.03 0.00 0.00 56.01 54.99 1nhh n LEU 72 Cb 0.20 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1nhh n LEU 72 CO 0.18 0.15 0.70 0.00 -1.33 0.00 0.00 177.39 177.08 1nhh s ALA 73 N -1.07 2.94 0.61 -1.18 0.00 -0.68 -4.07 121.76 118.32 1nhh s ALA 73 Ca 0.03 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.07 1nhh s ALA 73 Cb 0.04 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1nhh s ALA 73 CO 0.15 -0.49 1.12 1.03 0.00 0.00 0.00 175.76 177.56 1nhh s ARG 74 N -4.16 3.01 -1.03 0.00 0.52 -1.26 -3.61 118.95 112.42 1nhh s ARG 74 Ca 0.60 1.47 -0.02 0.00 -0.52 0.00 0.00 55.73 57.27 1nhh s ARG 74 Cb -0.12 -1.97 0.01 0.00 0.52 0.00 0.00 34.95 33.39 1nhh s ARG 74 CO 0.35 -1.09 0.09 0.72 0.02 0.00 0.00 175.30 175.39 1nhh n HIS 75 N -2.00 -1.52 -4.35 -0.53 8.25 -0.25 -4.94 115.22 109.88 1nhh n HIS 75 Ca 0.11 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.32 1nhh n HIS 75 Cb 0.52 -2.71 -0.14 0.00 1.12 0.00 0.00 29.99 28.77 1nhh n HIS 75 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nhh s ALA 76 N -2.64 2.67 0.07 -1.41 0.00 -0.82 -4.89 121.76 114.75 1nhh s ALA 76 Ca 0.07 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 1nhh s ALA 76 Cb -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1nhh s ALA 76 CO 0.09 -0.09 0.21 -0.08 0.00 0.00 0.00 175.76 175.89 1nhh s THR 77 N 0.90 0.12 -0.80 0.00 -1.32 -1.26 -4.36 115.64 108.92 1nhh s THR 77 Ca -0.02 -1.01 0.11 0.00 -1.21 0.00 0.00 61.69 59.56 1nhh s THR 77 Cb -0.15 -1.15 -0.06 0.00 -1.51 0.00 0.00 72.50 69.62 1nhh s THR 77 CO -0.00 -0.56 0.58 -1.54 -2.21 0.00 0.00 174.62 170.89 1nhh n SER 78 N 0.24 0.92 0.10 8.08 3.41 -1.26 -4.66 113.62 120.44 1nhh n SER 78 Ca -0.17 -0.96 -0.14 0.00 -0.26 0.00 0.00 58.87 57.34 1nhh n SER 78 Cb 0.61 0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 65.16 1nhh n SER 78 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nhh h LYS 79 N 0.65 0.22 -4.43 4.33 1.57 -1.94 -3.47 116.57 113.50 1nhh h LYS 79 Ca 0.00 -0.37 -0.19 0.00 -1.87 0.00 0.00 60.65 58.22 1nhh h LYS 79 Cb 0.33 0.14 -0.17 0.00 0.08 0.00 0.00 32.23 32.61 1nhh h LYS 79 CO 0.00 1.18 -0.70 0.96 -0.57 0.00 0.00 179.45 180.32 1nhh s ILE 80 N -2.67 0.45 0.00 1.86 -4.36 -1.26 -4.99 121.20 110.24 1nhh s ILE 80 Ca -0.03 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1nhh s ILE 80 Cb 0.08 -1.30 0.00 0.00 1.25 0.00 0.00 42.46 42.48 1nhh s ILE 80 CO 0.87 -0.80 0.28 0.00 0.24 0.00 0.00 174.94 175.54 1nhh n ALA 81 N 0.42 0.69 -3.79 2.27 0.00 -1.26 -4.84 120.51 114.00 1nhh n ALA 81 Ca -0.16 -0.28 -0.08 0.00 0.00 0.00 0.00 53.44 52.92 1nhh n ALA 81 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1nhh n ALA 81 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nhh s SER 82 N 0.00 -0.09 0.22 0.00 1.04 -1.26 -5.02 113.70 108.60 1nhh s SER 82 Ca 0.00 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 1nhh s SER 82 Cb 0.00 0.79 0.22 0.00 0.10 0.00 0.00 66.02 67.13 1nhh s SER 82 CO 0.00 -1.52 1.63 0.25 0.98 0.00 0.00 173.24 174.59 1nhh h LEU 83 N 2.01 0.71 -0.85 2.42 5.85 -2.00 -2.38 115.31 121.07 1nhh h LEU 83 Ca -0.26 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.25 1nhh h LEU 83 Cb 1.25 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1nhh h LEU 83 CO 0.33 0.94 0.54 0.44 -0.34 0.00 0.00 178.44 180.34 1nhh h ASP 84 N 0.60 0.86 -0.44 1.25 3.32 -1.98 -1.27 116.42 118.75 1nhh h ASP 84 Ca 0.08 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1nhh h ASP 84 Cb 0.76 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1nhh h ASP 84 CO 0.06 0.57 -0.15 0.44 -1.72 0.00 0.00 179.24 178.44 1nhh h ASP 85 N 1.00 0.93 -0.11 6.45 3.32 -1.84 -3.08 116.42 123.10 1nhh h ASP 85 Ca 0.36 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1nhh h ASP 85 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1nhh h ASP 85 CO -0.15 1.07 0.06 0.25 -1.72 0.00 0.00 179.24 178.75 1nhh h LEU 86 N 0.82 0.14 0.00 1.55 5.85 -0.86 -2.39 115.31 120.41 1nhh h LEU 86 Ca 0.12 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1nhh h LEU 86 Cb 0.69 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1nhh h LEU 86 CO 0.05 0.19 0.00 -1.84 -0.34 0.00 0.00 178.44 176.50 1nhh n GLU 87 N -4.96 0.82 -2.70 1.25 0.28 -0.55 -3.02 120.64 111.75 1nhh n GLU 87 Ca -0.05 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.90 1nhh n GLU 87 Cb 0.07 -1.24 0.04 0.00 1.43 0.00 0.00 31.44 31.74 1nhh n GLU 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nhh n ALA 88 N -0.74 3.08 -1.64 -1.84 0.00 -0.93 -3.57 120.51 114.86 1nhh n ALA 88 Ca 0.10 -2.98 -0.51 0.00 0.00 0.00 0.00 53.44 50.04 1nhh n ALA 88 Cb 0.04 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1nhh n ALA 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nhh n ILE 89 N -0.53 0.12 -1.43 0.00 2.08 -1.01 -4.88 119.36 113.71 1nhh n ILE 89 Ca 0.13 -0.02 0.06 0.00 0.56 0.00 0.00 62.75 63.48 1nhh n ILE 89 Cb 0.82 -1.18 0.08 0.00 -0.75 0.00 0.00 39.64 38.61 1nhh n ILE 89 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1nhh n ILE 90 N 3.39 1.13 -3.92 1.39 -5.35 -1.26 -4.82 119.36 109.92 1nhh n ILE 90 Ca 0.20 -1.36 -0.09 0.00 -0.27 0.00 0.00 62.75 61.23 1nhh n ILE 90 Cb 0.22 0.06 -0.09 0.00 -1.74 0.00 0.00 39.64 38.09 1nhh n ILE 90 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1nhh s SER 91 N -2.11 0.19 0.26 7.28 1.04 -1.26 -5.05 113.70 114.04 1nhh s SER 91 Ca 0.19 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1nhh s SER 91 Cb 0.17 0.27 0.35 0.00 0.10 0.00 0.00 66.02 66.91 1nhh s SER 91 CO 0.02 -0.61 1.67 -0.07 0.98 0.00 0.00 173.24 175.23 1nhh h LEU 92 N 3.24 0.47 -9.94 2.42 3.38 -1.97 -3.44 115.31 109.47 1nhh h LEU 92 Ca -0.33 -0.18 -0.53 0.00 0.09 0.00 0.00 57.88 56.92 1nhh h LEU 92 Cb 1.18 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1nhh h LEU 92 CO 0.55 0.78 -0.51 -0.83 0.09 0.00 0.00 178.44 178.52 1nhh s GLY 93 N -4.06 1.58 0.00 0.83 0.00 -1.26 -4.97 107.32 99.44 1nhh s GLY 93 Ca -0.07 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1nhh s GLY 93 CO 0.80 -1.21 0.00 1.97 0.00 0.00 0.00 173.10 174.66 1nhh n PHE 94 N -0.72 0.00 0.11 1.90 1.16 -1.26 -4.82 117.46 113.83 1nhh n PHE 94 Ca -0.08 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.52 1nhh n PHE 94 Cb 0.55 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.42 1nhh n PHE 94 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nhh h ARG 95 N 0.00 0.00 -4.45 3.97 3.08 -1.96 -3.44 114.38 111.59 1nhh h ARG 95 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1nhh h ARG 95 Cb 0.00 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.15 1nhh h ARG 95 CO 0.00 0.41 -0.49 0.41 -1.07 0.00 0.00 179.97 179.23 1nhh n GLY 96 N 1.27 -0.16 0.00 0.04 0.00 -1.26 -4.40 105.19 100.69 1nhh n GLY 96 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1nhh n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nhh n GLU 97 N -3.76 2.93 -0.13 1.61 -0.58 -1.26 -1.09 120.64 118.36 1nhh n GLU 97 Ca -0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1nhh n GLU 97 Cb 0.55 -0.88 -0.01 0.00 -0.57 0.00 0.00 31.44 30.53 1nhh n GLU 97 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nhh h ALA 98 N 0.00 -0.13 -0.40 0.62 0.00 -1.96 -0.07 119.26 117.32 1nhh h ALA 98 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nhh h ALA 98 Cb 0.70 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1nhh h ALA 98 CO 0.00 -0.70 0.16 -0.07 0.00 0.00 0.00 179.25 178.63 1nhh h LEU 99 N -0.23 0.51 -0.24 0.00 3.38 -1.91 -0.67 115.31 116.16 1nhh h LEU 99 Ca 0.19 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1nhh h LEU 99 Cb 0.53 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1nhh h LEU 99 CO -0.56 0.47 -0.37 0.00 0.09 0.00 0.00 178.44 178.07 1nhh h ALA 100 N 1.61 0.37 0.06 1.53 0.00 -1.49 -1.44 119.26 119.90 1nhh h ALA 100 Ca 0.14 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nhh h ALA 100 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nhh h ALA 100 CO -0.01 0.45 -0.03 0.77 0.00 0.00 0.00 179.25 180.42 1nhh h SER 101 N 0.39 -0.07 -0.86 0.00 0.02 -0.73 -2.82 113.55 109.47 1nhh h SER 101 Ca 0.02 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1nhh h SER 101 Cb 0.96 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.48 1nhh h SER 101 CO 0.09 0.16 0.57 0.40 -1.14 0.00 0.00 176.83 176.91 1nhh h ILE 102 N -0.31 1.22 -0.38 3.27 2.04 -1.16 -2.53 117.51 119.67 1nhh h ILE 102 Ca -0.01 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1nhh h ILE 102 Cb 0.27 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 1nhh h ILE 102 CO 0.01 0.21 0.19 0.28 0.00 0.00 0.00 178.15 178.85 1nhh h SER 103 N 1.17 0.46 0.79 1.72 0.02 -1.23 -1.77 113.55 114.70 1nhh h SER 103 Ca 0.32 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1nhh h SER 103 Cb -0.13 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1nhh h SER 103 CO -0.07 0.38 0.00 -1.54 -1.14 0.00 0.00 176.83 174.46 1nhh n SER 104 N -4.43 0.00 -0.72 3.07 3.41 -0.96 -3.43 113.62 110.57 1nhh n SER 104 Ca 0.02 0.45 0.06 0.00 -0.26 0.00 0.00 58.87 59.14 1nhh n SER 104 Cb 0.11 -0.48 0.14 0.00 -0.26 0.00 0.00 64.21 63.72 1nhh n SER 104 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1nhh n VAL 105 N -1.48 1.54 -3.71 -3.33 0.24 -0.68 -4.77 118.33 106.14 1nhh n VAL 105 Ca 0.06 -2.41 0.00 0.00 -2.04 0.00 0.00 64.34 59.96 1nhh n VAL 105 Cb 0.27 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 1nhh n VAL 105 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1nhh n SER 106 N -0.74 -0.11 -4.12 -1.34 3.41 -1.11 0.90 113.62 110.52 1nhh n SER 106 Ca 0.15 -1.04 -0.36 0.00 -0.26 0.00 0.00 58.87 57.36 1nhh n SER 106 Cb 0.79 0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.79 1nhh n SER 106 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1nhh s ARG 107 N -2.00 1.99 -0.12 4.33 1.81 -0.17 -4.80 118.95 119.99 1nhh s ARG 107 Ca 0.02 -1.81 -0.03 0.00 -1.72 0.00 0.00 55.73 52.20 1nhh s ARG 107 Cb -0.00 -3.56 -0.03 0.00 -0.45 0.00 0.00 34.95 30.91 1nhh s ARG 107 CO 0.00 -1.06 -0.03 -1.17 -0.68 0.00 0.00 175.30 172.37 1nhh s LEU 108 N 1.14 3.34 -0.04 2.53 0.20 -1.26 -0.59 118.68 124.00 1nhh s LEU 108 Ca 0.08 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.92 1nhh s LEU 108 Cb -0.23 -1.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.74 1nhh s LEU 108 CO -0.04 0.25 -0.21 -0.89 -0.29 0.00 0.00 176.35 175.17 1nhh s THR 109 N -0.14 1.70 -0.27 3.68 2.01 0.61 -4.46 115.64 118.77 1nhh s THR 109 Ca 0.03 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 1nhh s THR 109 Cb -0.13 -1.44 0.05 0.00 0.01 0.00 0.00 72.50 70.98 1nhh s THR 109 CO 0.02 0.48 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.16 1nhh s LEU 110 N -0.15 3.55 -0.17 4.42 2.96 0.13 -1.29 118.68 128.13 1nhh s LEU 110 Ca -0.01 -1.19 -0.01 0.00 -0.22 0.00 0.00 54.13 52.70 1nhh s LEU 110 Cb -0.12 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1nhh s LEU 110 CO 0.02 -0.20 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.85 1nhh s THR 111 N 1.23 3.06 0.16 3.68 2.01 -0.64 0.14 115.64 125.29 1nhh s THR 111 Ca -0.05 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 1nhh s THR 111 Cb -0.19 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.04 1nhh s THR 111 CO -0.03 0.49 0.52 -0.55 -0.69 0.00 0.00 174.62 174.36 1nhh s SER 112 N 0.82 -0.37 -0.16 3.53 0.15 -0.24 -0.33 113.70 117.10 1nhh s SER 112 Ca -0.04 -0.23 -0.18 0.00 0.70 0.00 0.00 55.95 56.20 1nhh s SER 112 Cb -0.15 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 64.76 1nhh s SER 112 CO 0.01 -0.96 0.50 -0.60 1.20 0.00 0.00 173.24 173.39 1nhh s ARG 113 N -3.80 0.64 0.27 5.44 3.52 -0.90 -1.85 118.95 122.27 1nhh s ARG 113 Ca 0.04 0.58 0.06 0.00 -0.13 0.00 0.00 55.73 56.27 1nhh s ARG 113 Cb -0.00 0.31 -0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1nhh s ARG 113 CO -0.10 -0.10 0.39 0.95 -0.81 0.00 0.00 175.30 175.63 1nhh s THR 114 N -0.02 4.83 0.53 4.11 -4.23 -1.26 -1.46 115.64 118.15 1nhh s THR 114 Ca -0.02 -1.01 0.22 0.00 -1.18 0.00 0.00 61.69 59.70 1nhh s THR 114 Cb -0.03 -3.69 0.30 0.00 1.34 0.00 0.00 72.50 70.41 1nhh s THR 114 CO 0.02 -0.27 2.17 0.00 -0.54 0.00 0.00 174.62 176.00 1nhh h ALA 115 N 1.09 1.72 0.00 3.99 0.00 -1.96 -1.36 119.26 122.74 1nhh h ALA 115 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1nhh h ALA 115 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nhh h ALA 115 CO 0.58 0.04 -0.10 0.39 0.00 0.00 0.00 179.25 180.16 1nhh n GLU 116 N -4.16 0.05 -3.84 0.00 4.71 -1.26 -4.85 120.64 111.29 1nhh n GLU 116 Ca -0.03 0.04 -0.36 0.00 -0.01 0.00 0.00 57.16 56.80 1nhh n GLU 116 Cb 0.11 -1.55 -0.06 0.00 -1.01 0.00 0.00 31.44 28.94 1nhh n GLU 116 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1nhh s GLN 117 N -3.02 3.50 -0.05 3.49 -0.21 -0.52 -4.98 119.66 117.87 1nhh s GLN 117 Ca 0.13 -0.14 0.12 0.00 0.02 0.00 0.00 55.36 55.49 1nhh s GLN 117 Cb 0.18 -3.14 -0.23 0.00 1.00 0.00 0.00 33.01 30.81 1nhh s GLN 117 CO 0.57 0.72 0.65 0.94 -2.12 0.00 0.00 175.29 176.05 1nhh n GLN 118 N 1.51 0.63 -4.11 2.91 -0.06 -1.26 -4.73 117.38 112.27 1nhh n GLN 118 Ca -0.15 0.29 -0.30 0.00 -2.00 0.00 0.00 57.00 54.84 1nhh n GLN 118 Cb 0.54 -1.79 -0.08 0.00 -4.06 0.00 0.00 30.24 24.85 1nhh n GLN 118 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1nhh s GLU 119 N -2.60 2.62 0.30 3.69 0.41 -1.26 -5.09 118.70 116.78 1nhh s GLU 119 Ca -0.05 -0.82 0.07 0.00 -0.41 0.00 0.00 54.97 53.76 1nhh s GLU 119 Cb 0.08 -2.58 -0.02 0.00 -1.78 0.00 0.00 34.13 29.83 1nhh s GLU 119 CO 0.82 0.54 0.33 0.00 -0.49 0.00 0.00 175.26 176.46 1nhh s ALA 120 N -1.35 3.90 -0.01 5.21 0.00 -1.23 -4.78 121.76 123.50 1nhh s ALA 120 Ca 0.27 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 1nhh s ALA 120 Cb -0.12 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1nhh s ALA 120 CO 0.19 0.09 0.22 -1.58 0.00 0.00 0.00 175.76 174.69 1nhh s TRP 121 N -2.18 -0.07 0.15 0.00 0.52 -0.77 -2.24 118.94 114.34 1nhh s TRP 121 Ca 0.39 0.07 0.09 0.00 0.02 0.00 0.00 56.10 56.67 1nhh s TRP 121 Cb -0.08 0.02 -0.04 0.00 -1.15 0.00 0.00 33.47 32.23 1nhh s TRP 121 CO 0.28 -0.33 -0.21 1.14 0.02 0.00 0.00 176.95 177.85 1nhh s GLN 122 N -1.33 1.29 0.05 4.98 -2.07 -0.39 -1.08 119.66 121.10 1nhh s GLN 122 Ca -0.14 -1.36 -0.08 0.00 -1.82 0.00 0.00 55.36 51.96 1nhh s GLN 122 Cb -0.06 -1.48 -0.00 0.00 -1.09 0.00 0.00 33.01 30.38 1nhh s GLN 122 CO 0.03 0.32 0.16 0.00 -1.32 0.00 0.00 175.29 174.48 1nhh s ALA 123 N -1.68 -0.24 -0.25 2.60 0.00 0.12 -1.50 121.76 120.81 1nhh s ALA 123 Ca 0.14 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1nhh s ALA 123 Cb -0.08 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.41 1nhh s ALA 123 CO 0.07 -0.37 0.65 1.52 0.00 0.00 0.00 175.76 177.62 1nhh s TYR 124 N -2.82 -0.75 0.50 0.00 -0.85 -0.92 -0.69 117.35 111.81 1nhh s TYR 124 Ca -0.03 1.78 -0.08 0.00 -0.52 0.00 0.00 57.07 58.22 1nhh s TYR 124 Cb 0.00 0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1nhh s TYR 124 CO -0.05 -0.36 0.84 0.00 -1.52 0.00 0.00 175.55 174.46 1nhh s ALA 125 N 0.51 3.31 -0.14 9.51 0.00 -1.26 -2.29 121.76 131.41 1nhh s ALA 125 Ca -0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1nhh s ALA 125 Cb -0.05 -2.74 0.11 0.00 0.00 0.00 0.00 23.12 20.45 1nhh s ALA 125 CO -0.02 -0.35 0.92 -2.00 0.00 0.00 0.00 175.76 174.31 1nhh s GLU 126 N -4.64 0.71 0.00 0.00 2.12 -0.46 -4.89 118.70 111.54 1nhh s GLU 126 Ca 0.50 0.20 0.00 0.00 0.36 0.00 0.00 54.97 56.03 1nhh s GLU 126 Cb -0.10 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1nhh s GLU 126 CO 0.44 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 175.35 1nhh n GLY 127 N 0.85 -1.47 0.37 -1.50 0.00 -1.26 -0.53 105.19 101.65 1nhh n GLY 127 Ca -0.13 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.47 1nhh n GLY 127 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nhh h ARG 128 N 0.00 0.50 -0.21 1.61 3.08 -2.00 -1.02 114.38 116.34 1nhh h ARG 128 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1nhh h ARG 128 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1nhh h ARG 128 CO 0.00 0.33 0.00 -0.25 -1.07 0.00 0.00 179.97 178.98 1nhh n ASP 129 N -4.49 2.44 -3.77 7.04 9.92 -1.26 -1.05 116.55 125.37 1nhh n ASP 129 Ca 0.13 -1.82 -0.23 0.00 -0.53 0.00 0.00 54.79 52.33 1nhh n ASP 129 Cb 0.42 -0.13 0.02 0.00 -0.64 0.00 0.00 41.12 40.79 1nhh n ASP 129 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1nhh n MET 130 N 0.84 -4.68 -2.35 -1.24 2.81 -0.39 -4.83 117.12 107.28 1nhh n MET 130 Ca 0.17 0.58 -0.41 0.00 -1.81 0.00 0.00 57.70 56.23 1nhh n MET 130 Cb 0.46 -5.10 -0.03 0.00 -0.71 0.00 0.00 33.22 27.84 1nhh n MET 130 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1nhh s ASN 131 N -4.24 7.09 -0.13 7.83 0.01 0.32 -4.29 114.94 121.51 1nhh s ASN 131 Ca 0.08 2.39 -0.07 0.00 -0.71 0.00 0.00 52.86 54.54 1nhh s ASN 131 Cb -0.04 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 1nhh s ASN 131 CO 0.83 -0.31 0.13 -0.69 -1.51 0.00 0.00 177.10 175.55 1nhh s VAL 132 N -0.91 5.43 -0.07 1.60 1.01 -1.26 -1.36 120.40 124.84 1nhh s VAL 132 Ca 0.48 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.68 1nhh s VAL 132 Cb -0.34 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1nhh s VAL 132 CO 0.43 0.58 -0.20 -0.89 0.00 0.00 0.00 175.10 175.03 1nhh s THR 133 N -0.75 2.54 -0.09 3.92 2.01 -0.97 -4.98 115.64 117.33 1nhh s THR 133 Ca 0.13 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1nhh s THR 133 Cb -0.12 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.43 1nhh s THR 133 CO 0.03 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.68 1nhh s VAL 134 N -0.23 1.41 0.09 3.82 1.01 -1.26 -2.17 120.40 123.07 1nhh s VAL 134 Ca -0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1nhh s VAL 134 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1nhh s VAL 134 CO 0.03 0.42 0.04 -1.59 0.00 0.00 0.00 175.10 174.00 1nhh s LYS 135 N 0.73 0.79 0.84 2.72 -2.85 -0.56 -4.98 119.74 116.42 1nhh s LYS 135 Ca -0.12 -1.29 -0.13 0.00 -1.00 0.00 0.00 55.97 53.43 1nhh s LYS 135 Cb -0.16 0.24 0.08 0.00 -2.06 0.00 0.00 37.83 35.94 1nhh s LYS 135 CO 0.03 -0.20 1.09 -2.30 0.10 0.00 0.00 175.35 174.06 1nhh n PRO 136 N -0.01 0.03 -3.74 1.78 -0.02 -1.26 -1.26 135.00 130.52 1nhh n PRO 136 Ca -0.10 0.09 -0.04 0.00 -2.02 0.00 0.00 63.50 61.43 1nhh n PRO 136 Cb 0.62 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1nhh n PRO 136 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nhh s ALA 137 N -2.23 -1.67 -0.13 3.55 0.00 -0.95 -4.55 121.76 115.78 1nhh s ALA 137 Ca 0.70 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.83 1nhh s ALA 137 Cb -0.28 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1nhh s ALA 137 CO 0.54 -1.03 -0.13 0.00 0.00 0.00 0.00 175.76 175.13 1nhh s ALA 138 N -3.26 2.61 -0.21 0.00 0.00 -1.26 -3.47 121.76 116.16 1nhh s ALA 138 Ca 0.12 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 1nhh s ALA 138 Cb -0.01 -1.20 0.15 0.00 0.00 0.00 0.00 23.12 22.05 1nhh s ALA 138 CO 0.02 0.25 1.11 -1.58 0.00 0.00 0.00 175.76 175.56 1nhh s HIS 139 N 0.35 -0.28 0.97 0.00 5.04 -1.26 -5.02 115.29 115.08 1nhh s HIS 139 Ca -0.11 0.53 -0.15 0.00 -1.54 0.00 0.00 55.06 53.79 1nhh s HIS 139 Cb -0.16 0.45 0.18 0.00 0.04 0.00 0.00 32.58 33.09 1nhh s HIS 139 CO 0.06 -0.24 1.19 -2.14 -2.34 0.00 0.00 174.74 171.27 1nhh s PRO 140 N -0.86 0.65 0.04 2.88 0.02 -1.26 -4.79 135.00 131.68 1nhh s PRO 140 Ca 0.02 0.01 -0.30 0.00 0.02 0.00 0.00 61.00 60.74 1nhh s PRO 140 Cb -0.01 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 1nhh s PRO 140 CO -0.03 -2.48 1.80 0.08 -0.33 0.00 0.00 177.00 176.05 1nhh s VAL 141 N -3.43 3.04 -4.95 3.83 1.01 -1.26 -4.22 120.40 114.40 1nhh s VAL 141 Ca 0.68 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1nhh s VAL 141 Cb -0.10 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1nhh s VAL 141 CO 0.53 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1nhh n GLY 142 N 4.27 0.99 3.03 4.51 0.00 -0.53 -4.65 105.19 112.80 1nhh n GLY 142 Ca 0.18 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 1nhh n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nhh s THR 143 N -2.10 0.55 -0.08 2.61 2.01 -1.07 -2.12 115.64 115.44 1nhh s THR 143 Ca 0.00 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1nhh s THR 143 Cb 0.00 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1nhh s THR 143 CO 0.00 -0.12 -0.17 -0.89 -0.69 0.00 0.00 174.62 172.75 1nhh s THR 144 N -0.76 1.53 -0.09 -0.82 2.01 0.55 -0.87 115.64 117.18 1nhh s THR 144 Ca -0.03 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1nhh s THR 144 Cb -0.06 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1nhh s THR 144 CO 0.00 0.44 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.47 1nhh s LEU 145 N 0.47 2.67 -0.19 4.42 2.01 0.10 -1.62 118.68 126.55 1nhh s LEU 145 Ca -0.15 -0.29 -0.01 0.00 0.01 0.00 0.00 54.13 53.70 1nhh s LEU 145 Cb -0.16 -1.57 0.05 0.00 0.01 0.00 0.00 46.19 44.52 1nhh s LEU 145 CO 0.06 0.25 -0.04 -1.61 1.01 0.00 0.00 176.35 176.02 1nhh s GLU 146 N -0.15 1.33 -0.31 1.70 2.02 -0.41 -1.23 118.70 121.65 1nhh s GLU 146 Ca -0.01 -0.63 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 1nhh s GLU 146 Cb -0.14 -2.19 0.04 0.00 0.10 0.00 0.00 34.13 31.95 1nhh s GLU 146 CO 0.03 -0.52 0.04 0.08 0.02 0.00 0.00 175.26 174.92 1nhh s VAL 147 N 1.61 3.38 0.23 2.63 1.01 -0.00 -0.29 120.40 128.97 1nhh s VAL 147 Ca -0.01 -1.19 0.10 0.00 0.00 0.00 0.00 61.98 60.87 1nhh s VAL 147 Cb -0.17 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1nhh s VAL 147 CO -0.07 -0.09 -0.08 -0.76 0.00 0.00 0.00 175.10 174.09 1nhh s LEU 148 N 1.34 2.98 -1.49 3.92 1.02 0.24 -1.21 118.68 125.48 1nhh s LEU 148 Ca -0.03 -0.68 -0.11 0.00 0.02 0.00 0.00 54.13 53.33 1nhh s LEU 148 Cb -0.19 -1.58 0.07 0.00 0.02 0.00 0.00 46.19 44.51 1nhh s LEU 148 CO 0.01 0.06 0.94 0.47 0.02 0.00 0.00 176.35 177.84 1nhh n ASP 149 N -0.39 -4.19 -4.54 2.29 9.92 -1.02 -1.00 116.55 117.61 1nhh n ASP 149 Ca -0.08 -0.78 -0.50 0.00 -0.53 0.00 0.00 54.79 52.90 1nhh n ASP 149 Cb 0.57 -3.96 -0.04 0.00 -0.64 0.00 0.00 41.12 37.05 1nhh n ASP 149 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1nhh n LEU 150 N -4.63 0.88 -0.55 0.64 0.00 -1.23 -0.51 117.00 111.60 1nhh n LEU 150 Ca -0.02 1.14 -0.07 0.00 0.00 0.00 0.00 56.01 57.06 1nhh n LEU 150 Cb 0.56 -1.13 -0.03 0.00 0.00 0.00 0.00 43.42 42.81 1nhh n LEU 150 CO 0.74 -1.65 -0.07 0.49 0.00 0.00 0.00 177.39 176.90 1nhh n PHE 151 N 1.23 0.00 0.09 1.96 3.72 0.26 -4.87 117.46 119.85 1nhh n PHE 151 Ca 0.16 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.64 1nhh n PHE 151 Cb 0.22 -2.34 0.53 0.00 -0.94 0.00 0.00 39.48 36.96 1nhh n PHE 151 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 1nhh h TYR 152 N 0.00 0.28 -0.22 1.38 -0.00 -0.96 -1.51 116.97 115.94 1nhh h TYR 152 Ca -0.15 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.59 1nhh h TYR 152 Cb 1.03 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 37.66 1nhh h TYR 152 CO 0.55 0.17 0.00 0.27 -0.00 0.00 0.00 178.16 179.15 1nhh n ASN 153 N -4.49 2.79 -3.15 0.10 6.94 -1.26 -4.14 115.26 112.05 1nhh n ASN 153 Ca 0.02 -1.89 -0.23 0.00 -0.02 0.00 0.00 54.58 52.46 1nhh n ASN 153 Cb 0.15 -0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 37.39 1nhh n ASN 153 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1nhh n THR 154 N 1.09 0.89 -0.33 5.53 -2.24 -0.58 -4.98 114.28 113.66 1nhh n THR 154 Ca 0.17 -4.82 0.24 0.00 -2.27 0.00 0.00 64.05 57.37 1nhh n THR 154 Cb 0.52 -1.09 0.46 0.00 -2.10 0.00 0.00 70.33 68.13 1nhh n THR 154 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1nhh h PRO 155 N 3.31 0.20 -0.22 -0.78 0.11 -1.68 -0.97 132.00 131.98 1nhh h PRO 155 Ca 0.11 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 1nhh h PRO 155 Cb 0.79 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 1nhh h PRO 155 CO 0.62 0.13 0.07 0.00 -0.21 0.00 0.00 178.00 178.60 1nhh h ALA 156 N 1.89 1.71 0.00 -0.75 0.00 -1.94 -2.25 119.26 117.92 1nhh h ALA 156 Ca 0.73 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.48 1nhh h ALA 156 Cb 1.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1nhh h ALA 156 CO -0.68 0.23 -0.39 0.00 0.00 0.00 0.00 179.25 178.41 1nhh h ARG 157 N 0.30 0.00 0.00 0.00 3.08 -1.50 -3.04 114.38 113.22 1nhh h ARG 157 Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1nhh h ARG 157 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1nhh h ARG 157 CO -0.01 0.39 -0.32 -0.09 -1.07 0.00 0.00 179.97 178.87 1nhh h ARG 158 N 0.00 0.00 0.00 0.04 2.43 -1.44 -2.59 114.38 112.82 1nhh h ARG 158 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1nhh h ARG 158 Cb 0.97 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1nhh h ARG 158 CO 0.05 0.32 -0.03 0.87 -1.51 0.00 0.00 179.97 179.67 1nhh h LYS 159 N 0.00 0.00 -0.00 0.20 1.57 -1.55 0.07 116.57 116.85 1nhh h LYS 159 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nhh h LYS 159 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1nhh h LYS 159 CO 0.04 0.03 -0.01 1.19 -0.57 0.00 0.00 179.45 180.13 1nhh n PHE 160 N -3.19 0.00 -2.21 -1.35 3.72 -0.97 -4.81 117.46 108.64 1nhh n PHE 160 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1nhh n PHE 160 Cb 0.23 -0.30 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 1nhh n PHE 160 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1nhh s LEU 161 N -2.60 4.36 0.00 4.37 1.43 0.01 -5.02 118.68 121.22 1nhh s LEU 161 Ca 0.27 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 1nhh s LEU 161 Cb 0.20 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1nhh s LEU 161 CO 0.47 -0.65 0.00 0.54 0.23 0.00 0.00 176.35 176.94 1nhh n ARG 162 N 4.34 0.74 -1.61 1.70 5.12 -1.26 -5.02 116.66 120.67 1nhh n ARG 162 Ca 0.12 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.70 1nhh n ARG 162 Cb 0.43 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.80 1nhh n ARG 162 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1nhh s THR 163 N -0.20 2.91 0.23 0.55 -4.23 -1.26 -4.75 115.64 108.89 1nhh s THR 163 Ca 0.00 0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 60.87 1nhh s THR 163 Cb 0.00 -2.94 0.18 0.00 1.34 0.00 0.00 72.50 71.08 1nhh s THR 163 CO 0.00 -0.26 1.80 -0.33 -0.54 0.00 0.00 174.62 175.28 1nhh h GLU 164 N -0.15 0.66 -0.34 3.99 5.08 -1.95 0.16 114.58 122.03 1nhh h GLU 164 Ca -0.47 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1nhh h GLU 164 Cb 1.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1nhh h GLU 164 CO 0.52 0.44 0.22 -0.22 -1.00 0.00 0.00 179.01 178.97 1nhh h LYS 165 N 0.68 0.44 -0.30 2.33 3.64 -1.92 0.04 116.57 121.48 1nhh h LYS 165 Ca 0.35 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1nhh h LYS 165 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1nhh h LYS 165 CO -0.24 0.29 0.15 1.15 -2.27 0.00 0.00 179.45 178.53 1nhh h THR 166 N 0.45 1.15 -0.69 1.00 2.02 -1.63 -1.33 112.91 113.88 1nhh h THR 166 Ca 0.13 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1nhh h THR 166 Cb -0.04 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1nhh h THR 166 CO -0.03 0.16 0.38 -0.33 0.37 0.00 0.00 175.52 176.06 1nhh h GLU 167 N 0.35 0.96 -0.25 6.66 4.39 -0.42 -1.53 114.58 124.75 1nhh h GLU 167 Ca 0.10 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1nhh h GLU 167 Cb 0.11 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1nhh h GLU 167 CO -0.01 0.70 -0.32 0.35 -1.16 0.00 0.00 179.01 178.57 1nhh h PHE 168 N 0.97 0.59 -0.55 4.33 3.57 -0.69 -2.51 116.94 122.65 1nhh h PHE 168 Ca 0.25 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1nhh h PHE 168 Cb 0.02 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1nhh h PHE 168 CO 0.01 0.77 0.28 -0.91 -2.23 0.00 0.00 178.31 176.23 1nhh h ASN 169 N 0.44 0.69 0.32 0.41 2.35 -0.24 0.30 115.58 119.84 1nhh h ASN 169 Ca 0.05 -0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1nhh h ASN 169 Cb 0.77 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1nhh h ASN 169 CO 0.06 0.57 -0.52 0.45 -1.65 0.00 0.00 177.43 176.35 1nhh h HIS 170 N 0.77 0.28 -0.07 1.19 3.86 -1.11 -0.37 115.15 119.71 1nhh h HIS 170 Ca 0.20 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1nhh h HIS 170 Cb 0.06 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1nhh h HIS 170 CO 0.01 0.70 -0.04 0.82 0.86 0.00 0.00 177.93 180.28 1nhh h ILE 171 N 0.18 1.34 -1.00 2.45 2.04 -0.87 -1.78 117.51 119.86 1nhh h ILE 171 Ca 0.00 -1.08 0.10 0.00 1.00 0.00 0.00 64.86 64.88 1nhh h ILE 171 Cb 0.98 1.92 -0.08 0.00 -0.74 0.00 0.00 36.82 38.90 1nhh h ILE 171 CO 0.08 0.30 0.64 -0.78 0.00 0.00 0.00 178.15 178.38 1nhh h ASP 172 N -0.25 0.97 -0.37 1.72 3.58 -0.30 -0.97 116.42 120.81 1nhh h ASP 172 Ca 0.01 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 1nhh h ASP 172 Cb 0.49 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1nhh h ASP 172 CO 0.01 0.56 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.82 1nhh h GLU 173 N 1.07 0.67 -0.28 0.28 4.57 -0.95 -2.16 114.58 117.78 1nhh h GLU 173 Ca 0.47 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1nhh h GLU 173 Cb 0.35 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 1nhh h GLU 173 CO -0.23 0.80 0.16 0.82 -1.18 0.00 0.00 179.01 179.38 1nhh h ILE 174 N 0.48 1.03 0.00 2.32 1.08 -0.41 -1.17 117.51 120.84 1nhh h ILE 174 Ca 0.10 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.44 1nhh h ILE 174 Cb 0.52 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1nhh h ILE 174 CO 0.03 0.06 -0.10 0.40 -0.69 0.00 0.00 178.15 177.85 1nhh h ILE 175 N 0.33 0.98 0.49 -0.67 1.08 -1.14 -0.37 117.51 118.20 1nhh h ILE 175 Ca 0.11 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1nhh h ILE 175 Cb 0.00 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 1nhh h ILE 175 CO -0.05 0.10 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.18 1nhh h ARG 176 N 0.00 -0.63 -0.95 2.37 2.43 -0.68 0.13 114.38 117.05 1nhh h ARG 176 Ca -0.00 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 1nhh h ARG 176 Cb 0.19 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 1nhh h ARG 176 CO 0.01 -0.33 0.57 0.00 -1.51 0.00 0.00 179.97 178.72 1nhh h ARG 177 N -0.95 0.87 -0.14 0.20 3.08 -0.63 -1.48 114.38 115.33 1nhh h ARG 177 Ca -0.07 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 59.76 1nhh h ARG 177 Cb 0.60 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1nhh h ARG 177 CO 0.11 0.57 -0.64 0.82 -1.07 0.00 0.00 179.97 179.76 1nhh h ILE 178 N 0.89 1.34 -0.06 2.04 2.04 -1.00 -2.75 117.51 120.02 1nhh h ILE 178 Ca 0.48 -1.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.32 1nhh h ILE 178 Cb 0.51 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1nhh h ILE 178 CO -0.28 0.60 -0.28 0.00 0.00 0.00 0.00 178.15 178.18 1nhh h ALA 179 N 0.92 1.42 0.00 1.87 0.00 0.19 -2.04 119.26 121.62 1nhh h ALA 179 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1nhh h ALA 179 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1nhh h ALA 179 CO 0.12 0.42 -0.50 -0.07 0.00 0.00 0.00 179.25 179.22 1nhh h LEU 180 N 0.10 0.00 -0.28 0.00 3.38 -1.21 -3.20 115.31 114.09 1nhh h LEU 180 Ca 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 1nhh h LEU 180 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1nhh h LEU 180 CO 0.04 0.50 -0.81 0.00 0.09 0.00 0.00 178.44 178.25 1nhh h ALA 181 N 1.50 0.47 -3.05 1.53 0.00 -1.08 -3.40 119.26 115.23 1nhh h ALA 181 Ca -0.00 -0.64 -0.61 0.00 0.00 0.00 0.00 54.91 53.65 1nhh h ALA 181 Cb 1.22 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 1nhh h ALA 181 CO 0.06 0.76 -0.74 1.03 0.00 0.00 0.00 179.25 180.37 1nhh s ARG 182 N -3.52 1.23 0.47 0.00 1.81 -0.90 -4.94 118.95 113.10 1nhh s ARG 182 Ca -0.07 -1.88 0.25 0.00 -1.72 0.00 0.00 55.73 52.32 1nhh s ARG 182 Cb 0.10 -2.35 1.14 0.00 -0.45 0.00 0.00 34.95 33.39 1nhh s ARG 182 CO 0.86 -1.12 1.93 0.74 -0.68 0.00 0.00 175.30 177.02 1nhh h PHE 183 N 6.96 0.00 0.00 -0.53 -1.00 -1.79 -2.92 116.94 117.66 1nhh h PHE 183 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1nhh h PHE 183 Cb 0.94 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.50 1nhh h PHE 183 CO 0.46 0.19 0.00 -0.40 -1.61 0.00 0.00 178.31 176.95 1nhh n ASP 184 N -3.50 0.00 -4.37 2.17 5.75 -1.21 -0.28 116.55 115.11 1nhh n ASP 184 Ca -0.01 -1.41 -0.33 0.00 -0.01 0.00 0.00 54.79 53.04 1nhh n ASP 184 Cb 0.35 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.30 1nhh n ASP 184 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nhh s VAL 185 N -2.00 2.91 0.05 2.12 1.01 -1.11 -4.58 120.40 118.80 1nhh s VAL 185 Ca 0.28 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 1nhh s VAL 185 Cb 0.13 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 1nhh s VAL 185 CO 0.22 0.54 0.94 -0.89 0.00 0.00 0.00 175.10 175.91 1nhh s THR 186 N 0.18 4.70 -0.07 3.92 2.01 0.18 -4.36 115.64 122.20 1nhh s THR 186 Ca -0.09 2.00 -0.01 0.00 0.31 0.00 0.00 61.69 63.91 1nhh s THR 186 Cb -0.15 -4.29 0.03 0.00 0.01 0.00 0.00 72.50 68.09 1nhh s THR 186 CO 0.05 0.25 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.59 1nhh s ILE 187 N 0.44 0.47 -0.12 1.82 1.01 -0.80 -0.21 121.20 123.82 1nhh s ILE 187 Ca 0.48 0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.16 1nhh s ILE 187 Cb -0.22 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1nhh s ILE 187 CO 0.28 0.26 -0.15 0.20 0.00 0.00 0.00 174.94 175.53 1nhh s ASN 188 N 1.64 3.89 -0.11 3.58 0.01 0.33 -0.29 114.94 123.99 1nhh s ASN 188 Ca 0.00 -0.34 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 1nhh s ASN 188 Cb -0.13 -1.49 0.01 0.00 0.41 0.00 0.00 41.25 40.06 1nhh s ASN 188 CO -0.04 0.19 -0.18 -0.22 -1.51 0.00 0.00 177.10 175.34 1nhh s LEU 189 N 0.21 1.86 0.07 0.60 2.96 0.20 -0.32 118.68 124.27 1nhh s LEU 189 Ca -0.09 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1nhh s LEU 189 Cb -0.16 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1nhh s LEU 189 CO 0.05 0.06 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.51 1nhh s SER 190 N 0.80 2.31 -0.08 3.68 0.01 0.26 -0.69 113.70 119.99 1nhh s SER 190 Ca -0.10 -0.60 -0.00 0.00 1.31 0.00 0.00 55.95 56.56 1nhh s SER 190 Cb -0.16 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1nhh s SER 190 CO 0.01 0.07 -0.05 -2.28 0.41 0.00 0.00 173.24 171.40 1nhh s HIS 191 N -1.03 1.03 -1.28 2.43 2.46 0.17 -0.60 115.29 118.46 1nhh s HIS 191 Ca 0.05 -0.40 -0.01 0.00 0.47 0.00 0.00 55.06 55.17 1nhh s HIS 191 Cb -0.09 -0.94 -0.00 0.00 -0.13 0.00 0.00 32.58 31.41 1nhh s HIS 191 CO 0.03 -0.36 0.73 0.09 -2.47 0.00 0.00 174.74 172.76 1nhh n ASN 192 N 4.72 -1.67 0.00 9.88 3.02 0.30 -1.70 115.26 129.82 1nhh n ASN 192 Ca -0.14 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1nhh n ASN 192 Cb 0.50 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 1nhh n ASN 192 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nhh n GLY 193 N -1.54 2.75 3.80 7.41 0.00 -1.26 -4.98 105.19 111.36 1nhh n GLY 193 Ca -0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1nhh n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nhh s LYS 194 N 0.00 3.63 0.12 1.61 1.02 -0.69 -5.07 119.74 120.37 1nhh s LYS 194 Ca 0.00 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 1nhh s LYS 194 Cb 0.00 -3.21 -0.07 0.00 -0.52 0.00 0.00 37.83 34.04 1nhh s LYS 194 CO 0.00 0.60 1.17 -1.50 -0.92 0.00 0.00 175.35 174.70 1nhh s ILE 195 N -0.52 3.90 -0.22 2.17 2.07 -1.26 0.43 121.20 127.77 1nhh s ILE 195 Ca 0.12 1.47 0.03 0.00 -1.41 0.00 0.00 60.65 60.86 1nhh s ILE 195 Cb -0.12 -3.94 -0.15 0.00 0.13 0.00 0.00 42.46 38.38 1nhh s ILE 195 CO 0.02 0.17 -0.17 0.52 -1.91 0.00 0.00 174.94 173.57 1nhh n VAL 196 N 3.24 1.27 -3.44 4.00 0.31 0.13 -4.88 118.33 118.96 1nhh n VAL 196 Ca 0.06 -0.51 -0.12 0.00 -0.01 0.00 0.00 64.34 63.76 1nhh n VAL 196 Cb 0.46 -1.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 1nhh n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nhh s ARG 197 N -2.44 1.24 -0.32 5.55 1.70 -0.81 -5.02 118.95 118.85 1nhh s ARG 197 Ca -0.28 -0.42 0.02 0.00 -0.47 0.00 0.00 55.73 54.57 1nhh s ARG 197 Cb 0.07 0.57 0.15 0.00 -0.57 0.00 0.00 34.95 35.18 1nhh s ARG 197 CO 0.53 -0.53 0.36 1.14 -1.08 0.00 0.00 175.30 175.72 1nhh s GLN 198 N -3.53 0.46 0.00 3.89 -2.07 -1.26 -0.63 119.66 116.53 1nhh s GLN 198 Ca 0.00 -0.33 -0.30 0.00 -1.82 0.00 0.00 55.36 52.91 1nhh s GLN 198 Cb -0.01 -0.59 -0.03 0.00 -1.09 0.00 0.00 33.01 31.29 1nhh s GLN 198 CO -0.11 -1.09 1.04 0.71 -1.32 0.00 0.00 175.29 174.52 1nhh s TYR 199 N 2.07 3.58 -0.01 9.60 2.02 0.60 -4.95 117.35 130.27 1nhh s TYR 199 Ca 0.12 1.59 -0.16 0.00 -0.37 0.00 0.00 57.07 58.25 1nhh s TYR 199 Cb -0.14 -3.20 -0.06 0.00 -0.40 0.00 0.00 41.96 38.16 1nhh s TYR 199 CO -0.22 -0.35 0.45 1.03 -1.57 0.00 0.00 175.55 174.89 1nhh s ARG 200 N 1.15 4.04 0.39 -0.62 0.52 -1.26 -1.91 118.95 121.26 1nhh s ARG 200 Ca 0.53 0.47 -0.26 0.00 -0.52 0.00 0.00 55.73 55.95 1nhh s ARG 200 Cb -0.23 -3.26 -0.09 0.00 0.52 0.00 0.00 34.95 31.89 1nhh s ARG 200 CO 0.27 0.60 1.28 0.00 0.02 0.00 0.00 175.30 177.47 1nhh s ALA 201 N -0.81 3.30 -0.16 2.13 0.00 -1.26 -4.85 121.76 120.11 1nhh s ALA 201 Ca 0.25 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.41 1nhh s ALA 201 Cb -0.17 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.51 1nhh s ALA 201 CO 0.14 -0.74 -0.15 0.08 0.00 0.00 0.00 175.76 175.09 1nhh s VAL 202 N -1.26 1.71 -0.20 0.00 1.01 0.61 -4.96 120.40 117.32 1nhh s VAL 202 Ca 0.55 -0.76 0.22 0.00 0.00 0.00 0.00 61.98 61.99 1nhh s VAL 202 Cb -0.37 -1.61 0.24 0.00 0.00 0.00 0.00 36.38 34.65 1nhh s VAL 202 CO 0.48 0.45 1.64 1.55 0.00 0.00 0.00 175.10 179.22 1nhh h PRO 203 N 8.01 0.00 -3.93 2.72 0.13 -1.91 -3.21 132.00 133.81 1nhh h PRO 203 Ca -0.39 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.23 1nhh h PRO 203 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1nhh h PRO 203 CO 0.55 0.19 0.87 0.94 -0.23 0.00 0.00 178.00 180.32 1nhh n GLN 207 N -3.18 0.00 0.05 0.86 7.27 -1.26 -4.89 117.38 116.22 1nhh n GLN 207 Ca 0.02 0.00 0.13 0.00 0.07 0.00 0.00 57.00 57.22 1nhh n GLN 207 Cb 0.55 -0.98 0.36 0.00 2.41 0.00 0.00 30.24 32.57 1nhh n GLN 207 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1nhh n LYS 208 N 4.92 0.16 -0.32 3.69 5.02 -1.26 -4.00 118.16 126.37 1nhh n LYS 208 Ca 0.36 0.09 0.20 0.00 -2.02 0.00 0.00 58.31 56.94 1nhh n LYS 208 Cb -0.03 -1.64 0.46 0.00 -0.02 0.00 0.00 35.03 33.81 1nhh n LYS 208 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1nhh h GLU 209 N 0.00 0.46 0.73 1.97 4.81 -2.04 -0.16 114.58 120.36 1nhh h GLU 209 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1nhh h GLU 209 Cb 0.64 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1nhh h GLU 209 CO 0.00 0.31 -0.41 0.00 -0.73 0.00 0.00 179.01 178.18 1nhh h ARG 210 N 0.48 -1.02 -0.42 1.92 -0.00 -2.01 -1.62 114.38 111.71 1nhh h ARG 210 Ca 0.58 0.07 0.03 0.00 -0.50 0.00 0.00 59.98 60.16 1nhh h ARG 210 Cb 1.33 0.23 -0.03 0.00 0.00 0.00 0.00 29.97 31.50 1nhh h ARG 210 CO -0.32 -0.68 0.22 -0.09 0.00 0.00 0.00 179.97 179.10 1nhh h ARG 211 N -1.06 0.43 -0.59 0.04 2.43 -1.65 0.21 114.38 114.19 1nhh h ARG 211 Ca -0.10 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1nhh h ARG 211 Cb 0.83 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.18 1nhh h ARG 211 CO 0.13 0.29 -0.04 1.25 -1.51 0.00 0.00 179.97 180.08 1nhh h LEU 212 N 0.44 -0.34 -0.50 3.80 5.85 -1.01 0.72 115.31 124.29 1nhh h LEU 212 Ca 0.17 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.97 1nhh h LEU 212 Cb 0.06 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1nhh h LEU 212 CO -0.11 -0.13 -0.02 1.23 -0.34 0.00 0.00 178.44 179.07 1nhh h GLY 213 N 0.08 0.96 2.00 3.75 0.00 -0.80 0.18 103.07 109.24 1nhh h GLY 213 Ca 0.30 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1nhh h GLY 213 CO -0.53 0.66 -0.12 0.00 0.00 0.00 0.00 176.54 176.55 1nhh h ALA 214 N 0.93 1.32 0.00 3.60 0.00 0.12 0.24 119.26 125.47 1nhh h ALA 214 Ca 0.14 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.61 1nhh h ALA 214 Cb 0.54 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1nhh h ALA 214 CO 0.03 0.15 -1.83 -0.89 0.00 0.00 0.00 179.25 176.71 1nhh n ILE 215 N -3.70 1.53 1.01 0.00 5.41 0.23 -4.63 119.36 119.21 1nhh n ILE 215 Ca -0.02 -0.18 0.11 0.00 1.00 0.00 0.00 62.75 63.66 1nhh n ILE 215 Cb 0.24 -1.99 0.05 0.00 -0.71 0.00 0.00 39.64 37.23 1nhh n ILE 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nhh n GLY 217 N 1.49 2.34 0.23 0.00 0.00 0.85 -4.59 105.19 105.52 1nhh n GLY 217 Ca 0.05 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1nhh n GLY 217 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nhh h THR 218 N 0.00 1.30 -0.61 2.61 2.02 -1.92 -3.14 112.91 113.17 1nhh h THR 218 Ca 0.00 -1.71 0.13 0.00 0.77 0.00 0.00 66.41 65.59 1nhh h THR 218 Cb 0.00 1.64 -0.10 0.00 -1.74 0.00 0.00 68.15 67.95 1nhh h THR 218 CO 0.00 0.55 -0.01 0.00 0.37 0.00 0.00 175.52 176.42 1nhh h ALA 219 N 0.87 0.58 -0.40 6.16 0.00 -1.94 -0.65 119.26 123.88 1nhh h ALA 219 Ca 0.02 0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1nhh h ALA 219 Cb 1.07 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1nhh h ALA 219 CO 0.11 -0.40 0.07 0.35 0.00 0.00 0.00 179.25 179.38 1nhh h PHE 220 N 0.10 0.70 -0.80 0.00 3.57 -1.80 -2.83 116.94 115.88 1nhh h PHE 220 Ca 0.32 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.79 1nhh h PHE 220 Cb 0.51 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1nhh h PHE 220 CO -0.38 0.68 0.52 1.25 -2.23 0.00 0.00 178.31 178.16 1nhh h LEU 221 N 0.51 0.74 -0.52 0.59 5.85 -1.20 0.61 115.31 121.90 1nhh h LEU 221 Ca 0.12 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 1nhh h LEU 221 Cb 0.36 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1nhh h LEU 221 CO 0.01 0.47 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.90 1nhh h GLU 222 N 0.84 0.83 0.00 1.25 5.08 -0.97 -3.17 114.58 118.44 1nhh h GLU 222 Ca 0.35 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1nhh h GLU 222 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nhh h GLU 222 CO -0.13 1.05 -0.75 1.96 -1.00 0.00 0.00 179.01 180.14 1nhh h GLN 223 N 0.70 0.00 -6.51 2.33 1.08 -1.13 -3.48 115.11 108.09 1nhh h GLN 223 Ca 0.07 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.69 1nhh h GLN 223 Cb 0.90 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.39 1nhh h GLN 223 CO 0.08 0.00 0.81 0.00 -0.95 0.00 0.00 178.83 178.77 1nhh n ALA 224 N -1.92 1.41 -3.94 3.87 0.00 0.21 -3.63 120.51 116.52 1nhh n ALA 224 Ca 0.02 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.58 1nhh n ALA 224 Cb 0.47 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 17.41 1nhh n ALA 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nhh s LEU 225 N 0.97 4.04 0.41 0.00 1.43 -0.56 -4.92 118.68 120.04 1nhh s LEU 225 Ca 0.79 -1.62 -0.25 0.00 -1.03 0.00 0.00 54.13 52.01 1nhh s LEU 225 Cb -0.67 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 43.81 1nhh s LEU 225 CO 0.38 -0.28 1.17 0.00 0.23 0.00 0.00 176.35 177.85 1nhh n ALA 226 N 4.44 0.84 -2.36 4.21 0.00 -1.26 -2.18 120.51 124.20 1nhh n ALA 226 Ca -0.08 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1nhh n ALA 226 Cb 0.42 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 1nhh n ALA 226 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nhh s ILE 227 N -1.20 1.96 -0.39 0.00 1.01 0.40 -4.92 121.20 118.06 1nhh s ILE 227 Ca 0.61 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1nhh s ILE 227 Cb -0.54 -1.64 0.16 0.00 0.01 0.00 0.00 42.46 40.44 1nhh s ILE 227 CO 0.58 0.46 0.39 -1.61 0.00 0.00 0.00 174.94 174.76 1nhh s GLU 228 N -0.81 0.71 -0.11 2.79 2.02 -1.25 -3.62 118.70 118.44 1nhh s GLU 228 Ca 0.10 -1.10 0.03 0.00 0.02 0.00 0.00 54.97 54.02 1nhh s GLU 228 Cb -0.09 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.33 1nhh s GLU 228 CO 0.00 -1.24 -0.23 -0.46 0.02 0.00 0.00 175.26 173.36 1nhh s TRP 229 N 1.15 2.50 -0.03 1.61 -0.11 -0.31 -5.00 118.94 118.74 1nhh s TRP 229 Ca 0.20 -1.08 -0.02 0.00 1.22 0.00 0.00 56.10 56.42 1nhh s TRP 229 Cb -0.12 -1.69 0.01 0.00 -1.50 0.00 0.00 33.47 30.18 1nhh s TRP 229 CO -0.05 -0.46 0.08 -0.65 -4.62 0.00 0.00 176.95 171.26 1nhh s GLN 230 N 0.49 0.08 0.00 5.86 -0.21 -1.26 0.33 119.66 124.94 1nhh s GLN 230 Ca -0.16 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.38 1nhh s GLN 230 Cb -0.17 -0.02 0.00 0.00 1.00 0.00 0.00 33.01 33.81 1nhh s GLN 230 CO 0.06 -0.05 0.00 1.58 -2.12 0.00 0.00 175.29 174.76 1nhh n HIS 231 N 3.35 0.00 0.00 0.91 -0.00 0.00 -5.02 115.22 114.46 1nhh n HIS 231 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1nhh n HIS 231 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 1nhh n HIS 231 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nhh n GLY 232 N 2.32 0.00 0.00 1.57 0.00 -1.26 -3.29 105.19 104.52 1nhh n GLY 232 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nhh n GLY 232 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nhh n ASP 233 N -0.02 0.75 -4.72 1.61 2.03 -1.26 -5.02 116.55 109.91 1nhh n ASP 233 Ca 0.00 -0.90 -0.41 0.00 0.52 0.00 0.00 54.79 54.00 1nhh n ASP 233 Cb 0.00 0.18 -0.04 0.00 -0.72 0.00 0.00 41.12 40.54 1nhh n ASP 233 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1nhh s LEU 234 N -0.36 4.44 -0.01 -2.67 1.43 -1.21 -4.51 118.68 115.80 1nhh s LEU 234 Ca 0.00 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.02 1nhh s LEU 234 Cb 0.00 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 1nhh s LEU 234 CO 0.00 -0.25 -0.05 -0.89 0.23 0.00 0.00 176.35 175.39 1nhh s THR 235 N 0.39 0.45 -0.09 5.49 2.01 -0.66 -0.82 115.64 122.42 1nhh s THR 235 Ca 0.51 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.31 1nhh s THR 235 Cb -0.26 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 71.86 1nhh s THR 235 CO 0.31 0.14 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.02 1nhh s LEU 236 N 0.02 1.68 0.31 4.42 2.96 0.15 -0.81 118.68 127.41 1nhh s LEU 236 Ca 0.00 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1nhh s LEU 236 Cb -0.04 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1nhh s LEU 236 CO -0.00 0.03 0.15 -0.13 -1.32 0.00 0.00 176.35 175.07 1nhh s ARG 237 N 0.83 1.60 0.00 1.98 0.52 -0.53 -1.16 118.95 122.20 1nhh s ARG 237 Ca -0.11 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.19 1nhh s ARG 237 Cb -0.15 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.14 1nhh s ARG 237 CO 0.01 -0.43 0.00 0.41 0.02 0.00 0.00 175.30 175.32 1nhh n GLY 238 N -0.60 0.29 3.03 -3.53 0.00 -1.24 -0.32 105.19 102.81 1nhh n GLY 238 Ca 0.00 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 1nhh n GLY 238 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nhh s TRP 239 N 0.00 0.53 -0.03 1.61 0.51 0.11 -0.45 118.94 121.22 1nhh s TRP 239 Ca 0.00 -0.45 0.01 0.00 -2.12 0.00 0.00 56.10 53.54 1nhh s TRP 239 Cb 0.00 -0.33 0.02 0.00 -0.81 0.00 0.00 33.47 32.35 1nhh s TRP 239 CO 0.00 -0.10 -0.03 0.54 -0.51 0.00 0.00 176.95 176.85 1nhh s VAL 240 N -1.24 0.40 0.47 4.03 0.11 -0.93 -0.33 120.40 122.92 1nhh s VAL 240 Ca -0.10 -0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.76 1nhh s VAL 240 Cb -0.09 -0.43 -0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1nhh s VAL 240 CO 0.00 0.18 0.87 0.00 -3.33 0.00 0.00 175.10 172.82 1nhh s ALA 241 N 0.78 3.23 -0.08 1.54 0.00 0.27 -1.49 121.76 126.01 1nhh s ALA 241 Ca -0.09 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.48 1nhh s ALA 241 Cb -0.12 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 1nhh s ALA 241 CO -0.00 -0.20 1.72 0.34 0.00 0.00 0.00 175.76 177.61 1nhh s ASP 242 N -3.35 6.52 0.33 0.00 -1.08 -1.24 -4.65 116.67 113.20 1nhh s ASP 242 Ca 0.54 2.16 0.04 0.00 -0.52 0.00 0.00 52.55 54.77 1nhh s ASP 242 Cb -0.10 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.47 1nhh s ASP 242 CO 0.35 -1.06 1.92 -0.65 0.52 0.00 0.00 175.17 176.26 1nhh h PRO 243 N 10.19 0.86 0.00 4.34 0.11 -1.94 0.96 132.00 146.52 1nhh h PRO 243 Ca -0.40 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1nhh h PRO 243 Cb 1.18 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1nhh h PRO 243 CO 0.96 0.57 -0.09 -0.97 -0.21 0.00 0.00 178.00 178.26 1nhh h ASN 244 N 0.88 0.00 -0.18 -2.05 -1.24 -1.96 -2.75 115.58 108.29 1nhh h ASN 244 Ca 0.37 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 57.26 1nhh h ASN 244 Cb 0.29 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.25 1nhh h ASN 244 CO -0.14 0.09 -0.45 1.41 -1.29 0.00 0.00 177.43 177.04 1nhh n HIS 245 N -3.41 0.62 -4.27 0.67 8.25 0.24 -5.00 115.22 112.32 1nhh n HIS 245 Ca -0.01 -1.64 -0.34 0.00 -0.26 0.00 0.00 57.72 55.47 1nhh n HIS 245 Cb 0.24 -0.32 -0.11 0.00 1.12 0.00 0.00 29.99 30.92 1nhh n HIS 245 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1nhh s THR 246 N -3.45 4.23 0.41 1.59 2.01 -0.63 -4.79 115.64 115.01 1nhh s THR 246 Ca 0.41 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.25 1nhh s THR 246 Cb 0.38 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 1nhh s THR 246 CO -0.04 0.49 0.48 0.42 -0.69 0.00 0.00 174.62 175.28 1nhh s THR 247 N 0.27 2.94 0.31 -0.82 -4.23 -1.26 -4.96 115.64 107.89 1nhh s THR 247 Ca -0.01 -1.15 -0.01 0.00 -1.18 0.00 0.00 61.69 59.35 1nhh s THR 247 Cb -0.13 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.94 1nhh s THR 247 CO 0.02 -0.01 1.97 -0.65 -0.54 0.00 0.00 174.62 175.41 1nhh h PRO 248 N 0.83 1.00 -0.51 3.99 0.11 -1.98 0.11 132.00 135.54 1nhh h PRO 248 Ca -0.41 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1nhh h PRO 248 Cb 1.27 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1nhh h PRO 248 CO 0.51 0.67 0.33 0.00 -0.21 0.00 0.00 178.00 179.30 1nhh h ALA 249 N 1.51 0.65 0.00 -0.75 0.00 -2.01 -1.76 119.26 116.90 1nhh h ALA 249 Ca 0.27 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1nhh h ALA 249 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1nhh h ALA 249 CO -0.06 0.08 -0.32 -0.07 0.00 0.00 0.00 179.25 178.89 1nhh h LEU 250 N 0.68 0.00 -0.44 0.00 3.38 -1.71 -2.54 115.31 114.68 1nhh h LEU 250 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1nhh h LEU 250 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1nhh h LEU 250 CO -0.05 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1nhh n ALA 251 N -2.33 1.62 0.54 1.53 0.00 -0.06 -1.69 120.51 120.12 1nhh n ALA 251 Ca -0.01 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1nhh n ALA 251 Cb 0.42 -1.31 0.43 0.00 0.00 0.00 0.00 19.45 18.99 1nhh n ALA 251 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nhh n GLU 252 N -1.93 0.10 -3.38 0.00 1.02 -0.95 -4.12 120.64 111.38 1nhh n GLU 252 Ca 0.02 0.28 -0.45 0.00 -0.02 0.00 0.00 57.16 57.00 1nhh n GLU 252 Cb 0.19 -1.68 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 1nhh n GLU 252 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nhh s ILE 253 N -3.13 5.58 -0.55 -3.67 1.01 -0.68 -4.91 121.20 114.85 1nhh s ILE 253 Ca 0.07 -2.97 0.06 0.00 0.00 0.00 0.00 60.65 57.81 1nhh s ILE 253 Cb 0.11 -4.41 0.22 0.00 0.01 0.00 0.00 42.46 38.38 1nhh s ILE 253 CO 0.38 -1.09 0.56 0.00 0.00 0.00 0.00 174.94 174.80 1nhh n GLN 254 N 3.33 1.49 -4.08 2.79 6.02 -1.25 -0.63 117.38 125.05 1nhh n GLN 254 Ca 0.18 -4.00 -0.36 0.00 -0.01 0.00 0.00 57.00 52.82 1nhh n GLN 254 Cb 0.43 -1.90 -0.08 0.00 1.02 0.00 0.00 30.24 29.71 1nhh n GLN 254 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1nhh s TYR 255 N -1.46 3.38 0.02 1.08 2.02 -0.65 -4.97 117.35 116.76 1nhh s TYR 255 Ca 0.34 0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 57.36 1nhh s TYR 255 Cb 0.09 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1nhh s TYR 255 CO -0.11 0.53 -0.02 0.00 -1.57 0.00 0.00 175.55 174.39 1nhh s TYR 257 N -1.20 0.96 -0.34 0.00 1.51 0.11 -1.74 117.35 116.65 1nhh s TYR 257 Ca -0.13 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1nhh s TYR 257 Cb -0.08 -0.60 0.07 0.00 -0.11 0.00 0.00 41.96 41.24 1nhh s TYR 257 CO -0.01 -0.01 0.08 0.08 -1.11 0.00 0.00 175.55 174.59 1nhh s VAL 258 N -0.47 3.13 -1.37 0.71 1.01 -0.65 0.08 120.40 122.83 1nhh s VAL 258 Ca 0.02 -1.64 -0.08 0.00 0.00 0.00 0.00 61.98 60.28 1nhh s VAL 258 Cb -0.05 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.41 1nhh s VAL 258 CO 0.00 -0.34 1.07 0.59 0.00 0.00 0.00 175.10 176.42 1nhh n ASN 259 N 4.61 -4.89 0.00 3.32 3.02 0.38 -1.93 115.26 119.76 1nhh n ASN 259 Ca -0.08 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1nhh n ASN 259 Cb 0.43 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 1nhh n ASN 259 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nhh n GLY 260 N -1.76 0.65 3.38 7.41 0.00 -1.26 -5.02 105.19 108.59 1nhh n GLY 260 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1nhh n GLY 260 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nhh s ARG 261 N -0.03 3.24 -0.23 1.61 3.52 -0.81 -4.90 118.95 121.35 1nhh s ARG 261 Ca 0.00 -0.76 -0.36 0.00 -0.13 0.00 0.00 55.73 54.48 1nhh s ARG 261 Cb 0.00 -3.39 -0.12 0.00 -1.56 0.00 0.00 34.95 29.88 1nhh s ARG 261 CO 0.00 -0.39 1.95 0.00 -0.81 0.00 0.00 175.30 176.06 1nhh n MET 262 N 4.90 1.54 -4.36 5.12 0.00 -1.26 -1.64 117.12 121.41 1nhh n MET 262 Ca -0.15 0.53 -0.19 0.00 0.00 0.00 0.00 57.70 57.89 1nhh n MET 262 Cb 0.49 -2.46 -0.10 0.00 0.00 0.00 0.00 33.22 31.15 1nhh n MET 262 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 1nhh s MET 263 N 4.70 1.40 -0.43 3.17 1.75 -0.71 -4.91 119.30 124.27 1nhh s MET 263 Ca 1.00 -1.70 0.04 0.00 -1.25 0.00 0.00 55.69 53.77 1nhh s MET 263 Cb -0.84 -0.83 0.17 0.00 2.84 0.00 0.00 34.83 36.16 1nhh s MET 263 CO 0.54 -0.03 0.34 0.50 -0.65 0.00 0.00 175.02 175.72 1nhh s ARG 264 N -3.80 0.98 -0.09 4.11 3.52 -1.25 -4.13 118.95 118.29 1nhh s ARG 264 Ca 0.28 -2.12 -0.12 0.00 -0.13 0.00 0.00 55.73 53.64 1nhh s ARG 264 Cb 0.05 -1.55 -0.05 0.00 -1.56 0.00 0.00 34.95 31.84 1nhh s ARG 264 CO 0.09 -1.36 0.28 0.34 -0.81 0.00 0.00 175.30 173.84 1nhh s ASP 265 N 0.06 6.55 0.19 -2.12 2.15 -1.26 -4.88 116.67 117.35 1nhh s ASP 265 Ca 0.31 0.65 -0.01 0.00 0.43 0.00 0.00 52.55 53.93 1nhh s ASP 265 Cb 0.00 -2.17 0.10 0.00 -0.30 0.00 0.00 42.92 40.56 1nhh s ASP 265 CO -0.18 0.27 1.47 0.03 -0.17 0.00 0.00 175.17 176.60 1nhh h ARG 266 N 5.47 0.41 -0.71 4.34 3.08 -1.99 -2.51 114.38 122.48 1nhh h ARG 266 Ca -0.49 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.21 1nhh h ARG 266 Cb 1.20 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1nhh h ARG 266 CO 0.65 0.93 0.29 1.25 -1.07 0.00 0.00 179.97 182.03 1nhh h LEU 267 N 0.29 0.97 -0.02 3.04 5.85 -1.98 -1.23 115.31 122.23 1nhh h LEU 267 Ca -0.02 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1nhh h LEU 267 Cb 1.22 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1nhh h LEU 267 CO 0.11 0.87 -0.00 0.40 -0.34 0.00 0.00 178.44 179.48 1nhh h ILE 268 N 1.01 1.27 -0.48 4.05 2.04 -1.96 -2.41 117.51 121.02 1nhh h ILE 268 Ca 0.24 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1nhh h ILE 268 Cb 0.19 1.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1nhh h ILE 268 CO -0.02 0.21 0.29 -1.13 0.00 0.00 0.00 178.15 177.50 1nhh h ASN 269 N -0.29 0.58 -0.33 1.72 -0.73 -1.38 -1.77 115.58 113.38 1nhh h ASN 269 Ca 0.01 -0.05 0.01 0.00 1.87 0.00 0.00 56.30 58.13 1nhh h ASN 269 Cb 0.34 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.77 1nhh h ASN 269 CO 0.00 0.46 0.19 -0.74 -0.37 0.00 0.00 177.43 176.98 1nhh h HIS 270 N 0.64 0.36 -0.67 0.67 2.76 -1.25 0.24 115.15 117.91 1nhh h HIS 270 Ca 0.17 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 1nhh h HIS 270 Cb -0.01 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.78 1nhh h HIS 270 CO -0.03 0.21 0.38 0.00 -1.30 0.00 0.00 177.93 177.20 1nhh h ALA 271 N 1.15 0.89 -0.41 5.26 0.00 -1.19 0.05 119.26 125.00 1nhh h ALA 271 Ca 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1nhh h ALA 271 Cb -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1nhh h ALA 271 CO -0.06 0.07 0.03 0.82 0.00 0.00 0.00 179.25 180.12 1nhh h ILE 272 N 0.71 1.21 -0.03 0.00 2.04 -0.65 -3.01 117.51 117.79 1nhh h ILE 272 Ca 0.29 -0.82 -0.25 0.00 1.00 0.00 0.00 64.86 65.09 1nhh h ILE 272 Cb 0.16 0.87 0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1nhh h ILE 272 CO -0.17 0.29 -0.97 0.03 0.00 0.00 0.00 178.15 177.33 1nhh h ARG 273 N 0.61 0.66 0.00 2.37 3.08 -0.00 -2.86 114.38 118.23 1nhh h ARG 273 Ca 0.13 -0.67 -0.00 0.00 0.07 0.00 0.00 59.98 59.51 1nhh h ARG 273 Cb 0.34 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1nhh h ARG 273 CO 0.01 1.27 -0.00 0.37 -1.07 0.00 0.00 179.97 180.54 1nhh h GLN 274 N 0.39 0.00 0.16 0.04 4.15 -0.90 0.14 115.11 119.09 1nhh h GLN 274 Ca -0.10 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.01 1nhh h GLN 274 Cb 1.61 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.31 1nhh h GLN 274 CO 0.19 0.00 -1.52 0.00 -1.93 0.00 0.00 178.83 175.57 1nhh h ALA 275 N 2.00 0.12 0.00 3.38 0.00 -1.42 -2.82 119.26 120.53 1nhh h ALA 275 Ca -0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 54.91 53.74 1nhh h ALA 275 Cb 0.06 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1nhh h ALA 275 CO 0.00 0.87 -0.48 0.00 0.00 0.00 0.00 179.25 179.64 1nhh h GLU 277 N 0.00 -0.21 -0.41 0.00 4.81 -0.87 -1.11 114.58 116.79 1nhh h GLU 277 Ca -0.00 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 1nhh h GLU 277 Cb 1.08 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1nhh h GLU 277 CO 0.06 0.20 0.35 -0.44 -0.73 0.00 0.00 179.01 178.45 1nhh h ASP 278 N -0.92 0.00 0.00 1.04 5.19 -1.54 1.01 116.42 121.21 1nhh h ASP 278 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1nhh h ASP 278 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1nhh h ASP 278 CO 0.04 0.00 0.00 1.17 -3.12 0.00 0.00 179.24 177.33 1nhh n LYS 279 N -4.07 0.00 -0.28 3.56 0.00 -1.02 -4.41 118.16 111.94 1nhh n LYS 279 Ca 0.07 0.24 0.09 0.00 0.00 0.00 0.00 58.31 58.71 1nhh n LYS 279 Cb 0.54 -0.70 0.24 0.00 0.00 0.00 0.00 35.03 35.11 1nhh n LYS 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1nhh h LEU 280 N 0.00 0.14 0.00 3.14 5.85 -1.19 -3.51 115.31 119.74 1nhh h LEU 280 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1nhh h LEU 280 Cb 0.00 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1nhh h LEU 280 CO 0.00 -0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.68 1nhh n GLY 281 N -1.35 0.78 0.43 3.75 0.00 0.35 -5.06 105.19 104.08 1nhh n GLY 281 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1nhh n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nhh n GLN 284 N -2.21 1.06 -1.68 1.61 10.64 -1.26 -4.96 117.38 120.58 1nhh n GLN 284 Ca 0.00 -0.44 -0.49 0.00 -1.83 0.00 0.00 57.00 54.24 1nhh n GLN 284 Cb 0.00 0.22 -0.05 0.00 -0.86 0.00 0.00 30.24 29.55 1nhh n GLN 284 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1nhh n GLN 285 N -0.12 2.13 -2.79 2.61 1.13 -1.26 -4.90 117.38 114.17 1nhh n GLN 285 Ca -0.01 0.78 -0.32 0.00 -1.94 0.00 0.00 57.00 55.51 1nhh n GLN 285 Cb 0.08 -2.61 -0.05 0.00 0.11 0.00 0.00 30.24 27.77 1nhh n GLN 285 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nhh s PRO 286 N 3.71 3.98 -0.11 -1.09 0.04 -1.26 -4.74 135.00 135.52 1nhh s PRO 286 Ca 0.92 0.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 1nhh s PRO 286 Cb -0.71 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 1nhh s PRO 286 CO 0.51 -0.05 -0.03 0.00 0.04 0.00 0.00 177.00 177.46 1nhh s ALA 287 N -2.31 3.09 0.13 8.56 0.00 -1.26 -4.76 121.76 125.21 1nhh s ALA 287 Ca 0.56 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1nhh s ALA 287 Cb -0.10 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.63 1nhh s ALA 287 CO 0.24 0.41 0.90 -0.59 0.00 0.00 0.00 175.76 176.73 1nhh s PHE 288 N -0.30 -0.20 -0.33 0.00 -0.12 0.20 -0.56 117.98 116.67 1nhh s PHE 288 Ca 0.05 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 1nhh s PHE 288 Cb -0.12 0.62 0.14 0.00 -0.63 0.00 0.00 43.02 43.03 1nhh s PHE 288 CO 0.02 -0.81 0.29 0.08 -0.05 0.00 0.00 175.22 174.75 1nhh s VAL 289 N -3.34 -0.24 0.00 -2.49 1.01 0.55 -1.64 120.40 114.26 1nhh s VAL 289 Ca 0.10 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1nhh s VAL 289 Cb -0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1nhh s VAL 289 CO -0.00 -0.63 -0.06 -0.76 0.00 0.00 0.00 175.10 173.64 1nhh s LEU 290 N 1.79 3.19 -0.16 3.92 1.43 0.00 0.04 118.68 128.89 1nhh s LEU 290 Ca 0.13 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1nhh s LEU 290 Cb -0.16 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1nhh s LEU 290 CO -0.18 0.28 -0.17 -0.31 0.23 0.00 0.00 176.35 176.21 1nhh s TYR 291 N -1.00 2.43 -0.22 0.29 1.51 0.56 -0.71 117.35 120.20 1nhh s TYR 291 Ca 0.17 -1.40 -0.08 0.00 -1.01 0.00 0.00 57.07 54.75 1nhh s TYR 291 Cb -0.11 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1nhh s TYR 291 CO 0.08 -0.73 0.09 -1.17 -1.11 0.00 0.00 175.55 172.71 1nhh s LEU 292 N 1.40 3.74 -0.19 -1.29 2.96 0.11 -1.45 118.68 123.96 1nhh s LEU 292 Ca 0.05 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1nhh s LEU 292 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1nhh s LEU 292 CO -0.12 0.06 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.32 1nhh s GLU 293 N 1.05 3.51 0.09 1.98 0.41 0.01 -0.47 118.70 125.28 1nhh s GLU 293 Ca 0.05 -0.58 -0.11 0.00 -0.41 0.00 0.00 54.97 53.92 1nhh s GLU 293 Cb -0.14 -2.96 0.01 0.00 -1.78 0.00 0.00 34.13 29.26 1nhh s GLU 293 CO 0.03 0.01 0.26 -1.50 -0.49 0.00 0.00 175.26 173.57 1nhh s ILE 294 N 0.96 0.12 0.06 -1.63 2.07 -1.26 -1.65 121.20 119.87 1nhh s ILE 294 Ca 0.00 -0.96 -0.31 0.00 -1.41 0.00 0.00 60.65 57.98 1nhh s ILE 294 Cb -0.15 -1.25 -0.08 0.00 0.13 0.00 0.00 42.46 41.12 1nhh s ILE 294 CO 0.01 -0.53 1.61 -0.62 -1.91 0.00 0.00 174.94 173.50 1nhh s ASP 295 N -2.76 6.64 0.63 4.50 2.15 -1.26 -4.86 116.67 121.71 1nhh s ASP 295 Ca 0.03 2.43 0.28 0.00 0.43 0.00 0.00 52.55 55.73 1nhh s ASP 295 Cb 0.03 -2.56 1.52 0.00 -0.30 0.00 0.00 42.92 41.61 1nhh s ASP 295 CO -0.11 -0.86 1.88 1.55 -0.17 0.00 0.00 175.17 177.47 1nhh h PRO 296 N 8.18 0.00 0.00 4.34 0.13 -1.89 0.13 132.00 142.90 1nhh h PRO 296 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1nhh h PRO 296 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1nhh h PRO 296 CO 0.92 0.00 -0.35 0.45 -0.23 0.00 0.00 178.00 178.79 1nhh h HIS 297 N 0.00 0.00 -0.00 1.56 3.86 -1.89 -3.03 115.15 115.64 1nhh h HIS 297 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1nhh h HIS 297 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 1nhh h HIS 297 CO 0.00 0.35 -0.10 1.04 0.86 0.00 0.00 177.93 180.08 1nhh n GLN 298 N -3.54 0.69 -4.19 2.45 1.13 0.46 -4.84 117.38 109.53 1nhh n GLN 298 Ca -0.00 -0.22 -0.19 0.00 -1.94 0.00 0.00 57.00 54.65 1nhh n GLN 298 Cb 0.49 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.22 1nhh n GLN 298 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1nhh s VAL 299 N -2.46 1.18 -0.24 5.09 0.11 -1.15 -0.70 120.40 122.24 1nhh s VAL 299 Ca 0.29 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 57.97 1nhh s VAL 299 Cb 0.20 -1.17 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1nhh s VAL 299 CO 0.47 -0.24 -0.10 -0.62 -3.33 0.00 0.00 175.10 171.27 1nhh s ASP 300 N -1.85 4.10 -0.03 3.54 2.15 0.11 -4.91 116.67 119.77 1nhh s ASP 300 Ca 0.00 -0.99 0.16 0.00 0.43 0.00 0.00 52.55 52.16 1nhh s ASP 300 Cb -0.09 -1.59 0.51 0.00 -0.30 0.00 0.00 42.92 41.44 1nhh s ASP 300 CO 0.02 -0.12 1.43 1.33 -0.17 0.00 0.00 175.17 177.66 1nhh n VAL 301 N 4.59 1.23 -2.77 1.11 0.24 -1.26 -2.03 118.33 119.44 1nhh n VAL 301 Ca -0.17 -1.10 -0.38 0.00 -2.04 0.00 0.00 64.34 60.66 1nhh n VAL 301 Cb 0.46 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1nhh n VAL 301 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nhh n ASN 302 N 0.93 6.50 -0.01 -1.34 4.05 -1.26 -4.56 115.26 119.57 1nhh n ASN 302 Ca 0.19 -3.65 -0.01 0.00 0.45 0.00 0.00 54.58 51.56 1nhh n ASN 302 Cb 0.61 -1.02 -0.02 0.00 1.23 0.00 0.00 39.78 40.58 1nhh n ASN 302 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1nhh n VAL 303 N 0.07 0.14 -4.34 3.44 0.31 -1.26 -5.03 118.33 111.65 1nhh n VAL 303 Ca 0.41 -0.08 -0.20 0.00 -0.01 0.00 0.00 64.34 64.46 1nhh n VAL 303 Cb 0.30 -0.92 -0.16 0.00 -0.91 0.00 0.00 33.84 32.16 1nhh n VAL 303 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1nhh s HIS 304 N -2.05 0.89 0.66 3.52 5.65 -1.26 -4.99 115.29 117.71 1nhh s HIS 304 Ca -0.01 -0.23 0.39 0.00 0.25 0.00 0.00 55.06 55.47 1nhh s HIS 304 Cb 0.01 -0.65 2.15 0.00 -1.18 0.00 0.00 32.58 32.90 1nhh s HIS 304 CO 0.08 -0.11 2.23 -1.00 -0.65 0.00 0.00 174.74 175.29 1nhh h PRO 305 N 6.50 0.00 -0.02 2.88 0.13 -1.95 0.14 132.00 139.68 1nhh h PRO 305 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1nhh h PRO 305 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nhh h PRO 305 CO 0.49 0.00 -0.16 0.00 -0.23 0.00 0.00 178.00 178.10 1nhh n ALA 306 N -2.05 2.82 -2.74 -0.56 0.00 -1.26 -4.89 120.51 111.82 1nhh n ALA 306 Ca -0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 53.44 52.60 1nhh n ALA 306 Cb 0.17 -0.73 0.02 0.00 0.00 0.00 0.00 19.45 18.92 1nhh n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nhh n LYS 307 N 0.77 -3.27 0.17 0.00 5.02 0.48 -4.92 118.16 116.42 1nhh n LYS 307 Ca 0.11 0.67 0.05 0.00 -2.02 0.00 0.00 58.31 57.12 1nhh n LYS 307 Cb 0.50 -5.00 0.23 0.00 -0.02 0.00 0.00 35.03 30.74 1nhh n LYS 307 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1nhh h HIS 308 N -0.89 0.00 -2.57 2.13 3.86 -1.91 -3.47 115.15 112.30 1nhh h HIS 308 Ca -0.38 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.32 1nhh h HIS 308 Cb 1.26 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.60 1nhh h HIS 308 CO 0.38 0.40 -0.63 -1.21 0.86 0.00 0.00 177.93 177.72 1nhh s GLU 309 N -3.34 1.66 0.10 2.45 2.02 -1.26 -3.81 118.70 116.53 1nhh s GLU 309 Ca 0.02 -1.89 -0.18 0.00 0.02 0.00 0.00 54.97 52.94 1nhh s GLU 309 Cb 0.09 -1.11 0.04 0.00 0.10 0.00 0.00 34.13 33.25 1nhh s GLU 309 CO 0.70 -0.07 0.43 0.14 0.02 0.00 0.00 175.26 176.48 1nhh s VAL 310 N -3.08 0.06 -0.03 2.63 -7.23 -1.26 -4.57 120.40 106.91 1nhh s VAL 310 Ca 0.33 -0.46 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1nhh s VAL 310 Cb 0.07 -1.08 0.01 0.00 0.56 0.00 0.00 36.38 35.94 1nhh s VAL 310 CO 0.14 -0.26 -0.06 0.00 -0.31 0.00 0.00 175.10 174.62 1nhh s ARG 311 N -3.36 0.77 -0.09 4.82 1.70 -0.86 -4.97 118.95 116.97 1nhh s ARG 311 Ca 0.00 -0.17 -0.15 0.00 -0.47 0.00 0.00 55.73 54.94 1nhh s ARG 311 Cb 0.01 -0.76 -0.05 0.00 -0.57 0.00 0.00 34.95 33.58 1nhh s ARG 311 CO -0.09 0.01 0.38 -0.06 -1.08 0.00 0.00 175.30 174.46 1nhh s PHE 312 N 0.51 3.58 0.20 5.89 0.08 -1.26 -0.72 117.98 126.27 1nhh s PHE 312 Ca -0.07 0.82 -0.11 0.00 0.12 0.00 0.00 56.93 57.70 1nhh s PHE 312 Cb -0.11 -2.36 0.17 0.00 -0.57 0.00 0.00 43.02 40.16 1nhh s PHE 312 CO 0.00 0.40 1.85 0.45 -0.10 0.00 0.00 175.22 177.82 1nhh h HIS 313 N 5.86 0.81 -2.50 0.36 3.86 -1.26 -3.12 115.15 119.15 1nhh h HIS 313 Ca -0.46 0.02 -0.70 0.00 -1.16 0.00 0.00 60.37 58.08 1nhh h HIS 313 Cb 1.19 -0.27 -0.35 0.00 1.06 0.00 0.00 27.41 29.04 1nhh h HIS 313 CO 0.66 0.47 0.07 1.04 0.86 0.00 0.00 177.93 181.03 1nhh n GLN 314 N -4.66 3.55 -0.22 2.45 6.02 -1.26 -4.94 117.38 118.32 1nhh n GLN 314 Ca 0.07 -4.64 -0.13 0.00 -0.01 0.00 0.00 57.00 52.29 1nhh n GLN 314 Cb 0.07 -2.37 -0.10 0.00 1.02 0.00 0.00 30.24 28.86 1nhh n GLN 314 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1nhh h SER 315 N 4.63 -1.95 -0.08 1.08 0.87 -1.93 -1.89 113.55 114.28 1nhh h SER 315 Ca 0.21 0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 61.02 1nhh h SER 315 Cb 0.61 0.82 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 1nhh h SER 315 CO 1.07 -0.36 -0.01 0.03 -0.53 0.00 0.00 176.83 177.03 1nhh h ARG 316 N -0.29 0.25 -0.21 2.24 3.08 -1.92 -1.38 114.38 116.15 1nhh h ARG 316 Ca 0.10 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1nhh h ARG 316 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1nhh h ARG 316 CO -0.70 0.28 -0.02 1.25 -1.07 0.00 0.00 179.97 179.72 1nhh h LEU 317 N 0.24 0.37 -0.32 3.04 5.85 -1.80 -2.35 115.31 120.34 1nhh h LEU 317 Ca 0.06 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.38 1nhh h LEU 317 Cb 0.18 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1nhh h LEU 317 CO 0.00 0.61 -0.07 0.58 -0.34 0.00 0.00 178.44 179.22 1nhh h VAL 318 N 0.12 1.28 0.12 1.05 2.07 -1.06 -1.37 116.25 118.46 1nhh h VAL 318 Ca 0.06 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.48 1nhh h VAL 318 Cb 0.43 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1nhh h VAL 318 CO 0.01 0.36 -0.22 -0.74 0.02 0.00 0.00 177.57 177.00 1nhh h HIS 319 N 0.40 -0.59 -0.10 1.57 -0.00 -1.29 -1.74 115.15 113.40 1nhh h HIS 319 Ca 0.08 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 1nhh h HIS 319 Cb 0.56 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 28.21 1nhh h HIS 319 CO 0.05 -0.32 0.05 0.22 -0.00 0.00 0.00 177.93 177.93 1nhh h ASP 320 N -0.42 0.11 -0.34 3.26 1.82 -1.41 -0.29 116.42 119.16 1nhh h ASP 320 Ca 0.03 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.62 1nhh h ASP 320 Cb 0.44 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 1nhh h ASP 320 CO -0.12 0.09 0.05 0.15 -1.61 0.00 0.00 179.24 177.81 1nhh h PHE 321 N 0.13 0.60 -0.18 0.28 3.57 -0.41 -1.42 116.94 119.50 1nhh h PHE 321 Ca 0.03 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.25 1nhh h PHE 321 Cb 0.01 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1nhh h PHE 321 CO 0.00 0.63 -0.69 0.82 -2.23 0.00 0.00 178.31 176.84 1nhh h ILE 322 N 0.39 1.29 0.38 1.41 2.04 -0.85 -1.49 117.51 120.69 1nhh h ILE 322 Ca 0.10 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1nhh h ILE 322 Cb 0.36 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1nhh h ILE 322 CO 0.01 0.61 -0.34 0.22 0.00 0.00 0.00 178.15 178.64 1nhh h TYR 323 N 0.53 -0.92 -0.65 1.37 3.20 -0.97 0.58 116.97 120.12 1nhh h TYR 323 Ca -0.03 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1nhh h TYR 323 Cb 1.30 0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.88 1nhh h TYR 323 CO 0.07 -0.49 0.40 1.96 -1.64 0.00 0.00 178.16 178.46 1nhh h GLN 324 N -0.74 0.77 -0.06 1.82 1.08 -1.30 0.20 115.11 116.89 1nhh h GLN 324 Ca -0.03 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1nhh h GLN 324 Cb 0.65 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 1nhh h GLN 324 CO -0.04 0.51 -0.18 0.78 -0.95 0.00 0.00 178.83 178.95 1nhh h GLY 325 N 0.79 -0.19 0.63 3.46 0.00 -0.82 0.28 103.07 107.22 1nhh h GLY 325 Ca 0.26 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1nhh h GLY 325 CO -0.10 -0.17 -0.17 -2.08 0.00 0.00 0.00 176.54 174.02 1nhh h VAL 326 N -0.26 0.59 -0.98 4.60 2.07 -0.69 -2.97 116.25 118.61 1nhh h VAL 326 Ca 0.07 -0.60 0.27 0.00 0.82 0.00 0.00 66.70 67.26 1nhh h VAL 326 Cb 0.36 0.86 -0.13 0.00 -1.52 0.00 0.00 31.29 30.86 1nhh h VAL 326 CO -0.21 0.10 0.55 0.25 0.02 0.00 0.00 177.57 178.28 1nhh h LEU 327 N -0.84 0.55 -0.39 2.57 5.85 -0.50 0.72 115.31 123.27 1nhh h LEU 327 Ca -0.05 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1nhh h LEU 327 Cb 0.53 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1nhh h LEU 327 CO 0.08 -0.00 0.18 -1.28 -0.34 0.00 0.00 178.44 177.08 1nhh h SER 328 N 0.45 0.51 -0.50 1.25 0.87 -0.39 -2.99 113.55 112.76 1nhh h SER 328 Ca 0.66 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 61.03 1nhh h SER 328 Cb 1.36 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1nhh h SER 328 CO -0.54 0.51 0.10 0.58 -0.53 0.00 0.00 176.83 176.95 1nhh h VAL 329 N 0.49 1.24 0.00 2.23 2.07 -0.72 -1.90 116.25 119.66 1nhh h VAL 329 Ca 0.13 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1nhh h VAL 329 Cb 0.13 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1nhh h VAL 329 CO -0.02 0.33 0.00 0.18 0.02 0.00 0.00 177.57 178.08 1nhh n LEU 330 N -4.25 0.00 0.00 2.57 4.77 -0.78 -5.11 117.00 114.20 1nhh n LEU 330 Ca 0.04 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1nhh n LEU 330 Cb 0.25 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1nhh n LEU 330 CO 0.41 -0.08 0.02 1.67 -1.33 0.00 0.00 177.39 178.07