#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhn s VAL 4 N 0.00 4.86 0.00 -0.18 1.01 -1.26 -4.89 120.40 119.94 3dhn s VAL 4 Ca 0.00 1.91 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3dhn s VAL 4 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3dhn s VAL 4 CO 0.00 0.08 0.00 0.29 0.00 0.00 0.00 175.10 175.47 3dhn n LYS 5 N 4.56 0.00 -3.78 2.72 5.02 -1.26 -5.01 118.16 120.41 3dhn n LYS 5 Ca 0.06 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.00 3dhn n LYS 5 Cb 0.50 -0.39 -0.09 0.00 -0.02 0.00 0.00 35.03 35.03 3dhn n LYS 5 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3dhn s LYS 6 N -1.96 4.09 0.06 1.97 1.02 -1.26 -1.92 119.74 121.74 3dhn s LYS 6 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.72 3dhn s LYS 6 Cb 0.00 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3dhn s LYS 6 CO 0.00 0.22 -0.04 0.96 -0.92 0.00 0.00 175.35 175.56 3dhn s ILE 7 N 0.58 0.39 -0.08 2.17 -4.36 -0.71 -0.38 121.20 118.80 3dhn s ILE 7 Ca 0.07 -1.79 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 3dhn s ILE 7 Cb -0.12 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.09 3dhn s ILE 7 CO 0.00 -0.91 -0.20 -0.69 0.24 0.00 0.00 174.94 173.38 3dhn s VAL 8 N -3.62 2.46 -0.31 8.37 1.01 -1.02 -1.49 120.40 125.82 3dhn s VAL 8 Ca 0.07 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 3dhn s VAL 8 Cb 0.06 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.55 3dhn s VAL 8 CO -0.07 0.56 0.00 -0.22 0.00 0.00 0.00 175.10 175.37 3dhn s LEU 9 N -0.06 4.01 -0.20 3.92 0.20 -0.15 -1.30 118.68 125.10 3dhn s LEU 9 Ca -0.05 -1.45 -0.21 0.00 0.69 0.00 0.00 54.13 53.11 3dhn s LEU 9 Cb -0.14 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 3dhn s LEU 9 CO 0.04 -0.28 0.63 -0.63 -0.29 0.00 0.00 176.35 175.82 3dhn s ILE 10 N 1.18 5.02 0.00 6.68 1.01 -0.17 -1.08 121.20 133.85 3dhn s ILE 10 Ca -0.03 1.18 0.00 0.00 0.00 0.00 0.00 60.65 61.80 3dhn s ILE 10 Cb -0.20 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3dhn s ILE 10 CO -0.03 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3dhn n GLY 11 N 3.80 0.69 1.93 6.18 0.00 -0.04 0.24 105.19 118.00 3dhn n GLY 11 Ca -0.01 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 3dhn n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhn n ALA 12 N -1.51 4.67 -2.30 4.61 0.00 -1.08 -4.35 120.51 120.54 3dhn n ALA 12 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 3dhn n ALA 12 Cb 0.44 -1.93 -0.09 0.00 0.00 0.00 0.00 19.45 17.87 3dhn n ALA 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dhn s SER 13 N 2.13 1.20 0.00 0.00 1.04 -1.26 -4.19 113.70 112.62 3dhn s SER 13 Ca 0.35 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3dhn s SER 13 Cb 0.17 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3dhn s SER 13 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3dhn n GLY 14 N -0.50 -1.33 0.18 7.32 0.00 -1.26 -2.27 105.19 107.32 3dhn n GLY 14 Ca 0.01 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 3dhn n GLY 14 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dhn h PHE 15 N 0.00 -0.35 -0.03 1.61 0.04 -1.99 -1.86 116.94 114.36 3dhn h PHE 15 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3dhn h PHE 15 Cb 0.00 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 3dhn h PHE 15 CO 0.00 -0.20 -0.01 0.28 -0.60 0.00 0.00 178.31 177.77 3dhn h VAL 16 N -0.26 1.33 -0.97 -0.55 2.07 -1.94 -1.76 116.25 114.18 3dhn h VAL 16 Ca 0.02 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3dhn h VAL 16 Cb 0.28 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3dhn h VAL 16 CO -0.08 0.27 0.64 1.23 0.02 0.00 0.00 177.57 179.64 3dhn h GLY 17 N -0.35 1.40 1.06 2.17 0.00 -1.50 -1.30 103.07 104.55 3dhn h GLY 17 Ca 0.01 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 3dhn h GLY 17 CO 0.00 0.43 -0.40 1.76 0.00 0.00 0.00 176.54 178.33 3dhn h SER 18 N 1.23 0.89 -0.57 0.19 0.02 -1.36 -1.80 113.55 112.16 3dhn h SER 18 Ca 0.38 -0.50 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3dhn h SER 18 Cb -0.02 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3dhn h SER 18 CO -0.11 1.21 0.30 0.00 -1.14 0.00 0.00 176.83 177.09 3dhn h ALA 19 N 0.71 1.41 -0.19 3.77 0.00 -0.85 -1.98 119.26 122.12 3dhn h ALA 19 Ca 0.04 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3dhn h ALA 19 Cb 0.99 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dhn h ALA 19 CO 0.09 0.48 -0.64 -0.07 0.00 0.00 0.00 179.25 179.11 3dhn h LEU 20 N 0.84 0.80 0.05 0.00 3.38 -1.15 -2.41 115.31 116.81 3dhn h LEU 20 Ca 0.21 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3dhn h LEU 20 Cb 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3dhn h LEU 20 CO -0.03 1.24 -0.02 0.25 0.09 0.00 0.00 178.44 179.96 3dhn h LEU 21 N 0.51 -0.06 -0.44 1.67 5.85 -0.88 -1.81 115.31 120.16 3dhn h LEU 21 Ca -0.01 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 3dhn h LEU 21 Cb 1.23 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3dhn h LEU 21 CO 0.13 -0.00 -0.14 0.78 -0.34 0.00 0.00 178.44 178.86 3dhn h ASN 22 N -0.10 0.89 -0.68 1.25 -0.26 -1.44 -2.64 115.58 112.60 3dhn h ASN 22 Ca -0.01 -0.38 -0.04 0.00 -0.56 0.00 0.00 56.30 55.32 3dhn h ASN 22 Cb 0.09 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 3dhn h ASN 22 CO 0.01 1.06 0.29 -0.08 -1.06 0.00 0.00 177.43 177.66 3dhn h GLU 23 N 0.71 1.02 -0.24 0.81 4.57 -1.38 -1.34 114.58 118.73 3dhn h GLU 23 Ca 0.11 -0.16 -0.18 0.00 -1.18 0.00 0.00 59.36 57.94 3dhn h GLU 23 Cb 0.69 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3dhn h GLU 23 CO 0.05 0.82 -0.55 0.00 -1.18 0.00 0.00 179.01 178.15 3dhn h ALA 24 N 1.31 0.39 -0.44 2.92 0.00 -1.28 -3.07 119.26 119.09 3dhn h ALA 24 Ca 0.24 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3dhn h ALA 24 Cb 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dhn h ALA 24 CO -0.02 0.60 -0.12 -0.07 0.00 0.00 0.00 179.25 179.64 3dhn h LEU 25 N 0.54 0.87 -2.25 0.00 3.38 -1.36 -2.43 115.31 114.06 3dhn h LEU 25 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3dhn h LEU 25 Cb 1.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3dhn h LEU 25 CO 0.12 1.04 0.00 0.78 0.09 0.00 0.00 178.44 180.47 3dhn h ASN 26 N 0.69 0.00 -0.35 -0.43 -0.26 -1.27 -2.20 115.58 111.76 3dhn h ASN 26 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3dhn h ASN 26 Cb 0.67 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 3dhn h ASN 26 CO 0.05 0.00 0.00 0.54 -1.06 0.00 0.00 177.43 176.96 3dhn n ARG 27 N -2.76 3.34 -0.65 0.81 1.74 -1.02 -4.97 116.66 113.15 3dhn n ARG 27 Ca -0.02 -2.83 0.00 0.00 -0.77 0.00 0.00 57.85 54.23 3dhn n ARG 27 Cb 0.08 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.65 3dhn n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dhn n GLY 28 N -0.09 0.66 3.84 -0.13 0.00 -0.83 -5.07 105.19 103.58 3dhn n GLY 28 Ca 0.22 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3dhn n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dhn s PHE 29 N -2.00 3.52 -0.31 1.61 0.08 -0.94 -5.04 117.98 114.90 3dhn s PHE 29 Ca 0.00 1.17 -0.18 0.00 0.12 0.00 0.00 56.93 58.03 3dhn s PHE 29 Cb 0.00 -2.47 -0.01 0.00 -0.57 0.00 0.00 43.02 39.97 3dhn s PHE 29 CO 0.00 0.28 0.52 -1.21 -0.10 0.00 0.00 175.22 174.72 3dhn s GLU 30 N -2.39 3.84 -0.04 0.44 2.02 -0.81 -4.52 118.70 117.24 3dhn s GLU 30 Ca 0.45 0.09 0.06 0.00 0.02 0.00 0.00 54.97 55.59 3dhn s GLU 30 Cb -0.14 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.34 3dhn s GLU 30 CO 0.20 -0.51 -0.22 0.08 0.02 0.00 0.00 175.26 174.83 3dhn s VAL 31 N 2.39 2.40 -0.37 2.63 1.01 0.33 -1.74 120.40 127.04 3dhn s VAL 31 Ca 0.20 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 3dhn s VAL 31 Cb -0.15 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.43 3dhn s VAL 31 CO 0.12 0.58 0.14 -0.89 0.00 0.00 0.00 175.10 175.05 3dhn s THR 32 N -0.55 3.41 -0.10 3.92 2.01 -0.55 -1.29 115.64 122.48 3dhn s THR 32 Ca 0.08 -1.66 -0.20 0.00 0.31 0.00 0.00 61.69 60.22 3dhn s THR 32 Cb -0.11 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 3dhn s THR 32 CO 0.00 -0.44 0.55 0.00 -0.69 0.00 0.00 174.62 174.04 3dhn s ALA 33 N 1.25 3.43 -0.21 7.40 0.00 0.73 -0.97 121.76 133.38 3dhn s ALA 33 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 3dhn s ALA 33 Cb -0.22 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 3dhn s ALA 33 CO -0.02 -0.02 -0.06 0.08 0.00 0.00 0.00 175.76 175.74 3dhn s VAL 34 N 0.65 3.24 0.14 0.00 1.01 -0.24 -0.69 120.40 124.51 3dhn s VAL 34 Ca 0.30 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 3dhn s VAL 34 Cb -0.16 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3dhn s VAL 34 CO 0.13 0.44 0.09 0.68 0.00 0.00 0.00 175.10 176.44 3dhn s VAL 35 N 1.39 0.08 0.09 2.92 -7.23 -0.63 -0.86 120.40 116.16 3dhn s VAL 35 Ca 0.05 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 3dhn s VAL 35 Cb -0.14 -2.09 -0.22 0.00 0.56 0.00 0.00 36.38 34.49 3dhn s VAL 35 CO -0.04 -0.38 1.17 0.03 -0.31 0.00 0.00 175.10 175.58 3dhn h ARG 36 N 2.79 0.01 -2.99 4.82 3.08 -1.91 -3.39 114.38 116.80 3dhn h ARG 36 Ca -0.35 -0.01 -0.61 0.00 0.07 0.00 0.00 59.98 59.08 3dhn h ARG 36 Cb 1.21 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.86 3dhn h ARG 36 CO 0.57 0.92 -0.72 -1.01 -1.07 0.00 0.00 179.97 178.66 3dhn s HIS 37 N -2.69 2.29 0.46 3.04 3.76 -1.26 -4.97 115.29 115.92 3dhn s HIS 37 Ca -0.00 -2.65 0.16 0.00 -0.15 0.00 0.00 55.06 52.42 3dhn s HIS 37 Cb 0.10 -2.03 1.12 0.00 1.11 0.00 0.00 32.58 32.87 3dhn s HIS 37 CO 0.82 -0.75 2.01 -1.35 -0.85 0.00 0.00 174.74 174.63 3dhn h PRO 38 N 6.39 0.28 -0.61 8.40 0.11 -1.94 -2.29 132.00 142.34 3dhn h PRO 38 Ca 0.03 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.28 3dhn h PRO 38 Cb 0.89 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 3dhn h PRO 38 CO 0.53 0.18 0.43 1.05 -0.21 0.00 0.00 178.00 179.98 3dhn h GLU 39 N 0.29 0.10 0.00 1.05 9.09 -1.99 -1.07 114.58 122.04 3dhn h GLU 39 Ca 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.62 3dhn h GLU 39 Cb 0.50 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3dhn h GLU 39 CO -0.05 0.07 0.00 0.87 0.05 0.00 0.00 179.01 179.95 3dhn h LYS 40 N 0.10 0.00 -5.15 1.06 1.57 -1.85 -3.42 116.57 108.89 3dhn h LYS 40 Ca 0.29 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.45 3dhn h LYS 40 Cb 1.01 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.17 3dhn h LYS 40 CO -0.03 0.00 -0.29 0.42 -0.57 0.00 0.00 179.45 178.98 3dhn s ILE 41 N -3.54 5.21 -0.15 1.86 1.01 -0.41 -4.94 121.20 120.23 3dhn s ILE 41 Ca 0.02 0.50 0.16 0.00 0.00 0.00 0.00 60.65 61.33 3dhn s ILE 41 Cb 0.09 -3.66 0.31 0.00 0.01 0.00 0.00 42.46 39.21 3dhn s ILE 41 CO 0.49 0.20 1.20 0.29 0.00 0.00 0.00 174.94 177.11 3dhn n LYS 42 N 5.10 1.88 -2.18 2.79 4.76 -1.26 -5.03 118.16 124.22 3dhn n LYS 42 Ca -0.10 -2.50 -0.41 0.00 -2.87 0.00 0.00 58.31 52.43 3dhn n LYS 42 Cb 0.51 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 3dhn n LYS 42 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dhn s ILE 43 N -2.60 3.07 -0.25 -0.18 1.01 -1.26 -5.00 121.20 115.99 3dhn s ILE 43 Ca 0.30 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.86 3dhn s ILE 43 Cb 0.26 -3.58 0.04 0.00 0.01 0.00 0.00 42.46 39.19 3dhn s ILE 43 CO 0.04 0.15 -0.08 -0.70 0.00 0.00 0.00 174.94 174.35 3dhn s GLU 44 N -0.38 2.62 -0.28 2.79 2.12 -1.26 -5.07 118.70 119.24 3dhn s GLU 44 Ca 0.56 -1.11 -0.19 0.00 0.36 0.00 0.00 54.97 54.59 3dhn s GLU 44 Cb -0.38 -2.93 0.11 0.00 0.26 0.00 0.00 34.13 31.20 3dhn s GLU 44 CO 0.41 -0.46 0.89 1.21 -0.54 0.00 0.00 175.26 176.77 3dhn s ASN 45 N 1.25 -0.64 0.14 -1.70 3.84 -1.26 -5.04 114.94 111.53 3dhn s ASN 45 Ca -0.03 1.08 0.18 0.00 0.21 0.00 0.00 52.86 54.31 3dhn s ASN 45 Cb -0.18 1.20 0.78 0.00 -0.55 0.00 0.00 41.25 42.51 3dhn s ASN 45 CO -0.05 -0.18 1.55 -1.84 -2.79 0.00 0.00 177.10 173.80 3dhn n GLU 46 N 3.37 0.10 -0.73 0.43 0.28 -1.26 -2.09 120.64 120.75 3dhn n GLU 46 Ca -0.17 0.38 0.06 0.00 -0.16 0.00 0.00 57.16 57.27 3dhn n GLU 46 Cb 0.57 -1.71 0.33 0.00 1.43 0.00 0.00 31.44 32.07 3dhn n GLU 46 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3dhn n HIS 47 N -1.90 1.70 -4.65 -1.84 8.25 -1.26 -4.91 115.22 110.61 3dhn n HIS 47 Ca 0.02 -0.59 -0.24 0.00 -0.26 0.00 0.00 57.72 56.64 3dhn n HIS 47 Cb 0.17 -0.43 -0.16 0.00 1.12 0.00 0.00 29.99 30.69 3dhn n HIS 47 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3dhn s LEU 48 N -2.24 1.77 -0.07 2.41 2.96 -0.89 -0.51 118.68 122.12 3dhn s LEU 48 Ca 0.45 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3dhn s LEU 48 Cb 0.34 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 46.20 3dhn s LEU 48 CO 0.14 0.08 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.56 3dhn s LYS 49 N 0.36 1.94 -0.17 1.98 1.02 -0.41 -4.90 119.74 119.55 3dhn s LYS 49 Ca -0.09 -0.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.32 3dhn s LYS 49 Cb -0.13 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.57 3dhn s LYS 49 CO 0.03 0.10 -0.02 0.08 -0.92 0.00 0.00 175.35 174.62 3dhn s VAL 50 N 0.47 3.95 0.05 3.17 1.01 -1.26 -0.20 120.40 127.59 3dhn s VAL 50 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3dhn s VAL 50 Cb -0.15 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3dhn s VAL 50 CO 0.04 0.47 -0.05 -0.54 0.00 0.00 0.00 175.10 175.02 3dhn s LYS 51 N 0.61 0.55 -0.09 2.72 1.02 0.14 -4.97 119.74 119.72 3dhn s LYS 51 Ca -0.02 -0.98 -0.04 0.00 0.02 0.00 0.00 55.97 54.96 3dhn s LYS 51 Cb -0.14 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.13 3dhn s LYS 51 CO 0.02 -0.04 0.07 0.15 -0.92 0.00 0.00 175.35 174.63 3dhn s LYS 52 N -2.73 3.19 -0.03 1.68 1.02 -1.26 -1.60 119.74 120.01 3dhn s LYS 52 Ca -0.02 -0.29 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 3dhn s LYS 52 Cb -0.01 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 3dhn s LYS 52 CO -0.04 0.73 0.36 0.00 -0.92 0.00 0.00 175.35 175.48 3dhn s ALA 53 N -0.97 -0.93 -0.97 5.17 0.00 -1.26 -4.99 121.76 117.81 3dhn s ALA 53 Ca 0.15 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 3dhn s ALA 53 Cb -0.12 0.03 0.14 0.00 0.00 0.00 0.00 23.12 23.17 3dhn s ALA 53 CO 0.04 -0.27 1.16 0.34 0.00 0.00 0.00 175.76 177.02 3dhn s ASP 54 N -1.23 6.71 0.66 0.00 -1.08 -1.26 -4.87 116.67 115.61 3dhn s ASP 54 Ca -0.13 -2.24 0.18 0.00 -0.52 0.00 0.00 52.55 49.84 3dhn s ASP 54 Cb -0.04 -2.39 0.96 0.00 -1.46 0.00 0.00 42.92 39.99 3dhn s ASP 54 CO 0.05 -0.98 1.54 1.62 0.52 0.00 0.00 175.17 177.92 3dhn h VAL 55 N 5.57 0.01 -0.00 1.11 3.04 -1.98 0.89 116.25 124.89 3dhn h VAL 55 Ca 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 3dhn h VAL 55 Cb 1.00 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 3dhn h VAL 55 CO 1.11 0.00 -0.21 -1.54 -1.01 0.00 0.00 177.57 175.92 3dhn n SER 56 N -2.76 0.69 -4.49 3.17 3.41 -1.26 -4.48 113.62 107.91 3dhn n SER 56 Ca -0.01 -0.63 -0.39 0.00 -0.26 0.00 0.00 58.87 57.58 3dhn n SER 56 Cb 0.65 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.52 3dhn n SER 56 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dhn s SER 57 N -2.56 5.80 0.17 4.04 0.15 0.31 -4.99 113.70 116.62 3dhn s SER 57 Ca 0.24 -0.46 -0.14 0.00 0.70 0.00 0.00 55.95 56.29 3dhn s SER 57 Cb 0.19 -2.07 0.12 0.00 -1.71 0.00 0.00 66.02 62.56 3dhn s SER 57 CO 0.52 -0.21 1.74 0.25 1.20 0.00 0.00 173.24 176.74 3dhn h LEU 58 N 8.42 0.11 -1.33 3.45 5.85 -1.85 -1.68 115.31 128.27 3dhn h LEU 58 Ca -0.32 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 3dhn h LEU 58 Cb 1.15 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3dhn h LEU 58 CO 0.62 0.09 0.11 0.44 -0.34 0.00 0.00 178.44 179.36 3dhn h ASP 59 N 0.28 0.51 0.01 1.25 3.32 -1.94 -1.08 116.42 118.77 3dhn h ASP 59 Ca 0.20 -0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.96 3dhn h ASP 59 Cb 0.22 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3dhn h ASP 59 CO -0.23 0.51 -0.84 -0.33 -1.72 0.00 0.00 179.24 176.62 3dhn h GLU 60 N 0.55 0.67 -0.48 3.56 5.08 -1.71 -2.24 114.58 120.01 3dhn h GLU 60 Ca 0.13 -0.59 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 3dhn h GLU 60 Cb 0.19 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3dhn h GLU 60 CO -0.01 1.20 -0.02 0.28 -1.00 0.00 0.00 179.01 179.47 3dhn h VAL 61 N 0.43 1.26 -0.42 3.13 2.07 -1.08 -2.85 116.25 118.79 3dhn h VAL 61 Ca -0.07 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 3dhn h VAL 61 Cb 1.47 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 3dhn h VAL 61 CO 0.16 0.38 0.25 0.00 0.02 0.00 0.00 177.57 178.38 3dhn h GLU 63 N 0.55 0.52 0.00 0.00 4.57 -1.33 -2.99 114.58 115.91 3dhn h GLU 63 Ca 0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3dhn h GLU 63 Cb 0.01 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 3dhn h GLU 63 CO -0.03 0.40 -0.03 -0.24 -1.18 0.00 0.00 179.01 177.94 3dhn h VAL 64 N 0.50 0.06 0.00 0.32 3.04 -1.52 -3.16 116.25 115.49 3dhn h VAL 64 Ca 0.14 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3dhn h VAL 64 Cb 0.02 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.98 3dhn h VAL 64 CO -0.02 0.03 -0.57 0.00 -1.01 0.00 0.00 177.57 175.99 3dhn n LYS 66 N -1.56 2.07 0.00 0.00 5.02 -1.14 -2.09 118.16 120.45 3dhn n LYS 66 Ca 0.05 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 3dhn n LYS 66 Cb 0.35 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 3dhn n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dhn n GLY 67 N 3.20 2.82 3.77 0.72 0.00 -1.26 -5.04 105.19 109.40 3dhn n GLY 67 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3dhn n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhn s ALA 68 N -2.18 2.73 0.13 4.61 0.00 -0.89 -4.94 121.76 121.22 3dhn s ALA 68 Ca 0.00 0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.92 3dhn s ALA 68 Cb 0.00 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.56 3dhn s ALA 68 CO 0.00 -0.84 1.30 -0.44 0.00 0.00 0.00 175.76 175.77 3dhn h ASP 69 N 1.32 0.04 -4.88 0.00 3.45 -1.06 -3.45 116.42 111.85 3dhn h ASP 69 Ca -0.50 -0.04 0.02 0.00 0.43 0.00 0.00 57.03 56.93 3dhn h ASP 69 Cb 1.27 -0.01 -0.14 0.00 -0.56 0.00 0.00 39.33 39.89 3dhn h ASP 69 CO 0.57 1.00 0.30 0.00 -1.57 0.00 0.00 179.24 179.54 3dhn s ALA 70 N -2.79 -1.68 -0.04 3.45 0.00 -1.19 -4.41 121.76 115.10 3dhn s ALA 70 Ca 0.00 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3dhn s ALA 70 Cb 0.10 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3dhn s ALA 70 CO 0.82 -0.71 -0.13 0.08 0.00 0.00 0.00 175.76 175.83 3dhn s VAL 71 N -3.34 1.08 -0.10 0.00 1.01 -0.79 -2.43 120.40 115.82 3dhn s VAL 71 Ca 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3dhn s VAL 71 Cb -0.01 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 3dhn s VAL 71 CO -0.10 0.33 -0.22 -0.63 0.00 0.00 0.00 175.10 174.47 3dhn s ILE 72 N 0.20 2.23 -0.16 2.22 1.01 -0.42 -0.84 121.20 125.45 3dhn s ILE 72 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3dhn s ILE 72 Cb -0.11 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.50 3dhn s ILE 72 CO 0.02 0.56 -0.16 -0.55 0.00 0.00 0.00 174.94 174.80 3dhn s SER 73 N 0.27 3.56 -0.22 3.58 0.15 -0.17 -0.99 113.70 119.87 3dhn s SER 73 Ca -0.16 -0.50 0.13 0.00 0.70 0.00 0.00 55.95 56.12 3dhn s SER 73 Cb -0.17 -1.54 0.46 0.00 -1.71 0.00 0.00 66.02 63.06 3dhn s SER 73 CO 0.08 0.07 1.37 0.00 1.20 0.00 0.00 173.24 175.96 3dhn n ALA 74 N 4.14 3.54 -1.72 5.45 0.00 0.14 -1.61 120.51 130.44 3dhn n ALA 74 Ca -0.19 -2.87 -0.43 0.00 0.00 0.00 0.00 53.44 49.95 3dhn n ALA 74 Cb 0.51 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 3dhn n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dhn n PHE 75 N -1.02 2.66 -3.63 0.00 7.35 -1.21 -4.80 117.46 116.82 3dhn n PHE 75 Ca 0.25 0.30 -0.15 0.00 -0.76 0.00 0.00 57.45 57.10 3dhn n PHE 75 Cb 0.89 -2.56 -0.07 0.00 0.35 0.00 0.00 39.48 38.08 3dhn n PHE 75 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 3dhn s ASN 76 N 0.45 -0.68 0.00 -2.13 2.47 -1.26 -5.01 114.94 108.78 3dhn s ASN 76 Ca 0.65 1.20 0.00 0.00 0.42 0.00 0.00 52.86 55.13 3dhn s ASN 76 Cb -0.54 1.19 0.00 0.00 -1.45 0.00 0.00 41.25 40.45 3dhn s ASN 76 CO 0.49 -0.31 0.00 -0.81 -3.72 0.00 0.00 177.10 172.75 3dhn n PRO 77 N 2.35 0.00 0.00 0.43 -0.04 -1.26 -5.15 135.00 131.33 3dhn n PRO 77 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3dhn n PRO 77 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3dhn n PRO 77 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3dhn n ILE 84 N 0.00 0.00 -3.14 0.52 0.13 -1.26 -4.91 119.36 110.71 3dhn n ILE 84 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.60 3dhn n ILE 84 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 38.78 3dhn n ILE 84 CO 0.00 0.00 0.00 -0.72 2.80 0.00 0.00 176.55 178.63 3dhn s TYR 85 N 0.00 -1.26 0.00 9.51 -0.00 -1.26 -4.77 117.35 119.57 3dhn s TYR 85 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 57.07 56.76 3dhn s TYR 85 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 41.96 42.07 3dhn s TYR 85 CO 0.00 -1.14 0.00 -0.40 -0.00 0.00 0.00 175.55 174.01 3dhn n ASP 86 N 3.92 0.00 0.12 -0.18 5.75 -1.26 -4.71 116.55 120.20 3dhn n ASP 86 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.68 3dhn n ASP 86 Cb 0.54 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.47 3dhn n ASP 86 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3dhn h GLU 87 N 0.00 0.48 0.66 0.11 3.07 -1.99 -3.12 114.58 113.79 3dhn h GLU 87 Ca 0.00 -0.82 -0.03 0.00 -0.50 0.00 0.00 59.36 58.01 3dhn h GLU 87 Cb 0.00 0.31 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3dhn h GLU 87 CO 0.00 1.39 -0.32 1.15 -1.40 0.00 0.00 179.01 179.84 3dhn h THR 88 N 0.07 0.33 -0.99 1.13 2.02 -1.86 -1.74 112.91 111.88 3dhn h THR 88 Ca -0.27 -0.08 0.24 0.00 0.77 0.00 0.00 66.41 67.08 3dhn h THR 88 Cb 2.09 0.36 -0.13 0.00 -1.74 0.00 0.00 68.15 68.73 3dhn h THR 88 CO 0.24 0.01 0.56 0.40 0.37 0.00 0.00 175.52 177.10 3dhn h ILE 89 N -0.94 0.52 -0.74 3.11 1.08 -1.86 0.30 117.51 118.98 3dhn h ILE 89 Ca -0.09 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 3dhn h ILE 89 Cb 0.70 -0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 3dhn h ILE 89 CO 0.15 0.10 0.38 0.11 -0.69 0.00 0.00 178.15 178.20 3dhn h LYS 90 N 0.54 1.04 -0.09 2.37 1.79 -1.36 -2.56 116.57 118.30 3dhn h LYS 90 Ca 0.64 -0.13 -0.19 0.00 -2.18 0.00 0.00 60.65 58.79 3dhn h LYS 90 Cb 1.22 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.66 3dhn h LYS 90 CO -0.49 0.78 -0.74 0.28 -1.08 0.00 0.00 179.45 178.20 3dhn h VAL 91 N 1.04 1.36 -0.83 0.50 2.07 0.43 -2.53 116.25 118.29 3dhn h VAL 91 Ca 0.26 -2.10 0.01 0.00 0.82 0.00 0.00 66.70 65.69 3dhn h VAL 91 Cb 0.06 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3dhn h VAL 91 CO -0.04 0.64 0.55 1.88 0.02 0.00 0.00 177.57 180.62 3dhn h TYR 92 N 0.33 1.03 -0.16 1.57 0.05 -0.97 -2.43 116.97 116.39 3dhn h TYR 92 Ca -0.03 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3dhn h TYR 92 Cb 1.32 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 3dhn h TYR 92 CO 0.05 0.64 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.67 3dhn h LEU 93 N 1.11 0.34 -1.28 3.88 3.38 -1.36 -3.07 115.31 118.31 3dhn h LEU 93 Ca 0.31 -0.40 0.10 0.00 0.09 0.00 0.00 57.88 57.98 3dhn h LEU 93 Cb -0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3dhn h LEU 93 CO -0.07 0.66 0.55 0.74 0.09 0.00 0.00 178.44 180.40 3dhn h THR 94 N 0.02 0.95 0.26 0.22 2.02 -1.16 -1.08 112.91 114.14 3dhn h THR 94 Ca 0.04 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3dhn h THR 94 Cb 0.53 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3dhn h THR 94 CO 0.02 0.14 -0.12 0.40 0.37 0.00 0.00 175.52 176.33 3dhn h ILE 95 N 0.79 0.79 -0.31 3.11 2.04 -1.40 0.15 117.51 122.68 3dhn h ILE 95 Ca 0.39 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 3dhn h ILE 95 Cb 0.45 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3dhn h ILE 95 CO -0.16 0.10 -0.12 -0.29 0.00 0.00 0.00 178.15 177.68 3dhn h ILE 96 N -0.60 1.23 0.00 -0.67 2.10 -1.41 -0.64 117.51 117.52 3dhn h ILE 96 Ca -0.04 -1.04 -0.12 0.00 1.08 0.00 0.00 64.86 64.75 3dhn h ILE 96 Cb 0.43 1.13 -0.02 0.00 -1.09 0.00 0.00 36.82 37.28 3dhn h ILE 96 CO 0.06 0.34 -0.56 0.44 -1.08 0.00 0.00 178.15 177.35 3dhn h ASP 97 N 0.49 0.00 0.04 2.19 3.32 -1.19 -1.30 116.42 119.97 3dhn h ASP 97 Ca 0.09 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 3dhn h ASP 97 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3dhn h ASP 97 CO 0.03 0.56 -0.63 1.23 -1.72 0.00 0.00 179.24 178.71 3dhn h GLY 98 N 1.92 0.62 1.27 2.75 0.00 -0.21 -1.85 103.07 107.58 3dhn h GLY 98 Ca -0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.42 3dhn h GLY 98 CO 0.07 0.70 -0.25 -2.08 0.00 0.00 0.00 176.54 174.99 3dhn h VAL 99 N 0.42 1.27 -0.33 4.60 2.07 -0.88 -2.80 116.25 120.61 3dhn h VAL 99 Ca -0.01 -1.39 -0.13 0.00 0.82 0.00 0.00 66.70 66.00 3dhn h VAL 99 Cb 1.19 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3dhn h VAL 99 CO 0.12 0.46 -0.30 0.11 0.02 0.00 0.00 177.57 177.99 3dhn h LYS 100 N 0.71 0.79 0.00 1.57 1.57 -1.16 -2.92 116.57 117.12 3dhn h LYS 100 Ca 0.09 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3dhn h LYS 100 Cb 0.78 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3dhn h LYS 100 CO 0.06 1.03 0.00 -0.22 -0.57 0.00 0.00 179.45 179.76 3dhn h LYS 101 N 0.56 0.00 0.00 3.15 3.64 -1.28 -1.44 116.57 121.20 3dhn h LYS 101 Ca 0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3dhn h LYS 101 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3dhn h LYS 101 CO 0.08 0.00 -0.36 0.00 -2.27 0.00 0.00 179.45 176.90 3dhn n ALA 102 N -1.94 2.73 -0.24 5.00 0.00 -1.06 -4.96 120.51 120.04 3dhn n ALA 102 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3dhn n ALA 102 Cb 0.18 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3dhn n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhn n GLY 103 N 1.36 0.77 3.78 0.00 0.00 -0.54 -4.59 105.19 105.96 3dhn n GLY 103 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3dhn n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dhn s VAL 104 N -2.21 4.21 -1.86 1.61 -7.23 -1.21 -4.98 120.40 108.74 3dhn s VAL 104 Ca 0.00 1.84 0.23 0.00 -1.81 0.00 0.00 61.98 62.24 3dhn s VAL 104 Cb 0.00 -4.08 -0.02 0.00 0.56 0.00 0.00 36.38 32.84 3dhn s VAL 104 CO 0.00 0.25 1.10 0.59 -0.31 0.00 0.00 175.10 176.73 3dhn n ASN 105 N 0.85 1.80 -3.89 4.85 3.02 -1.26 -4.69 115.26 115.93 3dhn n ASN 105 Ca 0.00 -1.38 -0.24 0.00 -0.03 0.00 0.00 54.58 52.92 3dhn n ASN 105 Cb 0.49 0.53 -0.17 0.00 -0.61 0.00 0.00 39.78 40.02 3dhn n ASN 105 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3dhn s ARG 106 N -2.56 1.22 -0.08 3.52 6.06 -1.26 -1.55 118.95 124.31 3dhn s ARG 106 Ca 0.17 -0.17 -0.00 0.00 -2.50 0.00 0.00 55.73 53.24 3dhn s ARG 106 Cb 0.18 -1.29 0.02 0.00 0.06 0.00 0.00 34.95 33.92 3dhn s ARG 106 CO 0.61 -0.20 -0.05 0.12 -2.50 0.00 0.00 175.30 173.28 3dhn s PHE 107 N 1.49 1.06 0.52 5.12 5.36 -0.56 -1.89 117.98 129.08 3dhn s PHE 107 Ca -0.01 -0.42 0.04 0.00 -0.96 0.00 0.00 56.93 55.58 3dhn s PHE 107 Cb -0.13 -0.95 0.01 0.00 -0.34 0.00 0.00 43.02 41.61 3dhn s PHE 107 CO -0.04 -0.35 0.20 -0.51 -1.46 0.00 0.00 175.22 173.06 3dhn s LEU 108 N 1.47 2.54 -0.17 6.12 1.02 -0.02 -1.50 118.68 128.13 3dhn s LEU 108 Ca -0.01 -1.43 0.01 0.00 0.02 0.00 0.00 54.13 52.72 3dhn s LEU 108 Cb -0.13 -0.99 0.03 0.00 0.02 0.00 0.00 46.19 45.11 3dhn s LEU 108 CO -0.04 -0.95 -0.15 -0.69 0.02 0.00 0.00 176.35 174.54 3dhn s VAL 110 N -2.81 1.77 0.00 -1.59 1.01 -0.63 -0.99 120.40 117.15 3dhn s VAL 110 Ca 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3dhn s VAL 110 Cb -0.00 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.69 3dhn s VAL 110 CO 0.13 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3dhn n GLY 111 N 4.69 1.68 3.47 4.51 0.00 -0.28 -4.86 105.19 114.39 3dhn n GLY 111 Ca -0.18 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.62 3dhn n GLY 111 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dhn s GLY 112 N -0.83 2.67 0.01 -0.02 0.00 -1.26 -4.45 107.32 103.43 3dhn s GLY 112 Ca 0.00 -1.34 0.22 0.00 0.00 0.00 0.00 44.72 43.60 3dhn s GLY 112 CO 0.00 -1.75 0.99 0.00 0.00 0.00 0.00 173.10 172.34 3dhn n ALA 113 N -0.89 4.07 -0.33 3.20 0.00 -1.26 -4.20 120.51 121.09 3dhn n ALA 113 Ca -0.03 -0.50 0.10 0.00 0.00 0.00 0.00 53.44 53.01 3dhn n ALA 113 Cb 0.64 -0.88 0.27 0.00 0.00 0.00 0.00 19.45 19.48 3dhn n ALA 113 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dhn h GLY 114 N 4.81 1.60 0.92 0.00 0.00 -1.93 -1.78 103.07 106.68 3dhn h GLY 114 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3dhn h GLY 114 CO 0.00 -0.04 -0.03 -1.14 0.00 0.00 0.00 176.54 175.33 3dhn n SER 115 N -4.81 0.32 -4.79 0.19 3.41 -1.26 -2.69 113.62 103.99 3dhn n SER 115 Ca 0.20 -0.75 -0.35 0.00 -0.26 0.00 0.00 58.87 57.71 3dhn n SER 115 Cb 0.50 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3dhn n SER 115 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dhn s LEU 116 N -2.26 3.96 0.15 1.04 1.43 -0.67 -4.80 118.68 117.52 3dhn s LEU 116 Ca 0.37 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 55.22 3dhn s LEU 116 Cb 0.21 -4.41 -0.08 0.00 0.03 0.00 0.00 46.19 41.94 3dhn s LEU 116 CO 0.42 -0.71 0.77 -0.36 0.23 0.00 0.00 176.35 176.70 3dhn s PHE 117 N -1.83 3.89 -0.22 0.29 0.08 -0.53 -1.20 117.98 118.46 3dhn s PHE 117 Ca 0.64 1.62 0.06 0.00 0.12 0.00 0.00 56.93 59.37 3dhn s PHE 117 Cb -0.19 -2.77 -0.08 0.00 -0.57 0.00 0.00 43.02 39.41 3dhn s PHE 117 CO 0.24 0.49 0.23 0.44 -0.10 0.00 0.00 175.22 176.52 3dhn n ILE 118 N 1.73 0.00 -3.62 0.64 -5.35 -0.51 -4.58 119.36 107.68 3dhn n ILE 118 Ca -0.05 -0.30 -0.09 0.00 -0.27 0.00 0.00 62.75 62.03 3dhn n ILE 118 Cb 0.49 0.83 -0.02 0.00 -1.74 0.00 0.00 39.64 39.20 3dhn n ILE 118 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dhn s ALA 119 N -1.80 -1.45 0.15 -1.28 0.00 -1.21 -5.04 121.76 111.12 3dhn s ALA 119 Ca 0.01 0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.80 3dhn s ALA 119 Cb 0.05 0.85 -0.13 0.00 0.00 0.00 0.00 23.12 23.88 3dhn s ALA 119 CO 0.26 -0.89 1.67 -2.30 0.00 0.00 0.00 175.76 174.50 3dhn n PRO 120 N -0.41 2.40 -0.99 0.00 -0.02 -1.26 -1.62 135.00 133.11 3dhn n PRO 120 Ca -0.11 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3dhn n PRO 120 Cb 0.62 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3dhn n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhn n GLY 121 N 3.74 0.13 3.01 -1.23 0.00 -1.26 -4.97 105.19 104.60 3dhn n GLY 121 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3dhn n GLY 121 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dhn s LEU 122 N 0.00 2.21 0.27 0.99 2.96 -0.64 -5.10 118.68 119.37 3dhn s LEU 122 Ca 0.00 -0.82 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 3dhn s LEU 122 Cb 0.00 -1.26 -0.06 0.00 0.50 0.00 0.00 46.19 45.37 3dhn s LEU 122 CO 0.00 -0.12 0.55 -0.13 -1.32 0.00 0.00 176.35 175.33 3dhn s ARG 123 N 1.39 3.69 0.00 1.98 0.52 -1.26 -1.42 118.95 123.85 3dhn s ARG 123 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 3dhn s ARG 123 Cb -0.15 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.67 3dhn s ARG 123 CO -0.09 0.25 0.00 -0.11 0.02 0.00 0.00 175.30 175.37 3dhn n LEU 124 N -0.66 0.00 0.00 2.53 7.94 -0.34 -2.95 117.00 123.52 3dhn n LEU 124 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3dhn n LEU 124 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3dhn n LEU 124 CO 0.47 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 177.22 3dhn n ASP 126 N 1.26 0.00 0.02 1.96 8.00 -1.26 -4.14 116.55 122.38 3dhn n ASP 126 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 3dhn n ASP 126 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 3dhn n ASP 126 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3dhn n SER 127 N 0.00 0.72 0.00 -2.24 3.41 -1.15 -4.97 113.62 109.38 3dhn n SER 127 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3dhn n SER 127 Cb 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3dhn n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dhn n GLY 128 N 1.42 0.67 0.01 5.00 0.00 -1.26 -4.93 105.19 106.10 3dhn n GLY 128 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.04 3dhn n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dhn n GLU 129 N -2.04 0.12 -3.03 1.61 -0.58 -1.26 -4.83 120.64 110.63 3dhn n GLU 129 Ca 0.00 -0.03 -0.40 0.00 -0.42 0.00 0.00 57.16 56.31 3dhn n GLU 129 Cb 0.00 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 3dhn n GLU 129 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3dhn s VAL 130 N -2.90 4.85 0.20 2.62 1.01 -1.26 -5.01 120.40 119.91 3dhn s VAL 130 Ca 0.17 1.53 -0.33 0.00 0.00 0.00 0.00 61.98 63.35 3dhn s VAL 130 Cb 0.19 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 32.37 3dhn s VAL 130 CO 0.55 0.34 1.55 -2.65 0.00 0.00 0.00 175.10 174.90 3dhn n PRO 131 N 3.08 2.25 -0.31 2.72 -0.02 -1.26 -4.85 135.00 136.61 3dhn n PRO 131 Ca -0.03 0.81 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3dhn n PRO 131 Cb 0.51 -2.56 0.31 0.00 -0.02 0.00 0.00 33.50 31.73 3dhn n PRO 131 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dhn h GLU 132 N 5.48 0.41 0.00 -0.52 5.08 -1.94 -2.09 114.58 121.00 3dhn h GLU 132 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3dhn h GLU 132 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dhn h GLU 132 CO 0.85 0.27 0.00 -0.97 -1.00 0.00 0.00 179.01 178.16 3dhn h ASN 133 N 0.42 0.00 0.00 1.42 -0.73 -2.05 -3.07 115.58 111.57 3dhn h ASN 133 Ca 0.56 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.73 3dhn h ASN 133 Cb 1.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.63 3dhn h ASN 133 CO -0.52 0.00 0.00 2.30 -0.37 0.00 0.00 177.43 178.84 3dhn n ILE 134 N -2.86 0.33 -0.23 2.57 -5.35 -0.80 -4.79 119.36 108.23 3dhn n ILE 134 Ca -0.02 -0.66 0.02 0.00 -0.27 0.00 0.00 62.75 61.82 3dhn n ILE 134 Cb 0.12 0.85 0.14 0.00 -1.74 0.00 0.00 39.64 39.00 3dhn n ILE 134 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3dhn h LEU 135 N 0.00 0.32 -0.50 7.28 5.85 -1.42 -2.38 115.31 124.47 3dhn h LEU 135 Ca 0.00 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.89 3dhn h LEU 135 Cb 0.17 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 3dhn h LEU 135 CO 0.00 0.18 0.01 -0.65 -0.34 0.00 0.00 178.44 177.64 3dhn h PRO 136 N 0.49 0.13 -0.24 5.25 0.11 -1.86 -0.15 132.00 135.72 3dhn h PRO 136 Ca 0.35 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.31 3dhn h PRO 136 Cb 0.43 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3dhn h PRO 136 CO -0.31 0.08 -0.43 0.78 -0.21 0.00 0.00 178.00 177.91 3dhn h GLY 137 N 0.13 0.64 1.00 -0.55 0.00 -1.86 -2.70 103.07 99.73 3dhn h GLY 137 Ca 0.25 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3dhn h GLY 137 CO -0.41 0.60 0.26 -2.08 0.00 0.00 0.00 176.54 174.91 3dhn h VAL 138 N 0.48 1.23 -0.73 4.60 2.07 -0.87 -2.36 116.25 120.66 3dhn h VAL 138 Ca 0.04 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3dhn h VAL 138 Cb 0.95 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3dhn h VAL 138 CO 0.09 0.27 0.25 0.11 0.02 0.00 0.00 177.57 178.31 3dhn h LYS 139 N 0.84 1.12 -0.61 1.57 1.57 -0.97 -1.93 116.57 118.16 3dhn h LYS 139 Ca 0.20 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 3dhn h LYS 139 Cb 0.18 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3dhn h LYS 139 CO -0.02 0.94 0.03 0.00 -0.57 0.00 0.00 179.45 179.83 3dhn h ALA 140 N 1.13 0.81 -0.39 3.86 0.00 -1.30 0.62 119.26 123.99 3dhn h ALA 140 Ca 0.24 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3dhn h ALA 140 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dhn h ALA 140 CO -0.01 0.63 -0.37 1.25 0.00 0.00 0.00 179.25 180.74 3dhn h LEU 141 N 0.95 1.00 -0.90 0.00 5.85 -1.33 -1.94 115.31 118.93 3dhn h LEU 141 Ca 0.18 -0.45 -0.10 0.00 0.84 0.00 0.00 57.88 58.34 3dhn h LEU 141 Cb 0.52 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3dhn h LEU 141 CO 0.03 1.25 -0.28 1.23 -0.34 0.00 0.00 178.44 180.32 3dhn h GLY 142 N 0.79 0.51 1.75 3.75 0.00 -1.15 -2.92 103.07 105.80 3dhn h GLY 142 Ca 0.06 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 3dhn h GLY 142 CO 0.09 0.40 -0.57 -2.09 0.00 0.00 0.00 176.54 174.37 3dhn h GLU 143 N 0.41 0.27 -0.23 4.80 4.57 -0.73 -2.16 114.58 121.52 3dhn h GLU 143 Ca 0.06 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3dhn h GLU 143 Cb 0.71 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 3dhn h GLU 143 CO 0.05 0.77 0.11 0.35 -1.18 0.00 0.00 179.01 179.11 3dhn h PHE 144 N 0.20 0.33 0.35 0.92 3.57 -1.16 0.57 116.94 121.72 3dhn h PHE 144 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3dhn h PHE 144 Cb 1.07 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3dhn h PHE 144 CO 0.02 0.33 -0.17 -0.92 -2.23 0.00 0.00 178.31 175.34 3dhn h TYR 145 N 0.23 -0.43 -0.69 0.41 3.20 -1.49 0.32 116.97 118.52 3dhn h TYR 145 Ca 0.08 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3dhn h TYR 145 Cb 0.13 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3dhn h TYR 145 CO -0.02 -0.19 0.38 -0.07 -1.64 0.00 0.00 178.16 176.62 3dhn h LEU 146 N -0.60 0.86 -0.17 2.82 4.07 -1.36 -2.66 115.31 118.27 3dhn h LEU 146 Ca -0.05 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.82 3dhn h LEU 146 Cb 0.44 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3dhn h LEU 146 CO 0.08 0.70 -0.89 0.59 -1.08 0.00 0.00 178.44 177.84 3dhn n ASN 147 N -4.51 1.15 0.04 -0.43 3.02 0.19 -4.78 115.26 109.94 3dhn n ASN 147 Ca 0.06 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3dhn n ASN 147 Cb 0.09 0.91 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 3dhn n ASN 147 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3dhn n PHE 148 N -1.24 -0.39 -0.00 3.10 3.01 0.02 -4.82 117.46 117.15 3dhn n PHE 148 Ca 0.05 0.07 -0.00 0.00 1.01 0.00 0.00 57.45 58.58 3dhn n PHE 148 Cb 0.35 0.15 -0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3dhn n PHE 148 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3dhn n LEU 149 N -3.21 0.03 0.00 4.37 4.77 -0.74 -3.05 117.00 119.17 3dhn n LEU 149 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3dhn n LEU 149 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3dhn n LEU 149 CO 0.00 -0.08 0.00 0.29 -1.33 0.00 0.00 177.39 176.27 3dhn n LYS 151 N 2.16 0.00 -2.51 3.23 5.02 -1.26 -4.84 118.16 119.96 3dhn n LYS 151 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3dhn n LYS 151 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 3dhn n LYS 151 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3dhn s GLU 152 N 0.00 4.43 0.00 1.97 2.56 -1.17 -4.90 118.70 121.59 3dhn s GLU 152 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 54.97 56.61 3dhn s GLU 152 Cb 0.00 -3.46 0.00 0.00 2.00 0.00 0.00 34.13 32.67 3dhn s GLU 152 CO 0.00 -0.29 0.16 1.63 -0.56 0.00 0.00 175.26 176.20 3dhn n LYS 153 N 4.45 0.74 -0.36 4.30 5.02 -1.26 -4.80 118.16 126.24 3dhn n LYS 153 Ca 0.09 -0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.28 3dhn n LYS 153 Cb 0.47 -0.57 0.21 0.00 -0.02 0.00 0.00 35.03 35.12 3dhn n LYS 153 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3dhn n GLU 154 N -0.15 2.60 -3.49 1.97 1.02 -1.26 -4.87 120.64 116.45 3dhn n GLU 154 Ca 0.00 -1.64 -0.14 0.00 -0.02 0.00 0.00 57.16 55.36 3dhn n GLU 154 Cb 0.09 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 29.83 3dhn n GLU 154 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3dhn s ILE 155 N -1.72 0.00 -0.78 -3.67 2.07 -1.26 -5.03 121.20 110.80 3dhn s ILE 155 Ca 0.29 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.33 3dhn s ILE 155 Cb 0.19 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.89 3dhn s ILE 155 CO 0.14 0.00 0.99 -0.62 -1.91 0.00 0.00 174.94 173.54 3dhn s ASP 156 N -1.80 6.40 0.18 4.50 2.15 -0.59 -4.81 116.67 122.71 3dhn s ASP 156 Ca -0.05 -1.61 0.03 0.00 0.43 0.00 0.00 52.55 51.35 3dhn s ASP 156 Cb -0.00 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3dhn s ASP 156 CO 0.00 -1.18 0.31 -1.66 -0.17 0.00 0.00 175.17 172.47 3dhn s TRP 157 N 3.06 3.47 -0.08 -5.34 1.48 -1.26 -1.49 118.94 118.78 3dhn s TRP 157 Ca 0.25 0.07 -0.03 0.00 -1.06 0.00 0.00 56.10 55.32 3dhn s TRP 157 Cb -0.12 -1.63 0.05 0.00 -1.16 0.00 0.00 33.47 30.60 3dhn s TRP 157 CO -0.00 0.49 0.16 0.08 -4.06 0.00 0.00 176.95 173.62 3dhn s VAL 158 N -1.83 -0.20 -0.31 -0.66 1.01 -0.56 -0.33 120.40 117.52 3dhn s VAL 158 Ca 0.34 0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 3dhn s VAL 158 Cb -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 3dhn s VAL 158 CO 0.29 0.12 0.14 0.12 0.00 0.00 0.00 175.10 175.77 3dhn s PHE 159 N 1.91 3.18 -0.55 5.22 5.36 -0.75 -4.41 117.98 127.93 3dhn s PHE 159 Ca -0.01 -0.69 -0.15 0.00 -0.96 0.00 0.00 56.93 55.12 3dhn s PHE 159 Cb -0.12 -2.34 0.14 0.00 -0.34 0.00 0.00 43.02 40.36 3dhn s PHE 159 CO -0.06 -0.50 0.50 0.12 -1.46 0.00 0.00 175.22 173.82 3dhn s PHE 160 N 1.58 3.32 -0.35 10.12 5.36 -1.26 -2.00 117.98 134.74 3dhn s PHE 160 Ca 0.04 -1.44 -0.29 0.00 -0.96 0.00 0.00 56.93 54.28 3dhn s PHE 160 Cb -0.17 -3.75 0.01 0.00 -0.34 0.00 0.00 43.02 38.77 3dhn s PHE 160 CO 0.05 -1.01 1.23 -1.12 -1.46 0.00 0.00 175.22 172.91 3dhn s SER 161 N 3.33 6.68 1.05 6.13 0.01 -0.29 -1.13 113.70 129.48 3dhn s SER 161 Ca 0.05 0.98 -0.16 0.00 1.31 0.00 0.00 55.95 58.12 3dhn s SER 161 Cb -0.28 -2.54 0.22 0.00 0.21 0.00 0.00 66.02 63.63 3dhn s SER 161 CO 0.01 -1.11 1.18 -2.16 0.41 0.00 0.00 173.24 171.57 3dhn s PRO 162 N 4.21 -0.03 0.76 12.44 0.04 -1.26 -3.31 135.00 147.85 3dhn s PRO 162 Ca 0.53 -0.05 -0.11 0.00 0.04 0.00 0.00 61.00 61.41 3dhn s PRO 162 Cb -0.13 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.72 3dhn s PRO 162 CO 0.24 -2.92 1.08 0.00 0.04 0.00 0.00 177.00 175.45 3dhn s ALA 163 N -3.32 2.31 0.44 8.56 0.00 -1.23 -4.26 121.76 124.26 3dhn s ALA 163 Ca 0.70 0.20 0.18 0.00 0.00 0.00 0.00 51.96 53.04 3dhn s ALA 163 Cb -0.10 -3.24 1.12 0.00 0.00 0.00 0.00 23.12 20.90 3dhn s ALA 163 CO 0.55 -1.68 1.92 0.00 0.00 0.00 0.00 175.76 176.54 3dhn h ALA 164 N -1.06 2.22 -2.60 0.00 0.00 -1.89 -3.45 119.26 112.48 3dhn h ALA 164 Ca -0.44 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 53.92 3dhn h ALA 164 Cb 1.23 -0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 3dhn h ALA 164 CO 0.53 -0.43 -0.77 0.34 0.00 0.00 0.00 179.25 178.92 3dhn s ASP 165 N -5.91 3.03 0.00 0.00 2.15 -0.61 -4.98 116.67 110.36 3dhn s ASP 165 Ca -0.07 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 51.96 3dhn s ASP 165 Cb 0.21 -0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.62 3dhn s ASP 165 CO 0.77 -0.02 0.00 0.54 -0.17 0.00 0.00 175.17 176.28 3dhn n ARG 167 N -0.13 0.00 -1.86 4.34 1.74 -1.18 -2.33 116.66 117.24 3dhn n ARG 167 Ca -0.10 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.58 3dhn n ARG 167 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.03 3dhn n ARG 167 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3dhn s PRO 168 N -2.09 4.01 0.00 5.56 0.02 -1.26 -1.13 135.00 140.11 3dhn s PRO 168 Ca 0.00 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3dhn s PRO 168 Cb 0.00 -2.87 0.00 0.00 0.02 0.00 0.00 34.50 31.65 3dhn s PRO 168 CO 0.00 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3dhn n GLY 169 N 0.55 3.54 3.60 0.52 0.00 -1.26 -4.82 105.19 107.32 3dhn n GLY 169 Ca 0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 3dhn n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhn s VAL 170 N 0.65 3.46 -0.93 1.61 1.01 -1.26 -4.86 120.40 120.08 3dhn s VAL 170 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 3dhn s VAL 170 Cb 0.00 -2.65 0.15 0.00 0.00 0.00 0.00 36.38 33.88 3dhn s VAL 170 CO 0.00 0.04 1.07 -0.60 0.00 0.00 0.00 175.10 175.62 3dhn s ARG 171 N -2.43 3.63 0.05 2.72 3.52 -1.26 -4.25 118.95 120.94 3dhn s ARG 171 Ca 0.23 -1.95 -0.03 0.00 -0.13 0.00 0.00 55.73 53.86 3dhn s ARG 171 Cb -0.11 -4.83 -0.28 0.00 -1.56 0.00 0.00 34.95 28.18 3dhn s ARG 171 CO 0.15 -1.68 1.05 1.79 -0.81 0.00 0.00 175.30 175.80 3dhn h THR 172 N 5.56 1.39 0.00 4.11 1.35 -1.97 -3.48 112.91 119.87 3dhn h THR 172 Ca 0.16 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 3dhn h THR 172 Cb 1.02 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 70.31 3dhn h THR 172 CO 1.04 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 177.79 3dhn n GLY 173 N 1.57 0.92 3.14 5.82 0.00 -1.26 -5.01 105.19 110.37 3dhn n GLY 173 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3dhn n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhn s ARG 174 N -0.16 3.02 0.07 1.61 0.52 -1.26 -5.09 118.95 117.66 3dhn s ARG 174 Ca 0.00 -0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 54.12 3dhn s ARG 174 Cb 0.00 -2.58 0.09 0.00 0.52 0.00 0.00 34.95 32.98 3dhn s ARG 174 CO 0.00 -0.18 1.14 1.52 0.02 0.00 0.00 175.30 177.79 3dhn s TYR 175 N 1.24 -0.07 -0.12 -0.53 -0.85 -1.26 -4.90 117.35 110.85 3dhn s TYR 175 Ca 0.03 -0.13 -0.06 0.00 -0.52 0.00 0.00 57.07 56.39 3dhn s TYR 175 Cb -0.13 0.59 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 3dhn s TYR 175 CO -0.11 -0.54 0.12 0.50 -1.52 0.00 0.00 175.55 173.99 3dhn s ARG 176 N -2.77 3.45 -0.16 -3.49 6.06 -0.53 -4.98 118.95 116.53 3dhn s ARG 176 Ca 0.14 -0.19 -0.04 0.00 -2.50 0.00 0.00 55.73 53.14 3dhn s ARG 176 Cb 0.02 -3.15 -0.03 0.00 0.06 0.00 0.00 34.95 31.85 3dhn s ARG 176 CO -0.01 0.71 -0.02 -0.51 -2.50 0.00 0.00 175.30 172.97 3dhn s LEU 177 N -0.85 3.32 0.00 -0.88 1.43 -1.26 -2.15 118.68 118.29 3dhn s LEU 177 Ca 0.14 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3dhn s LEU 177 Cb -0.12 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3dhn s LEU 177 CO 0.03 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.39 3dhn n GLY 178 N 3.56 4.35 0.00 -3.19 0.00 0.11 -4.97 105.19 105.04 3dhn n GLY 178 Ca -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.77 3dhn n GLY 178 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3dhn n LYS 179 N 0.00 0.00 -0.00 1.61 4.81 -1.26 -1.71 118.16 121.60 3dhn n LYS 179 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 3dhn n LYS 179 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 3dhn n LYS 179 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3dhn n ASP 180 N -0.00 0.62 0.00 3.14 8.00 -1.26 -3.48 116.55 123.57 3dhn n ASP 180 Ca 0.00 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.69 3dhn n ASP 180 Cb 0.00 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 3dhn n ASP 180 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dhn n ASP 181 N -1.31 0.00 -3.68 -2.24 8.00 -1.26 -1.46 116.55 114.60 3dhn n ASP 181 Ca 0.02 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.36 3dhn n ASP 181 Cb 0.20 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.15 3dhn n ASP 181 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dhn s ILE 183 N 2.68 -0.19 0.21 0.53 -1.09 -1.26 -4.85 121.20 117.23 3dhn s ILE 183 Ca 0.00 0.34 0.11 0.00 -2.23 0.00 0.00 60.65 58.87 3dhn s ILE 183 Cb 0.00 -0.25 -0.05 0.00 -1.58 0.00 0.00 42.46 40.59 3dhn s ILE 183 CO 0.00 0.14 -0.21 0.68 -1.23 0.00 0.00 174.94 174.32 3dhn s VAL 184 N 2.05 2.24 0.43 2.92 -7.23 -1.26 -4.29 120.40 115.27 3dhn s VAL 184 Ca 0.01 -2.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.04 3dhn s VAL 184 Cb -0.12 -2.11 0.09 0.00 0.56 0.00 0.00 36.38 34.80 3dhn s VAL 184 CO -0.05 -0.26 0.59 -0.90 -0.31 0.00 0.00 175.10 174.18 3dhn n ASP 185 N 0.01 0.57 0.00 4.85 5.68 -0.15 -4.75 116.55 122.76 3dhn n ASP 185 Ca -0.10 -1.53 0.11 0.00 -0.50 0.00 0.00 54.79 52.76 3dhn n ASP 185 Cb 0.57 -0.40 0.54 0.00 -1.14 0.00 0.00 41.12 40.69 3dhn n ASP 185 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3dhn h ILE 186 N -0.73 0.92 0.00 2.12 6.09 -1.87 -0.83 117.51 123.21 3dhn h ILE 186 Ca -0.19 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3dhn h ILE 186 Cb 0.66 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.55 3dhn h ILE 186 CO 0.19 0.05 -0.07 0.52 -3.07 0.00 0.00 178.15 175.77 3dhn n VAL 187 N -4.47 0.39 0.00 2.19 0.31 -1.26 -4.92 118.33 110.57 3dhn n VAL 187 Ca 0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3dhn n VAL 187 Cb 0.31 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 3dhn n VAL 187 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dhn n GLY 188 N 1.37 0.73 3.87 2.92 0.00 -0.32 -5.09 105.19 108.67 3dhn n GLY 188 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3dhn n GLY 188 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dhn s ASN 189 N -2.54 6.58 -0.40 1.61 -0.87 -1.26 -4.73 114.94 113.34 3dhn s ASN 189 Ca 0.00 0.68 -0.11 0.00 -1.57 0.00 0.00 52.86 51.86 3dhn s ASN 189 Cb 0.00 -2.14 0.04 0.00 -0.02 0.00 0.00 41.25 39.13 3dhn s ASN 189 CO 0.00 0.32 0.24 -0.55 -2.57 0.00 0.00 177.10 174.54 3dhn s SER 190 N -1.29 5.77 0.11 -1.22 0.15 -1.26 -0.97 113.70 114.99 3dhn s SER 190 Ca 0.23 -1.13 -0.08 0.00 0.70 0.00 0.00 55.95 55.67 3dhn s SER 190 Cb -0.14 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 62.12 3dhn s SER 190 CO 0.12 -0.45 0.20 -1.38 1.20 0.00 0.00 173.24 172.93 3dhn s HIS 191 N 1.54 0.30 -0.05 3.44 -3.43 -1.26 -1.57 115.29 114.26 3dhn s HIS 191 Ca 0.02 -0.71 -0.30 0.00 -0.80 0.00 0.00 55.06 53.27 3dhn s HIS 191 Cb -0.20 -0.11 0.08 0.00 -1.43 0.00 0.00 32.58 30.92 3dhn s HIS 191 CO 0.06 -0.59 0.75 -1.50 -2.00 0.00 0.00 174.74 171.45 3dhn s ILE 192 N -3.91 0.00 0.41 -5.38 1.10 -0.98 -1.32 121.20 111.11 3dhn s ILE 192 Ca 0.10 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.12 3dhn s ILE 192 Cb 0.05 -1.00 -0.07 0.00 0.15 0.00 0.00 42.46 41.59 3dhn s ILE 192 CO -0.06 0.00 0.80 -0.94 -2.11 0.00 0.00 174.94 172.63 3dhn s SER 193 N -1.42 6.59 0.25 4.50 1.04 -1.26 -3.11 113.70 120.29 3dhn s SER 193 Ca -0.07 1.23 -0.04 0.00 0.48 0.00 0.00 55.95 57.55 3dhn s SER 193 Cb -0.00 -2.36 0.29 0.00 0.10 0.00 0.00 66.02 64.04 3dhn s SER 193 CO 0.05 -0.39 1.81 0.58 0.98 0.00 0.00 173.24 176.26 3dhn h VAL 194 N 1.23 1.24 -0.44 5.02 2.07 -1.45 -1.53 116.25 122.40 3dhn h VAL 194 Ca -0.47 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 3dhn h VAL 194 Cb 1.18 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3dhn h VAL 194 CO 0.64 0.32 0.07 -0.33 0.02 0.00 0.00 177.57 178.28 3dhn h GLU 195 N 0.99 0.73 -0.06 1.57 3.07 -1.84 -1.85 114.58 117.18 3dhn h GLU 195 Ca 0.22 -0.20 -0.11 0.00 -0.50 0.00 0.00 59.36 58.77 3dhn h GLU 195 Cb 0.24 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3dhn h GLU 195 CO -0.01 0.76 -0.47 -0.44 -1.40 0.00 0.00 179.01 177.45 3dhn h ASP 196 N 0.59 0.16 -0.53 1.42 3.32 -1.69 -1.74 116.42 117.95 3dhn h ASP 196 Ca 0.13 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3dhn h ASP 196 Cb 0.39 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3dhn h ASP 196 CO 0.01 0.61 -0.02 0.22 -1.72 0.00 0.00 179.24 178.35 3dhn h TYR 197 N 0.12 1.07 -0.37 4.55 5.03 -1.10 -2.23 116.97 124.04 3dhn h TYR 197 Ca 0.01 -0.18 -0.11 0.00 2.58 0.00 0.00 58.73 61.02 3dhn h TYR 197 Cb 0.88 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 3dhn h TYR 197 CO 0.01 0.96 -0.21 0.00 -1.32 0.00 0.00 178.16 177.60 3dhn h ALA 198 N 1.07 0.52 -0.99 1.82 0.00 -1.06 -3.02 119.26 117.59 3dhn h ALA 198 Ca 0.16 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3dhn h ALA 198 Cb 0.55 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3dhn h ALA 198 CO 0.03 0.48 0.65 0.00 0.00 0.00 0.00 179.25 180.41 3dhn h ALA 199 N 0.79 1.36 0.00 0.00 0.00 -1.17 -1.58 119.26 118.65 3dhn h ALA 199 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dhn h ALA 199 Cb 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3dhn h ALA 199 CO 0.06 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.85 3dhn n ALA 200 N -2.37 1.86 0.00 0.00 0.00 -0.85 -1.93 120.51 117.22 3dhn n ALA 200 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3dhn n ALA 200 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3dhn n ALA 200 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3dhn n ILE 202 N 0.68 0.00 -0.23 0.00 2.08 -0.59 -1.59 119.36 119.70 3dhn n ILE 202 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 3dhn n ILE 202 Cb 0.19 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.11 3dhn n ILE 202 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3dhn h ASP 203 N 0.00 0.95 0.04 4.38 5.19 -1.64 0.93 116.42 126.26 3dhn h ASP 203 Ca 0.00 -0.21 -0.10 0.00 -0.62 0.00 0.00 57.03 56.10 3dhn h ASP 203 Cb 0.00 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 3dhn h ASP 203 CO 0.00 0.91 -0.31 -0.08 -3.12 0.00 0.00 179.24 176.64 3dhn h GLU 204 N 0.93 0.40 -0.11 3.56 4.57 -1.53 0.13 114.58 122.54 3dhn h GLU 204 Ca 0.21 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3dhn h GLU 204 Cb 0.30 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3dhn h GLU 204 CO -0.01 0.67 -0.10 1.25 -1.18 0.00 0.00 179.01 179.64 3dhn h LEU 205 N 0.35 0.28 -0.17 1.64 5.85 -1.74 -2.92 115.31 118.59 3dhn h LEU 205 Ca 0.05 -0.48 -0.16 0.00 0.84 0.00 0.00 57.88 58.13 3dhn h LEU 205 Cb 0.72 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3dhn h LEU 205 CO 0.06 0.69 -0.53 -0.08 -0.34 0.00 0.00 178.44 178.24 3dhn h GLU 206 N -0.14 0.66 -2.81 1.25 4.81 -0.71 -3.40 114.58 114.24 3dhn h GLU 206 Ca 0.02 -0.48 -0.61 0.00 -0.13 0.00 0.00 59.36 58.16 3dhn h GLU 206 Cb 0.61 0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.68 3dhn h GLU 206 CO 0.03 1.10 -0.76 -1.01 -0.73 0.00 0.00 179.01 177.64 3dhn s HIS 207 N -3.87 2.19 -0.02 0.92 3.76 0.45 -4.87 115.29 113.84 3dhn s HIS 207 Ca -0.12 -2.67 -0.36 0.00 -0.15 0.00 0.00 55.06 51.75 3dhn s HIS 207 Cb 0.07 -1.83 -0.15 0.00 1.11 0.00 0.00 32.58 31.79 3dhn s HIS 207 CO 0.85 -0.72 1.60 -2.30 -0.85 0.00 0.00 174.74 173.32 3dhn n PRO 208 N 2.83 1.58 0.00 8.40 -0.02 -1.10 -4.52 135.00 142.17 3dhn n PRO 208 Ca 0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3dhn n PRO 208 Cb 0.39 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3dhn n PRO 208 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dhn n LYS 209 N 4.22 3.16 -4.64 -0.52 4.76 -1.26 -5.06 118.16 118.82 3dhn n LYS 209 Ca 0.21 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.39 3dhn n LYS 209 Cb 0.22 -0.66 -0.14 0.00 -1.84 0.00 0.00 35.03 32.61 3dhn n LYS 209 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3dhn s HIS 210 N -1.19 1.90 -0.05 2.13 3.76 -1.26 -5.14 115.29 115.44 3dhn s HIS 210 Ca 0.00 -0.38 -0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3dhn s HIS 210 Cb 0.00 -1.12 0.04 0.00 1.11 0.00 0.00 32.58 32.61 3dhn s HIS 210 CO 0.00 0.12 0.09 -1.01 -0.85 0.00 0.00 174.74 173.09 3dhn s HIS 211 N -0.85 -0.05 -1.28 1.40 3.76 -1.26 -4.91 115.29 112.10 3dhn s HIS 211 Ca 0.08 0.33 -0.12 0.00 -0.15 0.00 0.00 55.06 55.20 3dhn s HIS 211 Cb -0.09 -0.26 0.00 0.00 1.11 0.00 0.00 32.58 33.34 3dhn s HIS 211 CO 0.02 -0.16 0.58 1.04 -0.85 0.00 0.00 174.74 175.37 3dhn n GLN 212 N 4.64 -2.09 -3.81 1.40 6.02 0.55 -4.95 117.38 119.15 3dhn n GLN 212 Ca -0.18 0.38 -0.05 0.00 -0.01 0.00 0.00 57.00 57.14 3dhn n GLN 212 Cb 0.50 -4.12 -0.00 0.00 1.02 0.00 0.00 30.24 27.64 3dhn n GLN 212 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3dhn s GLU 213 N -6.45 1.49 0.05 -1.09 -1.05 -1.04 -4.96 118.70 105.64 3dhn s GLU 213 Ca 0.24 -0.88 0.03 0.00 -0.15 0.00 0.00 54.97 54.21 3dhn s GLU 213 Cb -0.10 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 3dhn s GLU 213 CO 0.89 -0.69 0.03 0.50 0.95 0.00 0.00 175.26 176.95 3dhn s ARG 214 N -3.02 2.78 0.17 -4.83 3.00 -1.26 -1.81 118.95 113.99 3dhn s ARG 214 Ca 0.15 -0.68 -0.02 0.00 -1.00 0.00 0.00 55.73 54.17 3dhn s ARG 214 Cb -0.03 -2.67 -0.03 0.00 0.00 0.00 0.00 34.95 32.21 3dhn s ARG 214 CO 0.05 0.59 0.14 -0.59 0.00 0.00 0.00 175.30 175.49 3dhn s PHE 215 N -1.25 0.92 0.29 5.12 -0.71 -0.85 -4.71 117.98 116.79 3dhn s PHE 215 Ca 0.24 -1.23 0.04 0.00 -1.04 0.00 0.00 56.93 54.95 3dhn s PHE 215 Cb -0.12 -0.44 -0.03 0.00 -1.21 0.00 0.00 43.02 41.23 3dhn s PHE 215 CO 0.16 -0.62 0.25 -0.08 -1.34 0.00 0.00 175.22 173.59 3dhn s THR 216 N -4.09 0.00 0.10 -4.49 -1.32 -0.70 -1.14 115.64 104.00 3dhn s THR 216 Ca 0.30 -1.97 -0.08 0.00 -1.21 0.00 0.00 61.69 58.73 3dhn s THR 216 Cb 0.06 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.54 3dhn s THR 216 CO 0.07 0.00 0.19 -0.51 -2.21 0.00 0.00 174.62 172.16 3dhn s ILE 217 N -3.66 0.13 0.00 5.08 2.07 -1.21 -0.71 121.20 122.90 3dhn s ILE 217 Ca 0.39 -1.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 3dhn s ILE 217 Cb 0.04 -1.44 0.00 0.00 0.13 0.00 0.00 42.46 41.19 3dhn s ILE 217 CO 0.22 -0.61 0.00 0.61 -1.91 0.00 0.00 174.94 173.25 3dhn n GLY 218 N -0.08 1.06 3.83 1.50 0.00 -0.91 -3.54 105.19 107.05 3dhn n GLY 218 Ca -0.14 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 3dhn n GLY 218 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhn s TYR 219 N -2.00 3.32 -0.19 1.61 2.02 -0.43 -1.46 117.35 120.21 3dhn s TYR 219 Ca 0.00 1.55 0.05 0.00 -0.37 0.00 0.00 57.07 58.30 3dhn s TYR 219 Cb 0.00 -2.85 -0.15 0.00 -0.40 0.00 0.00 41.96 38.55 3dhn s TYR 219 CO 0.00 -0.32 -0.12 1.28 -1.57 0.00 0.00 175.55 174.82 3dhn n LEU 220 N -1.10 2.15 -4.87 -1.29 4.77 -1.26 -3.66 117.00 111.74 3dhn n LEU 220 Ca 0.07 -0.08 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 3dhn n LEU 220 Cb 0.54 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3dhn n LEU 220 CO 0.41 0.72 0.64 -1.61 -1.33 0.00 0.00 177.39 176.23 3dhn s GLU 221 N -2.41 3.68 -0.12 3.23 2.02 -1.26 -3.14 118.70 120.71 3dhn s GLU 221 Ca -0.22 0.68 0.01 0.00 0.02 0.00 0.00 54.97 55.46 3dhn s GLU 221 Cb 0.06 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 32.12 3dhn s GLU 221 CO 0.53 -0.40 -0.15 -1.58 0.02 0.00 0.00 175.26 173.67 3dhn s HIS 222 N -2.93 2.75 0.73 1.61 5.65 -1.26 -4.85 115.29 117.00 3dhn s HIS 222 Ca 0.54 -0.67 -0.13 0.00 0.25 0.00 0.00 55.06 55.05 3dhn s HIS 222 Cb -0.11 -1.80 0.04 0.00 -1.18 0.00 0.00 32.58 29.53 3dhn s HIS 222 CO 0.46 -0.21 1.13 -3.38 -0.65 0.00 0.00 174.74 172.09 3dhn s HIS 223 N 0.25 2.37 -0.78 3.88 -3.43 -1.26 -5.13 115.29 111.18 3dhn s HIS 223 Ca -0.10 1.59 0.06 0.00 -0.80 0.00 0.00 55.06 55.81 3dhn s HIS 223 Cb -0.16 -3.23 0.05 0.00 -1.43 0.00 0.00 32.58 27.81 3dhn s HIS 223 CO 0.06 -2.05 0.70 0.72 -2.00 0.00 0.00 174.74 172.16