#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8p s LYS 55 N 0.00 3.72 -0.13 3.44 1.02 -1.26 -4.00 119.74 122.53 3b8p s LYS 55 Ca 0.00 -0.43 -0.02 0.00 0.02 0.00 0.00 55.97 55.54 3b8p s LYS 55 Cb 0.00 -3.03 0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3b8p s LYS 55 CO 0.00 0.31 0.02 -1.58 -0.92 0.00 0.00 175.35 173.19 3b8p s TRP 56 N 0.21 0.77 -0.13 3.18 0.52 0.12 -1.80 118.94 121.81 3b8p s TRP 56 Ca 0.01 -0.46 -0.25 0.00 0.02 0.00 0.00 56.10 55.42 3b8p s TRP 56 Cb -0.13 -0.88 -0.02 0.00 -1.15 0.00 0.00 33.47 31.28 3b8p s TRP 56 CO 0.02 -0.46 0.79 0.99 0.02 0.00 0.00 176.95 178.31 3b8p s THR 57 N 1.94 4.94 0.12 2.01 2.01 -1.26 -2.22 115.64 123.17 3b8p s THR 57 Ca 0.02 1.58 0.02 0.00 0.31 0.00 0.00 61.69 63.63 3b8p s THR 57 Cb -0.14 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3b8p s THR 57 CO -0.07 0.11 0.20 -0.55 -0.69 0.00 0.00 174.62 173.62 3b8p s SER 58 N 1.05 6.03 -0.05 3.53 0.15 0.13 -4.39 113.70 120.15 3b8p s SER 58 Ca 0.38 0.10 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 3b8p s SER 58 Cb -0.17 -1.75 0.03 0.00 -1.71 0.00 0.00 66.02 62.42 3b8p s SER 58 CO 0.15 0.11 0.07 -0.89 1.20 0.00 0.00 173.24 173.88 3b8p s THR 59 N -1.62 -0.12 0.26 6.45 2.01 -1.26 -1.64 115.64 119.71 3b8p s THR 59 Ca 0.33 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.79 3b8p s THR 59 Cb -0.12 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 3b8p s THR 59 CO 0.26 0.15 0.20 0.00 -0.69 0.00 0.00 174.62 174.54 3b8p s ALA 60 N 2.18 3.59 -0.09 7.40 0.00 -0.37 -2.41 121.76 132.06 3b8p s ALA 60 Ca 0.05 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.59 3b8p s ALA 60 Cb -0.12 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.74 3b8p s ALA 60 CO -0.04 0.23 -0.19 0.42 0.00 0.00 0.00 175.76 176.18 3b8p s ILE 61 N -2.16 1.72 0.00 0.00 1.01 -1.26 -1.08 121.20 119.43 3b8p s ILE 61 Ca 0.33 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3b8p s ILE 61 Cb -0.08 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 3b8p s ILE 61 CO 0.25 0.48 -0.15 -0.63 0.00 0.00 0.00 174.94 174.89 3b8p s ILE 62 N 0.56 1.22 0.37 2.92 1.01 0.64 -0.43 121.20 127.49 3b8p s ILE 62 Ca -0.15 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.78 3b8p s ILE 62 Cb -0.17 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3b8p s ILE 62 CO 0.05 0.27 0.13 1.07 0.00 0.00 0.00 174.94 176.47 3b8p n THR 63 N 2.50 0.00 -1.67 2.92 5.66 0.96 -1.62 114.28 123.04 3b8p n THR 63 Ca -0.15 -2.14 -0.38 0.00 -3.05 0.00 0.00 64.05 58.32 3b8p n THR 63 Cb 0.55 0.77 0.05 0.00 -1.55 0.00 0.00 70.33 70.14 3b8p n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3b8p n GLN 64 N -0.83 1.24 -2.52 1.09 10.64 -1.26 -1.33 117.38 124.40 3b8p n GLN 64 Ca -0.05 0.46 -0.37 0.00 -1.83 0.00 0.00 57.00 55.21 3b8p n GLN 64 Cb 0.55 -2.32 -0.04 0.00 -0.86 0.00 0.00 30.24 27.57 3b8p n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3b8p s PRO 65 N -2.76 4.21 0.61 2.61 0.04 -1.26 -4.18 135.00 134.27 3b8p s PRO 65 Ca 0.73 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 3b8p s PRO 65 Cb -0.43 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 3b8p s PRO 65 CO 0.48 -0.11 1.15 0.16 0.04 0.00 0.00 177.00 178.72 3b8p s ASP 66 N -1.46 5.24 0.35 6.66 1.47 -1.26 -4.85 116.67 122.81 3b8p s ASP 66 Ca 0.56 2.20 0.14 0.00 1.18 0.00 0.00 52.55 56.63 3b8p s ASP 66 Cb -0.24 -2.58 1.13 0.00 -0.34 0.00 0.00 42.92 40.90 3b8p s ASP 66 CO 0.30 -1.55 1.58 0.00 0.68 0.00 0.00 175.17 176.17 3b8p h ALA 67 N 0.62 1.80 -0.46 2.11 0.00 -1.97 0.40 119.26 121.75 3b8p h ALA 67 Ca -0.49 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3b8p h ALA 67 Cb 1.27 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 3b8p h ALA 67 CO 0.55 -0.81 0.07 0.00 0.00 0.00 0.00 179.25 179.06 3b8p h ALA 68 N 2.00 0.61 0.00 0.00 0.00 -1.99 -2.29 119.26 117.59 3b8p h ALA 68 Ca 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3b8p h ALA 68 Cb 1.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3b8p h ALA 68 CO -0.83 0.34 0.00 1.04 0.00 0.00 0.00 179.25 179.79 3b8p n GLN 69 N -4.45 0.19 0.00 0.00 6.02 0.13 -2.26 117.38 117.00 3b8p n GLN 69 Ca 0.00 0.16 0.01 0.00 -0.01 0.00 0.00 57.00 57.17 3b8p n GLN 69 Cb 0.25 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 3b8p n GLN 69 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3b8p n VAL 70 N -1.29 0.00 0.00 5.09 0.31 -1.08 -3.69 118.33 117.67 3b8p n VAL 70 Ca 0.06 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3b8p n VAL 70 Cb 0.11 1.03 0.00 0.00 -0.91 0.00 0.00 33.84 34.07 3b8p n VAL 70 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3b8p n ALA 71 N -0.41 0.00 -0.00 3.52 0.00 -0.88 -1.48 120.51 121.25 3b8p n ALA 71 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 3b8p n ALA 71 Cb 0.06 0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 3b8p n ALA 71 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3b8p h THR 72 N 0.00 0.00 -0.97 0.00 1.35 -1.89 -1.22 112.91 110.18 3b8p h THR 72 Ca 0.00 0.00 0.23 0.00 -0.55 0.00 0.00 66.41 66.09 3b8p h THR 72 Cb 0.00 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.34 3b8p h THR 72 CO 0.00 0.00 0.63 0.22 -0.25 0.00 0.00 175.52 176.12 3b8p h TYR 73 N -0.49 0.63 -0.16 4.73 3.20 -1.85 0.17 116.97 123.20 3b8p h TYR 73 Ca 0.02 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.71 3b8p h TYR 73 Cb 0.57 -0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.66 3b8p h TYR 73 CO -0.56 0.12 -0.69 1.79 -1.64 0.00 0.00 178.16 177.18 3b8p h THR 74 N 0.43 1.29 0.08 1.81 1.35 -0.44 -1.91 112.91 115.52 3b8p h THR 74 Ca 0.53 -1.90 -0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3b8p h THR 74 Cb 1.29 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3b8p h THR 74 CO -0.24 0.60 -0.04 0.78 -0.25 0.00 0.00 175.52 176.38 3b8p h ASN 75 N 0.47 -0.09 -0.75 5.36 2.35 0.14 -2.12 115.58 120.94 3b8p h ASN 75 Ca -0.04 -0.14 0.13 0.00 -0.55 0.00 0.00 56.30 55.70 3b8p h ASN 75 Cb 1.32 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.62 3b8p h ASN 75 CO 0.14 0.08 0.33 0.00 -1.65 0.00 0.00 177.43 176.33 3b8p h ALA 76 N 0.66 1.06 0.00 -0.83 0.00 -0.83 0.18 119.26 119.49 3b8p h ALA 76 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3b8p h ALA 76 Cb 0.22 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3b8p h ALA 76 CO 0.02 -0.16 -0.16 -0.07 0.00 0.00 0.00 179.25 178.88 3b8p h LEU 77 N 0.50 0.00 0.04 0.00 3.38 -0.92 -2.87 115.31 115.44 3b8p h LEU 77 Ca 0.40 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 3b8p h LEU 77 Cb 0.56 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3b8p h LEU 77 CO -0.36 0.16 -0.57 0.78 0.09 0.00 0.00 178.44 178.54 3b8p h ASN 78 N 0.00 0.43 -0.92 -0.43 2.35 -0.12 -2.90 115.58 113.98 3b8p h ASN 78 Ca -0.00 -0.83 0.26 0.00 -0.55 0.00 0.00 56.30 55.17 3b8p h ASN 78 Cb 0.34 -0.13 -0.14 0.00 0.05 0.00 0.00 38.32 38.44 3b8p h ASN 78 CO 0.02 1.21 0.37 0.58 -1.65 0.00 0.00 177.43 177.97 3b8p h VAL 79 N -0.30 0.35 0.00 2.81 2.07 -0.61 0.87 116.25 121.44 3b8p h VAL 79 Ca -0.08 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3b8p h VAL 79 Cb 1.34 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3b8p h VAL 79 CO 0.11 0.05 -0.85 -0.07 0.02 0.00 0.00 177.57 176.83 3b8p h LEU 80 N 0.29 0.00 0.00 2.57 3.38 -1.60 -3.43 115.31 116.52 3b8p h LEU 80 Ca 0.61 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 3b8p h LEU 80 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3b8p h LEU 80 CO -0.61 0.00 -0.10 -1.22 0.09 0.00 0.00 178.44 176.60 3b8p n TYR 81 N -2.73 0.00 0.00 1.13 4.02 -0.32 -5.07 117.16 114.19 3b8p n TYR 81 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3b8p n TYR 81 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 3b8p n TYR 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3b8p n GLY 82 N 0.62 2.97 0.17 2.72 0.00 0.29 -1.41 105.19 110.55 3b8p n GLY 82 Ca 0.00 0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.45 3b8p n GLY 82 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b8p h GLY 83 N 0.00 0.00 -2.35 -0.02 0.00 -1.97 -2.91 103.07 95.81 3b8p h GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3b8p h GLY 83 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 3b8p n ASN 84 N -2.52 3.49 -4.78 0.19 4.13 -0.50 -4.93 115.26 110.34 3b8p n ASN 84 Ca 0.02 -1.98 -0.35 0.00 1.68 0.00 0.00 54.58 53.94 3b8p n ASN 84 Cb 0.28 -0.36 -0.02 0.00 -1.54 0.00 0.00 39.78 38.14 3b8p n ASN 84 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3b8p s ALA 85 N -1.28 2.87 0.67 5.41 0.00 -1.10 -5.00 121.76 123.33 3b8p s ALA 85 Ca 0.42 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 3b8p s ALA 85 Cb 0.23 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3b8p s ALA 85 CO 0.31 -0.53 1.24 -1.25 0.00 0.00 0.00 175.76 175.53 3b8p s PRO 86 N -3.00 2.47 0.76 0.00 0.04 -1.26 -4.98 135.00 129.02 3b8p s PRO 86 Ca 0.67 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 63.46 3b8p s PRO 86 Cb -0.23 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.51 3b8p s PRO 86 CO 0.27 -1.61 1.19 0.15 0.04 0.00 0.00 177.00 177.04 3b8p s LYS 87 N -3.59 1.94 0.15 4.56 1.02 -1.26 -4.85 119.74 117.72 3b8p s LYS 87 Ca 0.78 1.71 -0.23 0.00 0.02 0.00 0.00 55.97 58.24 3b8p s LYS 87 Cb -0.33 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.20 3b8p s LYS 87 CO 0.41 -1.97 1.61 0.82 -0.92 0.00 0.00 175.35 175.29 3b8p h ILE 88 N -0.60 0.29 -0.85 2.17 5.03 -1.97 -1.29 117.51 120.29 3b8p h ILE 88 Ca -0.47 0.00 0.20 0.00 -0.12 0.00 0.00 64.86 64.48 3b8p h ILE 88 Cb 1.29 0.29 -0.12 0.00 -3.03 0.00 0.00 36.82 35.25 3b8p h ILE 88 CO 0.48 0.00 0.31 0.77 -0.68 0.00 0.00 178.15 179.04 3b8p h SER 89 N -0.28 0.20 0.04 1.72 4.64 -2.00 -1.24 113.55 116.63 3b8p h SER 89 Ca 0.15 0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 3b8p h SER 89 Cb 0.52 0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3b8p h SER 89 CO -0.45 -0.03 -0.18 -0.33 -0.87 0.00 0.00 176.83 174.97 3b8p h GLU 90 N 0.34 0.26 -0.03 4.77 5.08 -1.59 -1.87 114.58 121.55 3b8p h GLU 90 Ca 0.52 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 3b8p h GLU 90 Cb 0.96 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3b8p h GLU 90 CO -0.54 0.44 -0.07 0.28 -1.00 0.00 0.00 179.01 178.13 3b8p h VAL 91 N 0.24 1.45 -0.34 3.13 2.07 -0.92 -1.52 116.25 120.37 3b8p h VAL 91 Ca 0.05 -1.43 0.07 0.00 0.82 0.00 0.00 66.70 66.20 3b8p h VAL 91 Cb 0.46 2.35 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 3b8p h VAL 91 CO 0.03 0.39 -0.11 1.56 0.02 0.00 0.00 177.57 179.46 3b8p h GLN 92 N -0.46 -0.03 0.31 1.57 4.20 -1.05 0.22 115.11 119.88 3b8p h GLN 92 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3b8p h GLN 92 Cb 0.66 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 3b8p h GLN 92 CO 0.01 -0.02 -0.32 0.00 -0.67 0.00 0.00 178.83 177.84 3b8p h ALA 93 N 1.28 -0.67 -0.91 3.87 0.00 -1.39 -2.48 119.26 118.96 3b8p h ALA 93 Ca 0.17 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.14 3b8p h ALA 93 Cb 0.28 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.43 3b8p h ALA 93 CO -0.37 -0.91 0.50 -0.97 0.00 0.00 0.00 179.25 177.50 3b8p h ASN 94 N -0.66 0.62 0.82 0.00 -1.24 -0.23 -0.45 115.58 114.43 3b8p h ASN 94 Ca -0.02 0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 3b8p h ASN 94 Cb 0.61 -0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.66 3b8p h ASN 94 CO -0.06 0.23 -0.39 -0.26 -1.29 0.00 0.00 177.43 175.65 3b8p h PHE 95 N 0.66 -1.02 -0.73 0.67 -1.00 -0.20 -2.12 116.94 113.21 3b8p h PHE 95 Ca 0.52 -0.02 0.02 0.00 2.81 0.00 0.00 57.97 61.29 3b8p h PHE 95 Cb 0.78 0.34 -0.04 0.00 3.61 0.00 0.00 35.95 40.64 3b8p h PHE 95 CO -0.06 -0.63 0.48 0.97 -1.61 0.00 0.00 178.31 177.46 3b8p h ILE 96 N -1.15 1.15 -0.97 -0.55 6.09 -1.21 0.22 117.51 121.10 3b8p h ILE 96 Ca -0.11 -0.32 0.10 0.00 -1.37 0.00 0.00 64.86 63.15 3b8p h ILE 96 Cb 0.85 0.13 -0.07 0.00 0.47 0.00 0.00 36.82 38.20 3b8p h ILE 96 CO 0.18 0.17 0.62 -1.28 -3.07 0.00 0.00 178.15 174.77 3b8p h SER 97 N 0.94 0.92 -0.13 2.19 0.87 -0.96 -0.54 113.55 116.84 3b8p h SER 97 Ca 0.28 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.77 3b8p h SER 97 Cb -0.04 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 3b8p h SER 97 CO -0.07 0.53 -0.29 0.03 -0.53 0.00 0.00 176.83 176.51 3b8p h ARG 98 N 1.01 0.42 -0.33 2.24 3.08 0.07 -2.19 114.38 118.68 3b8p h ARG 98 Ca 0.45 -0.28 0.07 0.00 0.07 0.00 0.00 59.98 60.29 3b8p h ARG 98 Cb 0.37 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 3b8p h ARG 98 CO -0.21 0.89 -0.20 0.35 -1.07 0.00 0.00 179.97 179.73 3b8p h PHE 99 N 0.02 -0.52 -0.56 3.04 3.57 -0.63 -1.80 116.94 120.06 3b8p h PHE 99 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3b8p h PHE 99 Cb 0.89 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 3b8p h PHE 99 CO 0.10 -0.28 0.33 1.03 -2.23 0.00 0.00 178.31 177.26 3b8p h SER 100 N -0.16 0.52 -0.51 0.41 0.87 -1.08 0.49 113.55 114.08 3b8p h SER 100 Ca 0.17 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 3b8p h SER 100 Cb 0.42 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3b8p h SER 100 CO -0.43 0.37 -0.15 -1.28 -0.53 0.00 0.00 176.83 174.80 3b8p h SER 101 N 0.65 1.02 -0.26 6.23 0.87 -1.04 -0.75 113.55 120.27 3b8p h SER 101 Ca 0.23 -0.37 -0.19 0.00 -1.23 0.00 0.00 61.79 60.23 3b8p h SER 101 Cb 0.05 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 3b8p h SER 101 CO -0.11 1.16 -0.59 0.00 -0.53 0.00 0.00 176.83 176.76 3b8p h ALA 102 N 0.90 0.42 -0.93 6.23 0.00 -1.08 -2.92 119.26 121.89 3b8p h ALA 102 Ca 0.13 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.52 3b8p h ALA 102 Cb 0.73 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3b8p h ALA 102 CO 0.06 0.67 0.61 0.35 0.00 0.00 0.00 179.25 180.94 3b8p h PHE 103 N 0.64 1.16 0.00 0.00 3.57 -0.64 0.16 116.94 121.83 3b8p h PHE 103 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3b8p h PHE 103 Cb 1.21 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3b8p h PHE 103 CO 0.08 0.71 0.00 -1.13 -2.23 0.00 0.00 178.31 175.74 3b8p n SER 104 N -4.41 0.00 -0.04 0.41 3.41 -0.31 -2.26 113.62 110.42 3b8p n SER 104 Ca 0.11 0.41 -0.18 0.00 -0.26 0.00 0.00 58.87 58.95 3b8p n SER 104 Cb 0.04 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.40 3b8p n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b8p h ALA 105 N 2.76 0.06 -0.19 7.33 0.00 -0.53 -2.94 119.26 125.74 3b8p h ALA 105 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 54.91 54.18 3b8p h ALA 105 Cb 0.32 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 3b8p h ALA 105 CO 0.00 0.35 -0.48 1.25 0.00 0.00 0.00 179.25 180.37 3b8p h LEU 106 N -0.75 -1.52 -0.97 0.00 6.46 -1.19 0.37 115.31 117.70 3b8p h LEU 106 Ca -0.15 0.20 0.26 0.00 -0.12 0.00 0.00 57.88 58.07 3b8p h LEU 106 Cb 1.32 0.62 -0.18 0.00 -0.73 0.00 0.00 40.66 41.68 3b8p h LEU 106 CO 0.00 -0.44 -0.00 -1.28 -0.62 0.00 0.00 178.44 176.10 3b8p h SER 107 N -0.50 -0.52 0.11 1.25 0.87 -1.57 0.19 113.55 113.38 3b8p h SER 107 Ca 0.07 0.28 -0.20 0.00 -1.23 0.00 0.00 61.79 60.71 3b8p h SER 107 Cb 0.64 0.49 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3b8p h SER 107 CO -0.45 -0.34 -0.74 -0.08 -0.53 0.00 0.00 176.83 174.68 3b8p h GLU 108 N 0.02 0.54 0.29 2.24 4.57 -0.81 -3.04 114.58 118.40 3b8p h GLU 108 Ca 0.57 -0.44 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3b8p h GLU 108 Cb 1.14 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3b8p h GLU 108 CO -0.91 1.07 -0.14 0.28 -1.18 0.00 0.00 179.01 178.13 3b8p h VAL 109 N 0.37 0.73 0.00 0.32 2.07 0.57 -3.01 116.25 117.31 3b8p h VAL 109 Ca -0.04 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3b8p h VAL 109 Cb 1.34 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3b8p h VAL 109 CO 0.14 0.04 -0.01 -0.07 0.02 0.00 0.00 177.57 177.68 3b8p h LEU 110 N -0.48 0.00 -2.00 2.57 3.38 -0.76 0.30 115.31 118.32 3b8p h LEU 110 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3b8p h LEU 110 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3b8p h LEU 110 CO 0.07 0.01 0.00 -0.67 0.09 0.00 0.00 178.44 177.94 3b8p n ASP 111 N -3.76 2.95 -1.77 -0.43 4.64 -1.14 -1.49 116.55 115.55 3b8p n ASP 111 Ca -0.03 -2.32 -0.00 0.00 -1.38 0.00 0.00 54.79 51.06 3b8p n ASP 111 Cb 0.09 -0.48 0.06 0.00 -1.04 0.00 0.00 41.12 39.76 3b8p n ASP 111 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3b8p n ASN 112 N 0.42 1.79 -5.01 1.67 4.05 0.10 -4.90 115.26 113.37 3b8p n ASN 112 Ca 0.14 -2.59 -0.19 0.00 0.45 0.00 0.00 54.58 52.39 3b8p n ASN 112 Cb 0.60 -0.40 0.03 0.00 1.23 0.00 0.00 39.78 41.24 3b8p n ASN 112 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3b8p s GLN 113 N -2.12 2.53 -0.01 1.20 -0.21 -1.24 -4.98 119.66 114.83 3b8p s GLN 113 Ca 0.35 -1.49 -0.22 0.00 0.02 0.00 0.00 55.36 54.02 3b8p s GLN 113 Cb 0.37 -2.65 -0.20 0.00 1.00 0.00 0.00 33.01 31.53 3b8p s GLN 113 CO -0.09 -0.57 1.17 1.57 -2.12 0.00 0.00 175.29 175.26 3b8p h LYS 114 N 0.44 0.26 -4.12 2.91 5.09 -1.96 -3.32 116.57 115.87 3b8p h LYS 114 Ca -0.35 -0.20 -0.72 0.00 0.09 0.00 0.00 60.65 59.47 3b8p h LYS 114 Cb 1.28 0.04 -0.08 0.00 0.10 0.00 0.00 32.23 33.57 3b8p h LYS 114 CO 0.44 0.84 2.63 -1.91 -2.09 0.00 0.00 179.45 179.37 3b8p n GLU 115 N -4.52 3.13 -1.52 0.07 4.07 -1.26 -4.99 120.64 115.63 3b8p n GLU 115 Ca -0.08 -3.00 -0.45 0.00 -0.06 0.00 0.00 57.16 53.57 3b8p n GLU 115 Cb 0.45 -3.20 -0.01 0.00 -0.06 0.00 0.00 31.44 28.62 3b8p n GLU 115 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3b8p n ARG 116 N 5.74 0.87 -4.22 5.31 1.85 -1.25 -4.98 116.66 119.98 3b8p n ARG 116 Ca 0.48 0.31 -0.17 0.00 -1.00 0.00 0.00 57.85 57.46 3b8p n ARG 116 Cb 0.39 -1.58 -0.15 0.00 -1.05 0.00 0.00 32.46 30.07 3b8p n ARG 116 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3b8p s GLU 117 N -1.45 0.53 -0.35 2.89 2.02 -0.56 -5.01 118.70 116.78 3b8p s GLU 117 Ca 0.61 -0.22 -0.06 0.00 0.02 0.00 0.00 54.97 55.32 3b8p s GLU 117 Cb -0.73 -0.52 0.05 0.00 0.10 0.00 0.00 34.13 33.03 3b8p s GLU 117 CO 0.59 0.12 0.13 0.15 0.02 0.00 0.00 175.26 176.26 3b8p s LYS 118 N -0.07 2.54 -0.09 1.61 3.01 -1.26 -3.46 119.74 122.01 3b8p s LYS 118 Ca 0.01 -1.30 0.02 0.00 -1.01 0.00 0.00 55.97 53.70 3b8p s LYS 118 Cb -0.03 -3.49 0.01 0.00 -1.01 0.00 0.00 37.83 33.30 3b8p s LYS 118 CO -0.00 -0.75 -0.16 -1.17 0.51 0.00 0.00 175.35 173.78 3b8p s LEU 119 N 1.36 1.77 0.21 3.17 0.20 -1.26 -1.47 118.68 122.65 3b8p s LEU 119 Ca -0.00 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.43 3b8p s LEU 119 Cb -0.20 -1.06 -0.05 0.00 -0.43 0.00 0.00 46.19 44.45 3b8p s LEU 119 CO 0.02 0.05 0.00 0.42 -0.29 0.00 0.00 176.35 176.55 3b8p s THR 120 N 0.75 0.85 -0.10 3.68 -4.23 0.20 -4.58 115.64 112.21 3b8p s THR 120 Ca -0.12 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 3b8p s THR 120 Cb -0.16 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.46 3b8p s THR 120 CO 0.02 -0.37 0.23 -0.51 -0.54 0.00 0.00 174.62 173.45 3b8p s ILE 121 N -3.54 -0.03 0.01 2.99 2.07 -1.26 -2.18 121.20 119.25 3b8p s ILE 121 Ca 0.27 0.12 -0.22 0.00 -1.41 0.00 0.00 60.65 59.42 3b8p s ILE 121 Cb 0.06 -0.35 0.05 0.00 0.13 0.00 0.00 42.46 42.34 3b8p s ILE 121 CO 0.07 0.05 0.49 -1.83 -1.91 0.00 0.00 174.94 171.80 3b8p s GLU 122 N 1.03 0.93 0.37 3.50 -1.05 -0.84 -5.01 118.70 117.62 3b8p s GLU 122 Ca -0.08 -0.13 -0.28 0.00 -0.15 0.00 0.00 54.97 54.34 3b8p s GLU 122 Cb -0.09 0.42 -0.11 0.00 -0.44 0.00 0.00 34.13 33.92 3b8p s GLU 122 CO -0.07 -0.30 1.49 -0.65 0.95 0.00 0.00 175.26 176.68 3b8p s GLN 123 N -1.86 4.13 0.03 -4.83 -0.21 -1.26 -0.83 119.66 114.83 3b8p s GLN 123 Ca -0.09 2.55 -0.20 0.00 0.02 0.00 0.00 55.36 57.64 3b8p s GLN 123 Cb -0.02 -2.98 -0.15 0.00 1.00 0.00 0.00 33.01 30.86 3b8p s GLN 123 CO 0.03 -0.52 1.32 0.77 -2.12 0.00 0.00 175.29 174.76 3b8p h SER 124 N 3.20 0.38 -3.38 5.90 0.02 -1.19 -3.36 113.55 115.11 3b8p h SER 124 Ca -0.50 -0.50 -0.73 0.00 -0.84 0.00 0.00 61.79 59.22 3b8p h SER 124 Cb 1.24 -0.11 -0.21 0.00 0.14 0.00 0.00 62.40 63.46 3b8p h SER 124 CO 0.66 0.81 -0.33 -0.69 -1.14 0.00 0.00 176.83 176.13 3b8p s VAL 125 N -4.21 5.21 0.02 2.27 1.01 -1.26 -4.99 120.40 118.45 3b8p s VAL 125 Ca -0.14 -0.84 -0.36 0.00 0.00 0.00 0.00 61.98 60.64 3b8p s VAL 125 Cb 0.05 -4.06 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 3b8p s VAL 125 CO 0.76 -0.49 1.55 2.29 0.00 0.00 0.00 175.10 179.20 3b8p n LYS 126 N 5.28 1.55 -0.21 2.72 -0.00 -1.26 -0.80 118.16 125.43 3b8p n LYS 126 Ca -0.11 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.76 3b8p n LYS 126 Cb 0.45 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 3b8p n LYS 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3b8p n GLY 127 N 3.30 0.62 3.04 2.58 0.00 -1.26 -5.05 105.19 108.43 3b8p n GLY 127 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 3b8p n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3b8p s GLN 128 N -0.77 2.19 0.22 1.61 0.74 0.02 -5.06 119.66 118.60 3b8p s GLN 128 Ca 0.00 -0.54 -0.11 0.00 0.05 0.00 0.00 55.36 54.76 3b8p s GLN 128 Cb 0.00 -1.90 0.30 0.00 1.10 0.00 0.00 33.01 32.51 3b8p s GLN 128 CO 0.00 -0.10 1.66 0.00 -0.55 0.00 0.00 175.29 176.30 3b8p h ALA 129 N 7.55 0.61 -3.40 1.58 0.00 -1.97 -3.41 119.26 120.22 3b8p h ALA 129 Ca -0.32 0.20 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 3b8p h ALA 129 Cb 1.17 0.34 -0.22 0.00 0.00 0.00 0.00 17.79 19.07 3b8p h ALA 129 CO 0.49 -0.40 -0.76 -0.51 0.00 0.00 0.00 179.25 178.08 3b8p s LEU 130 N -10.70 2.23 0.75 0.00 1.43 -1.26 -4.68 118.68 106.46 3b8p s LEU 130 Ca -0.14 -0.52 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 3b8p s LEU 130 Cb 0.19 -0.36 0.11 0.00 0.03 0.00 0.00 46.19 46.16 3b8p s LEU 130 CO 0.74 -0.10 1.06 -2.16 0.23 0.00 0.00 176.35 176.12 3b8p s PRO 131 N -1.44 1.72 0.04 1.29 0.04 -1.26 -4.88 135.00 130.51 3b8p s PRO 131 Ca -0.05 -0.59 0.06 0.00 0.04 0.00 0.00 61.00 60.47 3b8p s PRO 131 Cb -0.09 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 3b8p s PRO 131 CO 0.01 -1.52 -0.16 -0.48 0.04 0.00 0.00 177.00 174.88 3b8p s LEU 132 N -5.32 2.18 -0.09 -3.56 0.05 -0.64 -0.75 118.68 110.55 3b8p s LEU 132 Ca 0.65 -0.49 0.02 0.00 0.05 0.00 0.00 54.13 54.35 3b8p s LEU 132 Cb -0.08 -0.73 -0.02 0.00 -2.05 0.00 0.00 46.19 43.31 3b8p s LEU 132 CO 0.46 0.07 -0.14 -0.94 -0.55 0.00 0.00 176.35 175.25 3b8p s SER 133 N -1.21 4.01 0.05 1.48 1.04 -0.01 -0.26 113.70 118.80 3b8p s SER 133 Ca 0.04 -0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.26 3b8p s SER 133 Cb -0.08 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 3b8p s SER 133 CO 0.02 0.26 -0.08 0.68 0.98 0.00 0.00 173.24 175.09 3b8p s VAL 134 N -0.23 3.50 0.03 5.02 -7.23 -0.24 -1.99 120.40 119.27 3b8p s VAL 134 Ca 0.01 -0.99 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 3b8p s VAL 134 Cb -0.13 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 3b8p s VAL 134 CO 0.03 0.28 -0.01 -0.94 -0.31 0.00 0.00 175.10 174.15 3b8p s SER 135 N -1.74 0.32 -0.02 4.85 1.04 -0.93 -1.23 113.70 116.00 3b8p s SER 135 Ca 0.19 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.93 3b8p s SER 135 Cb -0.11 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.19 3b8p s SER 135 CO 0.10 -0.44 0.04 -0.47 0.98 0.00 0.00 173.24 173.45 3b8p s TYR 136 N -2.52 -0.01 -0.01 5.02 5.04 -0.65 -0.63 117.35 123.58 3b8p s TYR 136 Ca -0.06 0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.66 3b8p s TYR 136 Cb -0.02 -0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.11 3b8p s TYR 136 CO -0.05 -0.07 0.22 0.54 -1.34 0.00 0.00 175.55 174.85 3b8p s VAL 137 N 0.71 5.38 0.34 3.14 0.11 -0.54 -0.69 120.40 128.84 3b8p s VAL 137 Ca -0.06 0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 3b8p s VAL 137 Cb -0.08 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.26 3b8p s VAL 137 CO -0.02 0.38 0.65 -0.55 -3.33 0.00 0.00 175.10 172.23 3b8p s SER 138 N -1.72 0.16 0.10 3.54 0.15 -0.94 -4.50 113.70 110.49 3b8p s SER 138 Ca 0.26 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.81 3b8p s SER 138 Cb -0.13 0.74 -0.23 0.00 -1.71 0.00 0.00 66.02 64.70 3b8p s SER 138 CO 0.16 -1.45 1.21 0.00 1.20 0.00 0.00 173.24 174.36 3b8p h THR 139 N 2.07 1.57 -4.12 6.45 1.03 -1.87 0.33 112.91 118.37 3b8p h THR 139 Ca -0.28 -3.13 -0.62 0.00 -0.01 0.00 0.00 66.41 62.37 3b8p h THR 139 Cb 1.25 2.86 -0.31 0.00 -1.07 0.00 0.00 68.15 70.88 3b8p h THR 139 CO 0.36 0.91 -0.86 0.28 -0.01 0.00 0.00 175.52 176.20 3b8p s THR 140 N -2.74 1.70 0.18 0.00 -1.32 -1.26 -4.60 115.64 107.60 3b8p s THR 140 Ca -0.02 -0.88 -0.15 0.00 -1.21 0.00 0.00 61.69 59.42 3b8p s THR 140 Cb 0.08 -1.43 0.13 0.00 -1.51 0.00 0.00 72.50 69.77 3b8p s THR 140 CO 0.86 0.48 1.67 0.00 -2.21 0.00 0.00 174.62 175.41 3b8p h ALA 141 N 5.97 0.37 0.00 11.08 0.00 -1.89 0.12 119.26 134.91 3b8p h ALA 141 Ca -0.35 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3b8p h ALA 141 Cb 1.16 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3b8p h ALA 141 CO 0.48 -0.43 -0.07 1.05 0.00 0.00 0.00 179.25 180.28 3b8p h GLU 142 N 0.04 0.00 -0.32 0.00 -0.00 -1.97 -2.82 114.58 109.51 3b8p h GLU 142 Ca 0.23 0.00 -0.17 0.00 -0.00 0.00 0.00 59.36 59.42 3b8p h GLU 142 Cb 0.36 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.10 3b8p h GLU 142 CO -0.46 0.07 -0.48 0.78 -0.00 0.00 0.00 179.01 178.92 3b8p h GLY 143 N 2.06 0.96 0.69 1.06 0.00 -1.21 -2.91 103.07 103.72 3b8p h GLY 143 Ca -0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.23 3b8p h GLY 143 CO 0.01 0.96 -0.33 0.00 0.00 0.00 0.00 176.54 177.18 3b8p h ALA 144 N 0.75 -1.16 -0.90 3.60 0.00 -1.05 -2.17 119.26 118.32 3b8p h ALA 144 Ca 0.03 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 54.99 3b8p h ALA 144 Cb 1.08 0.36 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 3b8p h ALA 144 CO 0.11 -1.09 0.22 0.37 0.00 0.00 0.00 179.25 178.86 3b8p h GLN 145 N -0.99 0.15 -0.07 0.00 4.15 -1.64 0.23 115.11 116.95 3b8p h GLN 145 Ca -0.09 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 3b8p h GLN 145 Cb 0.71 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 3b8p h GLN 145 CO 0.16 0.10 -0.03 0.00 -1.93 0.00 0.00 178.83 177.12 3b8p h ARG 146 N 0.16 0.14 -0.47 1.69 3.08 -1.50 -2.88 114.38 114.59 3b8p h ARG 146 Ca 0.58 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.50 3b8p h ARG 146 Cb 1.21 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 3b8p h ARG 146 CO -0.71 0.52 0.04 0.07 -1.07 0.00 0.00 179.97 178.82 3b8p h ARG 147 N -0.25 0.81 0.03 0.04 -0.00 -0.42 -1.95 114.38 112.65 3b8p h ARG 147 Ca 0.01 -0.24 0.03 0.00 -0.00 0.00 0.00 59.98 59.78 3b8p h ARG 147 Cb 0.48 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.97 30.32 3b8p h ARG 147 CO 0.01 0.84 -0.30 1.25 -0.00 0.00 0.00 179.97 181.77 3b8p h LEU 148 N 0.67 -0.87 -1.22 0.08 5.85 -0.69 0.48 115.31 119.61 3b8p h LEU 148 Ca 0.14 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3b8p h LEU 148 Cb 0.45 0.35 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3b8p h LEU 148 CO 0.02 -0.37 0.53 0.00 -0.34 0.00 0.00 178.44 178.28 3b8p h ALA 149 N 0.28 1.45 -0.68 1.25 0.00 -1.34 -0.49 119.26 119.74 3b8p h ALA 149 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3b8p h ALA 149 Cb 0.53 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3b8p h ALA 149 CO -0.23 0.49 0.29 1.05 0.00 0.00 0.00 179.25 180.85 3b8p h GLU 150 N 1.06 1.00 -0.58 0.00 -0.00 -0.44 -0.35 114.58 115.27 3b8p h GLU 150 Ca 0.30 -0.17 -0.09 0.00 -0.00 0.00 0.00 59.36 59.41 3b8p h GLU 150 Cb -0.07 -0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 28.49 3b8p h GLU 150 CO -0.07 0.82 0.02 1.88 -0.00 0.00 0.00 179.01 181.65 3b8p h TYR 151 N 0.96 1.09 -0.56 2.06 -1.99 0.14 0.26 116.97 118.93 3b8p h TYR 151 Ca 0.23 -0.18 0.02 0.00 2.00 0.00 0.00 58.73 60.79 3b8p h TYR 151 Cb 0.17 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 3b8p h TYR 151 CO 0.01 0.97 0.35 0.82 -0.00 0.00 0.00 178.16 180.32 3b8p h ILE 152 N 0.90 1.09 -0.60 -2.88 2.04 -0.89 -0.18 117.51 116.98 3b8p h ILE 152 Ca 0.17 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3b8p h ILE 152 Cb 0.53 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3b8p h ILE 152 CO 0.03 0.13 -0.02 -0.61 0.00 0.00 0.00 178.15 177.68 3b8p h GLN 153 N 0.70 1.08 -0.21 2.37 4.15 -0.77 -1.71 115.11 120.72 3b8p h GLN 153 Ca 0.22 -0.35 0.02 0.00 0.77 0.00 0.00 58.65 59.31 3b8p h GLN 153 Cb -0.02 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3b8p h GLN 153 CO -0.08 1.06 0.06 0.37 -1.93 0.00 0.00 178.83 178.31 3b8p h GLN 154 N 0.98 0.14 -0.28 1.69 -0.00 0.55 -1.36 115.11 116.84 3b8p h GLN 154 Ca 0.17 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.75 3b8p h GLN 154 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.02 3b8p h GLN 154 CO 0.03 0.09 -0.06 0.28 0.00 0.00 0.00 178.83 179.18 3b8p h VAL 155 N 0.15 1.28 -0.16 2.39 2.07 -1.02 -2.10 116.25 118.85 3b8p h VAL 155 Ca 0.09 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3b8p h VAL 155 Cb 0.07 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3b8p h VAL 155 CO -0.11 0.34 -0.40 -0.78 0.02 0.00 0.00 177.57 176.64 3b8p h ASP 156 N 0.30 -1.26 0.43 0.57 3.58 -0.98 -0.60 116.42 118.45 3b8p h ASP 156 Ca 0.07 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 3b8p h ASP 156 Cb 0.53 0.52 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 3b8p h ASP 156 CO 0.03 -0.41 -0.33 -0.33 -2.88 0.00 0.00 179.24 175.32 3b8p h GLU 157 N -0.45 -0.72 -0.85 0.28 5.08 -1.27 -0.50 114.58 116.14 3b8p h GLU 157 Ca 0.09 0.05 0.18 0.00 -1.00 0.00 0.00 59.36 58.68 3b8p h GLU 157 Cb 0.61 0.16 -0.16 0.00 0.50 0.00 0.00 28.75 29.86 3b8p h GLU 157 CO -0.41 -0.48 -0.14 1.49 -1.00 0.00 0.00 179.01 178.47 3b8p h GLU 158 N -0.75 0.02 -0.27 2.33 4.81 -0.88 -0.50 114.58 119.34 3b8p h GLU 158 Ca -0.04 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3b8p h GLU 158 Cb 0.65 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3b8p h GLU 158 CO -0.00 0.01 -0.23 0.28 -0.73 0.00 0.00 179.01 178.34 3b8p h VAL 159 N 0.02 1.31 -0.23 0.32 2.07 -0.80 -2.82 116.25 116.12 3b8p h VAL 159 Ca 0.43 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.63 3b8p h VAL 159 Cb 0.72 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.01 3b8p h VAL 159 CO -0.84 0.44 -0.25 0.00 0.02 0.00 0.00 177.57 176.94 3b8p h ALA 160 N 0.71 -0.14 -0.66 1.67 0.00 0.56 -0.32 119.26 121.07 3b8p h ALA 160 Ca 0.05 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.15 3b8p h ALA 160 Cb 0.78 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 3b8p h ALA 160 CO 0.06 -0.68 0.20 0.87 0.00 0.00 0.00 179.25 179.71 3b8p h LYS 161 N -0.26 0.33 0.00 0.00 1.57 -1.44 0.86 116.57 117.63 3b8p h LYS 161 Ca 0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3b8p h LYS 161 Cb 0.46 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3b8p h LYS 161 CO -0.38 0.22 0.00 0.93 -0.57 0.00 0.00 179.45 179.65 3b8p h GLU 162 N 0.34 0.00 0.08 3.15 5.08 -0.84 -1.98 114.58 120.41 3b8p h GLU 162 Ca 0.35 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.39 3b8p h GLU 162 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3b8p h GLU 162 CO -0.40 0.00 -1.73 -0.07 -1.00 0.00 0.00 179.01 175.82 3b8p h LEU 163 N 0.00 0.27 0.01 1.33 3.38 0.33 -3.19 115.31 117.45 3b8p h LEU 163 Ca 0.00 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.51 3b8p h LEU 163 Cb 0.32 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3b8p h LEU 163 CO 0.00 1.43 -0.27 -0.08 0.09 0.00 0.00 178.44 179.61 3b8p h GLU 164 N 0.05 -0.41 -0.49 1.13 4.81 -0.22 -1.65 114.58 117.79 3b8p h GLU 164 Ca -0.31 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.05 3b8p h GLU 164 Cb 2.02 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 31.39 3b8p h GLU 164 CO 0.11 -0.27 -0.21 0.28 -0.73 0.00 0.00 179.01 178.19 3b8p h VAL 165 N -0.42 0.36 0.00 0.32 2.07 -1.54 -1.81 116.25 115.23 3b8p h VAL 165 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3b8p h VAL 165 Cb 0.50 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3b8p h VAL 165 CO -0.23 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 177.80 3b8p h ASP 166 N -0.10 0.00 0.51 0.57 5.19 -1.32 -0.48 116.42 120.79 3b8p h ASP 166 Ca 0.23 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.62 3b8p h ASP 166 Cb 0.46 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.98 3b8p h ASP 166 CO -0.56 0.01 -0.25 0.25 -3.12 0.00 0.00 179.24 175.57 3b8p h LEU 167 N 0.00 -0.58 -0.68 1.55 6.46 -0.49 -2.46 115.31 119.10 3b8p h LEU 167 Ca -0.00 0.02 0.13 0.00 -0.12 0.00 0.00 57.88 57.91 3b8p h LEU 167 Cb 0.02 0.15 -0.13 0.00 -0.73 0.00 0.00 40.66 39.97 3b8p h LEU 167 CO 0.00 -0.22 -0.20 0.11 -0.62 0.00 0.00 178.44 177.51 3b8p h LYS 168 N -1.08 -0.03 -0.14 1.25 1.57 -0.96 0.44 116.57 117.61 3b8p h LYS 168 Ca -0.07 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3b8p h LYS 168 Cb 0.53 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3b8p h LYS 168 CO 0.12 -0.02 0.14 -0.44 -0.57 0.00 0.00 179.45 178.67 3b8p h ASP 169 N -0.03 0.00 0.67 0.86 3.32 -1.14 -0.46 116.42 119.65 3b8p h ASP 169 Ca 0.32 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.15 3b8p h ASP 169 Cb 0.52 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 3b8p h ASP 169 CO -0.71 0.00 -1.46 0.78 -1.72 0.00 0.00 179.24 176.13 3b8p h ASN 170 N 0.00 0.00 0.59 6.45 -0.26 -0.48 -2.91 115.58 118.96 3b8p h ASN 170 Ca 0.07 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 3b8p h ASN 170 Cb 0.34 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.60 3b8p h ASN 170 CO -0.00 0.76 -0.28 0.40 -1.06 0.00 0.00 177.43 177.25 3b8p h ILE 171 N 0.00 0.00 0.00 2.81 2.04 -0.35 -1.81 117.51 120.20 3b8p h ILE 171 Ca -0.20 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3b8p h ILE 171 Cb 1.76 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3b8p h ILE 171 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.62 3b8p n THR 172 N -4.38 0.00 -0.00 -0.27 -1.04 -0.26 -1.40 114.28 106.92 3b8p n THR 172 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 3b8p n THR 172 Cb 0.31 -0.57 -0.01 0.00 -1.82 0.00 0.00 70.33 68.24 3b8p n THR 172 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3b8p n LEU 173 N -0.69 0.00 -0.04 -4.42 -0.00 -1.10 -4.49 117.00 106.27 3b8p n LEU 173 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.88 3b8p n LEU 173 Cb 0.01 0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.32 3b8p n LEU 173 CO 0.02 0.01 0.42 1.56 -0.00 0.00 0.00 177.39 179.40 3b8p h GLN 174 N 0.00 0.09 -0.63 1.96 1.08 -0.33 -3.22 115.11 114.06 3b8p h GLN 174 Ca -0.01 -0.10 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 3b8p h GLN 174 Cb 0.45 0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.83 3b8p h GLN 174 CO 0.00 0.89 -0.46 1.15 -0.95 0.00 0.00 178.83 179.47 3b8p h THR 175 N -0.67 0.00 0.00 -0.54 2.02 -1.52 0.49 112.91 112.69 3b8p h THR 175 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3b8p h THR 175 Cb 0.95 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3b8p h THR 175 CO 0.03 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.21 3b8p n LYS 176 N -4.79 0.22 -0.04 6.66 4.01 -1.25 -0.98 118.16 121.99 3b8p n LYS 176 Ca 0.00 0.04 -0.04 0.00 -0.51 0.00 0.00 58.31 57.81 3b8p n LYS 176 Cb 0.23 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.19 3b8p n LYS 176 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3b8p n THR 177 N -1.06 0.50 0.01 -0.18 -1.04 0.17 -3.96 114.28 108.73 3b8p n THR 177 Ca 0.05 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.05 61.64 3b8p n THR 177 Cb 0.03 -0.81 -0.09 0.00 -1.82 0.00 0.00 70.33 67.64 3b8p n THR 177 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3b8p h LEU 178 N 0.00 -0.08 -0.78 -4.42 3.38 0.19 -2.22 115.31 111.39 3b8p h LEU 178 Ca -0.20 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 3b8p h LEU 178 Cb 1.44 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 3b8p h LEU 178 CO 0.01 0.49 0.43 0.06 0.09 0.00 0.00 178.44 179.51 3b8p h GLN 179 N -0.70 1.08 0.00 1.13 -0.00 -1.28 0.14 115.11 115.48 3b8p h GLN 179 Ca -0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 3b8p h GLN 179 Cb 0.57 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 3b8p h GLN 179 CO 0.02 0.80 0.00 -0.85 -0.00 0.00 0.00 178.83 178.80 3b8p n GLU 180 N -4.44 0.53 -0.00 0.06 0.00 -1.24 -0.77 120.64 114.79 3b8p n GLU 180 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 57.16 57.30 3b8p n GLU 180 Cb 0.09 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 29.98 3b8p n GLU 180 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3b8p n SER 181 N -1.16 1.41 -0.01 -1.84 2.88 -0.74 -3.52 113.62 110.64 3b8p n SER 181 Ca 0.15 -0.43 -0.10 0.00 -1.33 0.00 0.00 58.87 57.15 3b8p n SER 181 Cb 0.15 1.13 -0.08 0.00 -0.75 0.00 0.00 64.21 64.65 3b8p n SER 181 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3b8p h LEU 182 N 0.00 -0.07 -1.12 2.46 3.38 -0.39 -2.58 115.31 116.99 3b8p h LEU 182 Ca 0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3b8p h LEU 182 Cb 0.24 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3b8p h LEU 182 CO 0.00 0.63 0.54 1.05 0.09 0.00 0.00 178.44 180.74 3b8p h GLU 183 N -0.90 1.13 0.00 1.13 4.11 -1.17 -1.19 114.58 117.68 3b8p h GLU 183 Ca -0.01 -0.08 -0.03 0.00 0.07 0.00 0.00 59.36 59.30 3b8p h GLU 183 Cb 0.61 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3b8p h GLU 183 CO 0.01 0.77 -0.16 0.00 0.07 0.00 0.00 179.01 179.70 3b8p h THR 184 N 1.16 0.29 0.18 -1.06 1.03 -1.67 -1.59 112.91 111.25 3b8p h THR 184 Ca 0.31 -1.35 -0.25 0.00 -0.01 0.00 0.00 66.41 65.10 3b8p h THR 184 Cb -0.09 2.10 0.03 0.00 -1.07 0.00 0.00 68.15 69.11 3b8p h THR 184 CO -0.06 0.16 -1.09 1.56 -0.01 0.00 0.00 175.52 176.08 3b8p h GLN 185 N 0.00 0.42 0.00 0.00 4.20 -1.17 -3.20 115.11 115.35 3b8p h GLN 185 Ca -0.00 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 58.02 3b8p h GLN 185 Cb 1.08 0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.12 3b8p h GLN 185 CO 0.02 1.33 0.00 -0.85 -0.67 0.00 0.00 178.83 178.66 3b8p n GLU 186 N -3.95 0.00 0.00 1.46 0.00 -0.48 -1.70 120.64 115.97 3b8p n GLU 186 Ca -0.15 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.23 3b8p n GLU 186 Cb 0.94 -1.19 0.01 0.00 0.00 0.00 0.00 31.44 31.20 3b8p n GLU 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3b8p n VAL 187 N -1.15 0.00 0.00 3.84 0.31 -0.60 -0.89 118.33 119.84 3b8p n VAL 187 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3b8p n VAL 187 Cb 0.00 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 3b8p n VAL 187 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3b8p n VAL 188 N -0.51 0.00 1.04 2.52 0.31 -1.21 -4.45 118.33 116.03 3b8p n VAL 188 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3b8p n VAL 188 Cb 0.00 0.28 0.07 0.00 -0.91 0.00 0.00 33.84 33.27 3b8p n VAL 188 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3b8p n ALA 189 N -1.28 3.89 1.02 3.52 0.00 -0.69 -3.66 120.51 123.32 3b8p n ALA 189 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 53.44 53.01 3b8p n ALA 189 Cb 0.04 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.64 3b8p n ALA 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8p n GLN 190 N -0.88 0.28 -0.44 0.00 10.64 -0.07 -2.75 117.38 124.17 3b8p n GLN 190 Ca 0.07 -0.21 0.09 0.00 -1.83 0.00 0.00 57.00 55.12 3b8p n GLN 190 Cb 0.38 -1.50 0.30 0.00 -0.86 0.00 0.00 30.24 28.56 3b8p n GLN 190 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 3b8p n GLU 191 N -1.17 3.21 -0.00 2.61 0.00 -1.25 -2.79 120.64 121.25 3b8p n GLU 191 Ca 0.06 -2.65 0.00 0.00 0.00 0.00 0.00 57.16 54.57 3b8p n GLU 191 Cb 0.36 -1.67 -0.00 0.00 0.00 0.00 0.00 31.44 30.12 3b8p n GLU 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3b8p n GLN 192 N 1.01 0.53 0.11 3.44 6.02 -1.23 -4.04 117.38 123.22 3b8p n GLN 192 Ca 0.22 -0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.23 3b8p n GLN 192 Cb 0.72 -1.01 -0.00 0.00 1.02 0.00 0.00 30.24 30.97 3b8p n GLN 192 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 3b8p h LYS 193 N 0.00 0.00 -0.73 -1.09 2.10 -1.59 -3.07 116.57 112.18 3b8p h LYS 193 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3b8p h LYS 193 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3b8p h LYS 193 CO 0.00 0.42 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 3b8p n ASP 194 N -3.12 3.97 0.00 7.07 9.92 -1.12 -2.51 116.55 130.76 3b8p n ASP 194 Ca -0.01 -2.01 0.00 0.00 -0.53 0.00 0.00 54.79 52.25 3b8p n ASP 194 Cb 0.75 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 3b8p n ASP 194 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3b8p n LEU 195 N 1.64 1.83 0.00 0.64 4.32 -1.22 -3.76 117.00 120.46 3b8p n LEU 195 Ca 0.25 -1.83 0.00 0.00 -0.02 0.00 0.00 56.01 54.40 3b8p n LEU 195 Cb 0.63 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 3b8p n LEU 195 CO 0.17 0.46 -0.49 -2.11 -1.22 0.00 0.00 177.39 174.20 3b8p n ARG 196 N -0.44 3.39 0.10 3.23 1.85 -1.16 -4.06 116.66 119.56 3b8p n ARG 196 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 3b8p n ARG 196 Cb 0.24 -0.99 -0.14 0.00 -1.05 0.00 0.00 32.46 30.52 3b8p n ARG 196 CO 0.00 0.00 0.00 -0.84 -0.01 0.00 0.00 177.63 176.78 3b8p h ILE 197 N 0.00 1.52 0.00 8.89 -2.65 -1.72 -1.85 117.51 121.70 3b8p h ILE 197 Ca 0.00 -3.10 0.00 0.00 1.03 0.00 0.00 64.86 62.79 3b8p h ILE 197 Cb 0.98 2.93 0.00 0.00 -2.05 0.00 0.00 36.82 38.68 3b8p h ILE 197 CO 0.00 0.90 -0.13 0.11 0.03 0.00 0.00 178.15 179.06 3b8p h LYS 198 N 0.07 0.00 0.00 0.16 6.56 -1.83 -1.41 116.57 120.12 3b8p h LYS 198 Ca -0.12 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.33 3b8p h LYS 198 Cb 1.95 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 33.59 3b8p h LYS 198 CO 0.20 0.00 -0.83 -0.56 -2.06 0.00 0.00 179.45 176.20 3b8p h GLN 199 N 0.00 0.00 -0.00 3.15 -0.00 -1.69 -3.20 115.11 113.36 3b8p h GLN 199 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3b8p h GLN 199 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 3b8p h GLN 199 CO 0.00 0.47 -0.26 0.44 -0.00 0.00 0.00 178.83 179.48 3b8p n ILE 200 N -3.13 0.00 0.00 1.86 -5.35 -0.70 -4.84 119.36 107.20 3b8p n ILE 200 Ca -0.02 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3b8p n ILE 200 Cb 0.78 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 3b8p n ILE 200 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 3b8p n GLU 201 N -1.43 0.00 0.26 6.28 0.00 -0.56 -5.04 120.64 120.15 3b8p n GLU 201 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 57.16 57.39 3b8p n GLU 201 Cb 0.33 0.00 0.86 0.00 0.00 0.00 0.00 31.44 32.63 3b8p n GLU 201 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3b8p h GLU 202 N 0.00 0.00 -5.50 3.44 9.09 -1.89 -3.49 114.58 116.23 3b8p h GLU 202 Ca 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.19 3b8p h GLU 202 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 3b8p h GLU 202 CO 0.00 0.00 0.63 0.00 0.05 0.00 0.00 179.01 179.69 3b8p s ALA 253 N -3.85 1.38 -0.61 1.06 0.00 -1.26 -5.02 121.76 113.46 3b8p s ALA 253 Ca -0.04 -1.59 0.13 0.00 0.00 0.00 0.00 51.96 50.46 3b8p s ALA 253 Cb 0.09 -4.62 -0.14 0.00 0.00 0.00 0.00 23.12 18.45 3b8p s ALA 253 CO 0.29 -5.42 0.55 0.66 0.00 0.00 0.00 175.76 171.84 3b8p n TYR 254 N 15.67 0.00 0.09 0.00 4.02 -1.26 -3.80 117.16 131.88 3b8p n TYR 254 Ca 0.43 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 58.25 3b8p n TYR 254 Cb 0.46 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.79 3b8p n TYR 254 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3b8p h TYR 255 N 0.00 0.21 -0.11 -0.72 0.99 -2.05 -3.09 116.97 112.20 3b8p h TYR 255 Ca 0.00 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.58 3b8p h TYR 255 Cb 0.31 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.01 3b8p h TYR 255 CO 0.00 0.91 -0.09 -0.56 -0.00 0.00 0.00 178.16 178.42 3b8p h GLN 256 N 0.08 0.16 0.00 4.88 -0.00 -1.99 -1.93 115.11 116.32 3b8p h GLN 256 Ca -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 3b8p h GLN 256 Cb 1.45 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.48 28.90 3b8p h GLN 256 CO 0.12 0.27 -0.04 1.15 -0.00 0.00 0.00 178.83 180.33 3b8p h THR 257 N 0.16 0.96 0.11 1.86 2.02 -1.67 0.60 112.91 116.95 3b8p h THR 257 Ca 0.04 -0.13 -0.28 0.00 0.77 0.00 0.00 66.41 66.80 3b8p h THR 257 Cb 0.27 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3b8p h THR 257 CO 0.01 0.04 -1.35 0.11 0.37 0.00 0.00 175.52 174.70 3b8p h LYS 258 N 0.00 0.24 -0.41 6.66 1.57 -1.47 -2.82 116.57 120.34 3b8p h LYS 258 Ca -0.00 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 3b8p h LYS 258 Cb 0.07 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3b8p h LYS 258 CO 0.00 1.15 0.09 -0.56 -0.57 0.00 0.00 179.45 179.56 3b8p h GLN 259 N 0.07 0.66 0.15 3.15 3.07 -0.74 -1.51 115.11 119.96 3b8p h GLN 259 Ca -0.17 -0.17 0.02 0.00 0.09 0.00 0.00 58.65 58.42 3b8p h GLN 259 Cb 1.98 -0.08 -0.04 0.00 0.08 0.00 0.00 27.48 29.41 3b8p h GLN 259 CO 0.18 0.69 -0.45 1.15 0.09 0.00 0.00 178.83 180.49 3b8p h THR 260 N 0.52 0.11 -0.55 1.86 2.02 0.02 -1.52 112.91 115.37 3b8p h THR 260 Ca 0.13 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.47 3b8p h THR 260 Cb 0.33 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3b8p h THR 260 CO 0.00 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.37 3b8p h LEU 261 N -0.70 0.00 0.12 2.58 3.38 -1.19 0.16 115.31 119.65 3b8p h LEU 261 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 3b8p h LEU 261 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3b8p h LEU 261 CO -0.24 0.00 -1.36 0.17 0.09 0.00 0.00 178.44 177.10 3b8p h LEU 262 N 0.00 0.40 -0.48 1.67 -0.00 -0.32 -1.63 115.31 114.94 3b8p h LEU 262 Ca 0.26 -0.47 -0.14 0.00 -0.00 0.00 0.00 57.88 57.52 3b8p h LEU 262 Cb 1.34 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 3b8p h LEU 262 CO -0.00 1.38 -0.32 0.44 -0.00 0.00 0.00 178.44 179.94 3b8p h ASP 263 N 0.07 0.95 -0.10 0.17 3.32 -0.09 0.12 116.42 120.86 3b8p h ASP 263 Ca -0.18 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.49 3b8p h ASP 263 Cb 1.99 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 41.26 3b8p h ASP 263 CO 0.18 1.18 -0.01 0.40 -1.72 0.00 0.00 179.24 179.28 3b8p h ILE 264 N 0.76 0.92 -0.19 0.35 2.04 -0.87 -1.55 117.51 118.98 3b8p h ILE 264 Ca 0.08 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 3b8p h ILE 264 Cb 0.89 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3b8p h ILE 264 CO 0.08 0.00 -0.15 0.11 0.00 0.00 0.00 178.15 178.20 3b8p h LYS 265 N 0.02 0.31 -1.03 2.37 1.57 -1.14 -2.55 116.57 116.13 3b8p h LYS 265 Ca 0.05 -0.08 -0.44 0.00 -1.87 0.00 0.00 60.65 58.30 3b8p h LYS 265 Cb 0.06 -0.04 -0.25 0.00 0.08 0.00 0.00 32.23 32.08 3b8p h LYS 265 CO -0.09 0.46 0.56 0.27 -0.57 0.00 0.00 179.45 180.08 3b8p n ASN 266 N -4.24 4.12 -2.95 0.86 2.04 0.40 -4.65 115.26 110.85 3b8p n ASN 266 Ca -0.00 -3.34 -0.29 0.00 -0.44 0.00 0.00 54.58 50.50 3b8p n ASN 266 Cb 0.30 -0.81 -0.02 0.00 -2.53 0.00 0.00 39.78 36.72 3b8p n ASN 266 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3b8p n LEU 267 N -0.80 5.02 -4.71 -4.53 -0.00 -0.62 -4.93 117.00 106.43 3b8p n LEU 267 Ca 0.49 -5.53 -0.41 0.00 -0.00 0.00 0.00 56.01 50.55 3b8p n LEU 267 Cb 1.35 -0.64 -0.03 0.00 -0.00 0.00 0.00 43.42 44.09 3b8p n LEU 267 CO 0.52 2.28 0.62 -0.54 -0.00 0.00 0.00 177.39 180.26 3b8p s LYS 268 N -3.62 4.51 -0.16 1.47 3.01 -1.26 -5.03 119.74 118.65 3b8p s LYS 268 Ca 0.48 1.27 0.01 0.00 -1.01 0.00 0.00 55.97 56.71 3b8p s LYS 268 Cb 0.30 -3.47 0.02 0.00 -1.01 0.00 0.00 37.83 33.67 3b8p s LYS 268 CO -0.16 -0.06 -0.17 0.08 0.51 0.00 0.00 175.35 175.55 3b8p s VAL 269 N 1.10 1.79 0.47 3.17 1.01 -1.26 -5.12 120.40 121.56 3b8p s VAL 269 Ca 0.48 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 3b8p s VAL 269 Cb -0.20 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 3b8p s VAL 269 CO 0.24 0.50 1.43 0.41 0.00 0.00 0.00 175.10 177.67 3b8p n THR 270 N 4.64 2.98 -0.18 3.92 -1.04 -1.26 -4.96 114.28 118.38 3b8p n THR 270 Ca -0.19 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.21 3b8p n THR 270 Cb 0.50 -1.82 0.01 0.00 -1.82 0.00 0.00 70.33 67.19 3b8p n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3b8p h ALA 271 N 2.16 0.72 -0.10 2.41 0.00 -1.99 -3.30 119.26 119.15 3b8p h ALA 271 Ca -0.51 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.06 3b8p h ALA 271 Cb 1.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3b8p h ALA 271 CO 0.60 0.67 0.30 0.38 0.00 0.00 0.00 179.25 181.21 3b8p h ASP 272 N 0.90 0.00 0.05 0.00 3.04 -2.01 -3.05 116.42 115.34 3b8p h ASP 272 Ca 0.13 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.69 3b8p h ASP 272 Cb 0.73 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 39.04 3b8p h ASP 272 CO 0.06 0.00 -0.92 0.74 -2.04 0.00 0.00 179.24 177.08 3b8p h THR 273 N 0.00 1.36 -2.65 1.15 2.02 -1.97 -3.46 112.91 109.36 3b8p h THR 273 Ca 0.05 -2.28 -0.56 0.00 0.77 0.00 0.00 66.41 64.39 3b8p h THR 273 Cb 0.65 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 3b8p h THR 273 CO -0.00 0.68 1.12 -0.69 0.37 0.00 0.00 175.52 177.00 3b8p s VAL 274 N -3.08 3.62 -0.04 3.16 1.01 -1.16 -4.83 120.40 119.07 3b8p s VAL 274 Ca -0.11 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.64 3b8p s VAL 274 Cb 0.05 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3b8p s VAL 274 CO 0.88 -0.16 -0.22 -1.00 0.00 0.00 0.00 175.10 174.59 3b8p s HIS 275 N 4.76 2.11 -0.67 5.22 3.76 -1.24 -4.88 115.29 124.36 3b8p s HIS 275 Ca 0.74 -0.56 0.18 0.00 -0.15 0.00 0.00 55.06 55.26 3b8p s HIS 275 Cb -0.29 -1.39 -0.22 0.00 1.11 0.00 0.00 32.58 31.79 3b8p s HIS 275 CO 0.29 -0.15 0.68 0.28 -0.85 0.00 0.00 174.74 175.00 3b8p n VAL 276 N 2.89 0.00 -4.04 -0.90 0.31 -1.26 -4.77 118.33 110.55 3b8p n VAL 276 Ca -0.17 -0.15 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 3b8p n VAL 276 Cb 0.52 0.79 -0.08 0.00 -0.91 0.00 0.00 33.84 34.16 3b8p n VAL 276 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 3b8p s TYR 277 N -2.83 0.57 0.02 3.52 -0.85 -1.26 -3.78 117.35 112.74 3b8p s TYR 277 Ca 0.04 -0.96 0.04 0.00 -0.52 0.00 0.00 57.07 55.67 3b8p s TYR 277 Cb 0.13 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 3b8p s TYR 277 CO 0.75 -0.59 -0.13 0.50 -1.52 0.00 0.00 175.55 174.55 3b8p s ARG 278 N -3.99 0.92 0.58 -3.49 3.52 -0.44 -4.67 118.95 111.38 3b8p s ARG 278 Ca 0.18 -0.60 -0.15 0.00 -0.13 0.00 0.00 55.73 55.03 3b8p s ARG 278 Cb 0.06 -0.90 -0.05 0.00 -1.56 0.00 0.00 34.95 32.49 3b8p s ARG 278 CO -0.01 0.23 1.03 0.71 -0.81 0.00 0.00 175.30 176.45 3b8p s TYR 279 N -0.61 3.23 -0.08 5.12 1.51 -1.26 -0.03 117.35 125.23 3b8p s TYR 279 Ca 0.02 1.46 0.01 0.00 -1.01 0.00 0.00 57.07 57.55 3b8p s TYR 279 Cb -0.06 -2.89 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 3b8p s TYR 279 CO 0.00 -0.81 0.51 0.28 -1.11 0.00 0.00 175.55 174.42 3b8p n VAL 280 N -2.05 0.00 -4.26 0.71 0.31 0.43 -4.73 118.33 108.74 3b8p n VAL 280 Ca 0.08 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.68 3b8p n VAL 280 Cb 0.53 1.01 -0.12 0.00 -0.91 0.00 0.00 33.84 34.36 3b8p n VAL 280 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3b8p s LYS 282 N -0.08 1.05 0.31 5.55 -0.14 -1.26 -4.95 119.74 120.22 3b8p s LYS 282 Ca 0.01 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.19 3b8p s LYS 282 Cb 0.01 -1.23 -0.12 0.00 -1.68 0.00 0.00 37.83 34.80 3b8p s LYS 282 CO 0.01 0.28 1.45 -0.35 -0.76 0.00 0.00 175.35 175.98 3b8p n PRO 283 N 1.07 2.39 -2.47 -1.68 -0.04 -1.26 -4.68 135.00 128.32 3b8p n PRO 283 Ca -0.19 0.84 -0.30 0.00 -0.04 0.00 0.00 63.50 63.81 3b8p n PRO 283 Cb 0.54 -2.53 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 3b8p n PRO 283 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3b8p s THR 284 N -0.53 4.76 -0.38 0.52 -4.23 -1.01 -4.86 115.64 109.91 3b8p s THR 284 Ca 0.60 0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 61.61 3b8p s THR 284 Cb -0.55 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.49 3b8p s THR 284 CO 0.56 -0.80 0.38 -0.22 -0.54 0.00 0.00 174.62 173.99 3b8p s LEU 285 N -4.49 4.71 0.27 4.79 2.96 -1.26 -4.19 118.68 121.48 3b8p s LEU 285 Ca 0.52 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 3b8p s LEU 285 Cb -0.10 -2.32 -0.10 0.00 0.50 0.00 0.00 46.19 44.16 3b8p s LEU 285 CO 0.41 -0.45 1.37 -2.16 -1.32 0.00 0.00 176.35 174.20 3b8p s PRO 286 N 2.00 4.32 -0.25 0.98 0.04 -1.26 -4.93 135.00 135.90 3b8p s PRO 286 Ca 0.11 2.23 -0.12 0.00 0.04 0.00 0.00 61.00 63.26 3b8p s PRO 286 Cb -0.17 -3.11 -0.15 0.00 0.04 0.00 0.00 34.50 31.11 3b8p s PRO 286 CO 0.12 -0.31 -0.18 1.33 0.04 0.00 0.00 177.00 178.00 3b8p n VAL 287 N 1.77 1.54 -2.26 -0.36 0.24 -1.26 -4.92 118.33 113.08 3b8p n VAL 287 Ca 0.04 -0.38 -0.27 0.00 -2.04 0.00 0.00 64.34 61.69 3b8p n VAL 287 Cb 0.41 -1.80 0.05 0.00 -1.47 0.00 0.00 33.84 31.03 3b8p n VAL 287 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3b8p s ARG 288 N -2.49 2.61 0.33 7.34 3.00 -1.26 -5.11 118.95 123.37 3b8p s ARG 288 Ca -0.35 -0.06 0.07 0.00 0.00 0.00 0.00 55.73 55.40 3b8p s ARG 288 Cb 0.12 -2.20 -0.03 0.00 0.00 0.00 0.00 34.95 32.84 3b8p s ARG 288 CO 0.55 -0.96 0.31 1.03 0.00 0.00 0.00 175.30 176.23 3b8p s ARG 289 N -5.14 2.78 0.40 3.54 1.81 -1.26 -4.87 118.95 116.20 3b8p s ARG 289 Ca 0.57 -1.25 -0.25 0.00 -1.72 0.00 0.00 55.73 53.08 3b8p s ARG 289 Cb -0.11 -2.52 -0.09 0.00 -0.45 0.00 0.00 34.95 31.79 3b8p s ARG 289 CO 0.46 0.10 1.10 -0.51 -0.68 0.00 0.00 175.30 175.77 3b8p s ASP 290 N -4.01 6.65 -0.15 0.23 -0.00 -0.74 -5.04 116.67 113.62 3b8p s ASP 290 Ca 0.41 2.18 -0.05 0.00 -0.00 0.00 0.00 52.55 55.09 3b8p s ASP 290 Cb -0.06 -2.60 -0.03 0.00 -0.00 0.00 0.00 42.92 40.22 3b8p s ASP 290 CO 0.27 -0.57 0.02 -0.94 -0.00 0.00 0.00 175.17 173.94 3b8p s SER 291 N -1.36 5.28 0.00 0.27 1.04 -1.26 -4.84 113.70 112.84 3b8p s SER 291 Ca 0.57 0.04 0.30 0.00 0.48 0.00 0.00 55.95 57.34 3b8p s SER 291 Cb -0.26 -1.78 1.40 0.00 0.10 0.00 0.00 66.02 65.48 3b8p s SER 291 CO 0.33 0.24 1.94 -0.81 0.98 0.00 0.00 173.24 175.92