#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1g h SER 28 N 0.00 0.81 -0.39 1.96 4.64 -1.99 0.17 113.55 118.75 2p1g h SER 28 Ca 0.00 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.26 2p1g h SER 28 Cb 0.00 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 2p1g h SER 28 CO 0.00 0.66 0.20 0.78 -0.87 0.00 0.00 176.83 177.61 2p1g h ASN 29 N 0.89 0.31 -0.55 4.97 2.35 -2.00 -2.33 115.58 119.22 2p1g h ASN 29 Ca 0.23 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 56.02 2p1g h ASN 29 Cb 0.03 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 2p1g h ASN 29 CO -0.04 0.22 0.33 1.23 -1.65 0.00 0.00 177.43 177.52 2p1g h GLY 30 N 0.41 0.78 2.00 2.83 0.00 -1.71 -2.74 103.07 104.64 2p1g h GLY 30 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2p1g h GLY 30 CO -0.10 0.21 -0.18 1.41 0.00 0.00 0.00 176.54 177.87 2p1g h LEU 31 N 0.66 0.00 -1.99 3.11 3.38 -0.31 -1.66 115.31 118.50 2p1g h LEU 31 Ca 0.22 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.33 2p1g h LEU 31 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2p1g h LEU 31 CO -0.10 0.18 0.45 1.23 0.09 0.00 0.00 178.44 180.30 2p1g h GLY 32 N 0.70 0.00 1.09 0.83 0.00 -1.11 -1.94 103.07 102.65 2p1g h GLY 32 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2p1g h GLY 32 CO 0.02 0.00 -0.25 0.69 0.00 0.00 0.00 176.54 177.00 2p1g n PHE 33 N -3.85 0.00 -1.68 5.60 3.72 -0.62 -4.92 117.46 115.70 2p1g n PHE 33 Ca 0.09 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.04 2p1g n PHE 33 Cb 0.65 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 2p1g n PHE 33 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2p1g n VAL 34 N -1.24 0.22 -0.03 -4.37 0.31 -0.73 -0.37 118.33 112.11 2p1g n VAL 34 Ca 0.09 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2p1g n VAL 34 Cb 0.32 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2p1g n VAL 34 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2p1g n ASP 35 N 3.20 0.00 -4.73 4.52 8.00 -0.07 -4.97 116.55 122.50 2p1g n ASP 35 Ca 0.15 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 2p1g n ASP 35 Cb 0.31 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.38 2p1g n ASP 35 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2p1g s THR 36 N -2.64 2.40 0.53 -3.53 2.01 0.50 -4.68 115.64 110.23 2p1g s THR 36 Ca 0.00 0.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.10 2p1g s THR 36 Cb 0.00 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 2p1g s THR 36 CO 0.00 0.04 1.31 -2.84 -0.69 0.00 0.00 174.62 172.44 2p1g s PRO 37 N 0.25 3.25 0.28 4.92 0.02 -1.26 -0.89 135.00 141.58 2p1g s PRO 37 Ca 0.66 2.12 -0.29 0.00 0.02 0.00 0.00 61.00 63.51 2p1g s PRO 37 Cb -0.45 -2.27 -0.09 0.00 0.02 0.00 0.00 34.50 31.71 2p1g s PRO 37 CO 0.39 -1.06 1.03 -0.47 -0.33 0.00 0.00 177.00 176.56 2p1g s TYR 38 N -1.36 3.69 -0.20 6.54 5.04 -0.45 -1.93 117.35 128.67 2p1g s TYR 38 Ca 0.70 1.77 -0.11 0.00 -2.44 0.00 0.00 57.07 56.99 2p1g s TYR 38 Cb -0.38 -3.14 0.06 0.00 0.35 0.00 0.00 41.96 38.86 2p1g s TYR 38 CO 0.44 -0.17 0.49 0.21 -1.34 0.00 0.00 175.55 175.19 2p1g s LYS 39 N -1.53 0.49 0.38 4.97 2.20 -0.38 -4.74 119.74 121.12 2p1g s LYS 39 Ca 0.45 0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 56.93 2p1g s LYS 39 Cb -0.28 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.03 2p1g s LYS 39 CO 0.35 -0.15 0.64 0.00 -0.36 0.00 0.00 175.35 175.83 2p1g s ALA 40 N 1.41 3.56 -0.03 3.13 0.00 -1.26 -3.54 121.76 125.03 2p1g s ALA 40 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2p1g s ALA 40 Cb -0.07 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2p1g s ALA 40 CO -0.14 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2p1g n GLY 41 N -1.70 0.47 0.26 0.00 0.00 -1.26 -4.91 105.19 98.05 2p1g n GLY 41 Ca -0.02 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.84 2p1g n GLY 41 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2p1g h THR 42 N 0.00 0.69 -0.06 2.61 1.35 -1.94 -1.90 112.91 113.67 2p1g h THR 42 Ca -0.01 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2p1g h THR 42 Cb 0.06 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2p1g h THR 42 CO 0.01 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 2p1g n LEU 43 N -3.85 1.77 -1.02 3.87 4.77 -1.26 -4.15 117.00 117.13 2p1g n LEU 43 Ca -0.02 -0.63 0.09 0.00 -0.03 0.00 0.00 56.01 55.41 2p1g n LEU 43 Cb 0.20 -0.03 0.24 0.00 -2.33 0.00 0.00 43.42 41.50 2p1g n LEU 43 CO 0.31 0.32 0.71 -0.62 -1.33 0.00 0.00 177.39 176.77 2p1g n GLU 44 N 0.38 2.79 0.23 3.23 -0.58 -0.71 -4.66 120.64 121.32 2p1g n GLU 44 Ca 0.18 -2.37 0.12 0.00 -0.42 0.00 0.00 57.16 54.67 2p1g n GLU 44 Cb 0.39 -1.43 0.38 0.00 -0.57 0.00 0.00 31.44 30.21 2p1g n GLU 44 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2p1g h VAL 45 N 3.24 0.20 -2.12 2.62 -1.51 -1.72 -3.45 116.25 113.51 2p1g h VAL 45 Ca 0.00 -0.99 -0.50 0.00 -1.23 0.00 0.00 66.70 63.98 2p1g h VAL 45 Cb 0.87 1.84 -0.05 0.00 -2.13 0.00 0.00 31.29 31.82 2p1g h VAL 45 CO 0.00 0.09 -0.51 -1.81 -1.23 0.00 0.00 177.57 174.11 2p1g s ASP 46 N -6.06 5.43 0.33 4.19 1.01 -1.26 -5.04 116.67 115.26 2p1g s ASP 46 Ca 0.03 -0.32 0.21 0.00 0.71 0.00 0.00 52.55 53.19 2p1g s ASP 46 Cb 0.08 -1.29 0.17 0.00 1.01 0.00 0.00 42.92 42.89 2p1g s ASP 46 CO 0.63 -0.11 1.38 0.44 0.21 0.00 0.00 175.17 177.72 2p1g h ASP 47 N 1.45 0.00 -3.34 0.27 3.32 -1.99 -3.45 116.42 112.69 2p1g h ASP 47 Ca -0.47 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 55.91 2p1g h ASP 47 Cb 1.24 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.60 2p1g h ASP 47 CO 0.60 0.12 -0.83 0.42 -1.72 0.00 0.00 179.24 177.83 2p1g s THR 48 N -3.19 2.35 -0.17 0.35 -4.23 -1.26 -5.08 115.64 104.41 2p1g s THR 48 Ca 0.04 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.29 2p1g s THR 48 Cb 0.07 -2.11 -0.00 0.00 1.34 0.00 0.00 72.50 71.80 2p1g s THR 48 CO 0.72 -0.07 1.02 -0.70 -0.54 0.00 0.00 174.62 175.05 2p1g s GLU 49 N -2.55 4.34 0.23 3.99 2.56 -1.26 -5.01 118.70 120.99 2p1g s GLU 49 Ca 0.19 1.37 -0.11 0.00 0.00 0.00 0.00 54.97 56.42 2p1g s GLU 49 Cb -0.08 -3.59 -0.01 0.00 2.00 0.00 0.00 34.13 32.45 2p1g s GLU 49 CO 0.09 -0.48 0.42 0.34 -0.56 0.00 0.00 175.26 175.07 2p1g s ASP 50 N 1.15 -0.06 -0.13 -1.70 -1.08 -1.26 -4.62 116.67 108.97 2p1g s ASP 50 Ca 0.46 -0.93 -0.29 0.00 -0.52 0.00 0.00 52.55 51.27 2p1g s ASP 50 Cb -0.17 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.80 2p1g s ASP 50 CO 0.12 -1.06 1.54 -0.22 0.52 0.00 0.00 175.17 176.07 2p1g s LEU 51 N -3.01 4.16 -0.18 -1.34 2.96 -1.26 -4.98 118.68 115.03 2p1g s LEU 51 Ca 0.22 1.92 -0.03 0.00 -0.22 0.00 0.00 54.13 56.01 2p1g s LEU 51 Cb 0.01 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 2p1g s LEU 51 CO 0.07 -0.98 -0.04 -0.63 -1.32 0.00 0.00 176.35 173.44 2p1g s ILE 52 N 4.24 3.64 -0.36 6.68 1.01 -1.26 -5.07 121.20 130.09 2p1g s ILE 52 Ca 0.68 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 2p1g s ILE 52 Cb -0.28 -2.61 0.08 0.00 0.01 0.00 0.00 42.46 39.66 2p1g s ILE 52 CO 0.26 0.47 0.11 -0.63 0.00 0.00 0.00 174.94 175.14 2p1g s ILE 53 N 0.78 3.13 -0.52 2.92 1.01 -1.26 -5.01 121.20 122.24 2p1g s ILE 53 Ca -0.02 -1.76 0.03 0.00 0.00 0.00 0.00 60.65 58.90 2p1g s ILE 53 Cb -0.15 -3.00 0.15 0.00 0.01 0.00 0.00 42.46 39.47 2p1g s ILE 53 CO 0.02 -0.43 0.33 0.21 0.00 0.00 0.00 174.94 175.07 2p1g s ASN 54 N 1.52 3.66 0.00 3.58 3.04 -1.26 -4.95 114.94 120.53 2p1g s ASN 54 Ca 0.03 -3.11 0.29 0.00 0.04 0.00 0.00 52.86 50.11 2p1g s ASN 54 Cb -0.21 -1.16 1.28 0.00 -1.54 0.00 0.00 41.25 39.61 2p1g s ASN 54 CO -0.03 -0.19 1.88 0.00 -3.04 0.00 0.00 177.10 175.72 2p1g h ASP 56 N 1.08 0.00 -3.07 0.00 3.32 -1.94 -3.44 116.42 112.36 2p1g h ASP 56 Ca 0.00 -0.15 -0.26 0.00 0.02 0.00 0.00 57.03 56.64 2p1g h ASP 56 Cb 0.34 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.55 2p1g h ASP 56 CO 0.00 0.08 -0.59 -1.61 -1.72 0.00 0.00 179.24 175.39 2p1g s GLU 57 N -3.21 0.08 0.12 3.56 2.02 -1.24 -4.12 118.70 115.91 2p1g s GLU 57 Ca 0.05 0.60 0.05 0.00 0.02 0.00 0.00 54.97 55.68 2p1g s GLU 57 Cb 0.12 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.12 2p1g s GLU 57 CO 0.73 -0.28 -0.12 0.14 0.02 0.00 0.00 175.26 175.75 2p1g s VAL 58 N 2.16 1.17 0.16 2.63 -7.23 -0.81 -4.74 120.40 113.73 2p1g s VAL 58 Ca 0.01 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2p1g s VAL 58 Cb -0.12 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.26 2p1g s VAL 58 CO -0.07 -0.56 0.11 -0.90 -0.31 0.00 0.00 175.10 173.37 2p1g n ASP 59 N 0.32 1.57 0.07 4.85 5.68 -1.23 -1.24 116.55 126.56 2p1g n ASP 59 Ca -0.14 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 2p1g n ASP 59 Cb 0.58 -0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.88 2p1g n ASP 59 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2p1g h THR 61 N 0.32 1.39 -0.37 0.00 2.02 -1.95 -3.28 112.91 111.05 2p1g h THR 61 Ca 0.06 -2.47 -0.07 0.00 0.77 0.00 0.00 66.41 64.70 2p1g h THR 61 Cb 0.46 3.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.91 2p1g h THR 61 CO 0.03 0.68 -0.07 0.71 0.37 0.00 0.00 175.52 177.24 2p1g h THR 62 N -0.45 1.23 -0.25 3.16 1.35 -1.93 -0.04 112.91 115.99 2p1g h THR 62 Ca -0.18 -1.00 0.06 0.00 -0.55 0.00 0.00 66.41 64.74 2p1g h THR 62 Cb 1.59 1.03 -0.07 0.00 -1.73 0.00 0.00 68.15 68.97 2p1g h THR 62 CO 0.09 0.34 -0.26 0.15 -0.25 0.00 0.00 175.52 175.59 2p1g h PHE 63 N 0.57 -0.69 -0.50 4.73 3.57 -1.48 0.67 116.94 123.81 2p1g h PHE 63 Ca 0.11 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 2p1g h PHE 63 Cb 0.47 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2p1g h PHE 63 CO 0.02 -0.33 -0.14 0.28 -2.23 0.00 0.00 178.31 175.91 2p1g h VAL 64 N -0.26 1.27 -0.28 1.41 2.07 -1.44 -1.30 116.25 117.71 2p1g h VAL 64 Ca 0.14 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2p1g h VAL 64 Cb 0.48 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2p1g h VAL 64 CO -0.40 0.44 0.15 -0.33 0.02 0.00 0.00 177.57 177.45 2p1g h GLU 65 N 0.84 0.39 -0.51 1.57 5.08 -0.66 -0.20 114.58 121.10 2p1g h GLU 65 Ca 0.13 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2p1g h GLU 65 Cb 0.69 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2p1g h GLU 65 CO 0.05 0.34 0.22 1.88 -1.00 0.00 0.00 179.01 180.51 2p1g h TYR 66 N 0.33 0.75 -0.55 4.33 0.05 -0.65 -0.19 116.97 121.05 2p1g h TYR 66 Ca 0.10 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 58.85 2p1g h TYR 66 Cb 0.07 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 2p1g h TYR 66 CO -0.03 0.61 0.34 0.00 -1.05 0.00 0.00 178.16 178.02 2p1g h ALA 67 N 1.07 0.70 -0.25 3.88 0.00 -1.04 -0.46 119.26 123.15 2p1g h ALA 67 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2p1g h ALA 67 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2p1g h ALA 67 CO -0.02 0.07 0.04 1.25 0.00 0.00 0.00 179.25 180.59 2p1g h LEU 68 N 0.68 0.41 -1.01 0.00 5.85 -0.85 -0.91 115.31 119.47 2p1g h LEU 68 Ca 0.21 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2p1g h LEU 68 Cb -0.01 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2p1g h LEU 68 CO -0.08 0.57 0.67 0.00 -0.34 0.00 0.00 178.44 179.25 2p1g h ALA 69 N 0.86 1.29 -0.11 1.25 0.00 -0.79 -1.05 119.26 120.71 2p1g h ALA 69 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2p1g h ALA 69 Cb 0.33 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2p1g h ALA 69 CO 0.01 0.63 -0.00 0.52 0.00 0.00 0.00 179.25 180.40 2p1g h MET 70 N 1.34 0.20 0.00 0.00 2.86 -0.98 -3.22 114.93 115.13 2p1g h MET 70 Ca 0.38 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.93 2p1g h MET 70 Cb -0.11 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 2p1g h MET 70 CO -0.09 0.46 -0.09 0.00 1.06 0.00 0.00 176.91 178.25 2p1g h ALA 71 N 0.73 1.70 0.00 6.32 0.00 -0.62 -1.70 119.26 125.70 2p1g h ALA 71 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2p1g h ALA 71 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2p1g h ALA 71 CO 0.01 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.65 2p1g n LEU 72 N -4.21 0.48 -4.81 0.00 4.77 -0.45 -4.86 117.00 107.93 2p1g n LEU 72 Ca -0.03 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 56.19 2p1g n LEU 72 Cb 0.17 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 2p1g n LEU 72 CO 0.33 -0.25 0.69 0.00 -1.33 0.00 0.00 177.39 176.83 2p1g s PRO 74 N -3.35 3.24 0.00 0.00 0.02 -1.26 -4.95 135.00 128.70 2p1g s PRO 74 Ca 0.64 2.10 0.17 0.00 0.02 0.00 0.00 61.00 63.94 2p1g s PRO 74 Cb -0.13 -2.25 -0.18 0.00 0.02 0.00 0.00 34.50 31.96 2p1g s PRO 74 CO 0.20 -1.07 0.76 1.04 -0.33 0.00 0.00 177.00 177.60 2p1g n GLN 75 N -0.98 1.24 -3.19 5.54 6.02 -1.26 -4.81 117.38 119.93 2p1g n GLN 75 Ca 0.10 -0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.64 2p1g n GLN 75 Cb 0.46 -1.33 -0.05 0.00 1.02 0.00 0.00 30.24 30.34 2p1g n GLN 75 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2p1g s GLN 76 N -2.61 4.34 0.25 -1.09 -1.52 -1.26 -4.98 119.66 112.78 2p1g s GLN 76 Ca 0.07 0.73 -0.04 0.00 -1.95 0.00 0.00 55.36 54.18 2p1g s GLN 76 Cb 0.13 -3.37 0.48 0.00 -0.22 0.00 0.00 33.01 30.03 2p1g s GLN 76 CO 0.70 0.30 1.73 0.78 -0.25 0.00 0.00 175.29 178.55 2p1g h GLY 77 N 5.91 1.17 0.58 3.09 0.00 -1.98 -1.37 103.07 110.47 2p1g h GLY 77 Ca -0.44 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2p1g h GLY 77 CO 0.71 -0.11 -0.02 2.09 0.00 0.00 0.00 176.54 179.21 2p1g n ASP 78 N -5.00 0.53 0.00 0.19 5.68 -1.26 -2.87 116.55 113.82 2p1g n ASP 78 Ca 0.15 -1.03 0.10 0.00 -0.50 0.00 0.00 54.79 53.52 2p1g n ASP 78 Cb 0.43 -0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.32 2p1g n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2p1g n GLU 79 N -0.66 0.10 -2.15 0.11 1.02 -0.53 -4.97 120.64 113.55 2p1g n GLU 79 Ca 0.20 -0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.91 2p1g n GLU 79 Cb 0.22 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 2p1g n GLU 79 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2p1g s MET 80 N -3.08 4.35 0.09 3.49 -1.94 -1.12 -4.83 119.30 116.27 2p1g s MET 80 Ca 0.06 2.14 0.07 0.00 -1.71 0.00 0.00 55.69 56.25 2p1g s MET 80 Cb 0.16 -3.16 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 2p1g s MET 80 CO 0.85 -0.29 -0.18 -0.65 -0.01 0.00 0.00 175.02 174.74 2p1g s GLN 81 N -0.38 1.01 0.08 2.03 -0.21 -1.26 -5.09 119.66 115.85 2p1g s GLN 81 Ca 0.56 -1.09 -0.32 0.00 0.02 0.00 0.00 55.36 54.53 2p1g s GLN 81 Cb -0.38 -1.18 -0.11 0.00 1.00 0.00 0.00 33.01 32.33 2p1g s GLN 81 CO 0.41 0.27 1.81 -1.91 -2.12 0.00 0.00 175.29 173.76 2p1g n GLU 82 N 1.15 2.58 -1.04 2.91 2.13 -1.26 -2.05 120.64 125.05 2p1g n GLU 82 Ca -0.20 0.94 -0.01 0.00 0.66 0.00 0.00 57.16 58.54 2p1g n GLU 82 Cb 0.54 -2.81 -0.01 0.00 0.27 0.00 0.00 31.44 29.43 2p1g n GLU 82 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2p1g n GLY 83 N 4.16 0.52 0.16 8.31 0.00 -1.26 -4.95 105.19 112.12 2p1g n GLY 83 Ca 0.19 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 2p1g n GLY 83 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2p1g h ASP 84 N 0.00 -0.34 -0.10 1.61 3.32 -1.85 0.90 116.42 119.96 2p1g h ASP 84 Ca -0.03 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2p1g h ASP 84 Cb 0.15 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2p1g h ASP 84 CO 0.04 -0.12 0.05 0.15 -1.72 0.00 0.00 179.24 177.64 2p1g h PHE 85 N -0.01 0.14 -0.45 4.55 3.57 -1.86 -0.32 116.94 122.57 2p1g h PHE 85 Ca 0.17 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2p1g h PHE 85 Cb 0.27 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2p1g h PHE 85 CO -0.33 0.18 -0.00 0.00 -2.23 0.00 0.00 178.31 175.92 2p1g h ALA 86 N 0.95 1.14 -0.21 2.41 0.00 -1.87 -0.65 119.26 121.03 2p1g h ALA 86 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2p1g h ALA 86 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2p1g h ALA 86 CO -0.01 0.55 0.02 0.00 0.00 0.00 0.00 179.25 179.81 2p1g h ARG 87 N 0.70 0.35 -0.31 0.00 3.08 -0.57 -0.65 114.38 116.99 2p1g h ARG 87 Ca 0.14 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.11 2p1g h ARG 87 Cb 0.44 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2p1g h ARG 87 CO 0.02 0.53 0.13 -0.91 -1.07 0.00 0.00 179.97 178.67 2p1g h ASN 88 N 0.13 0.17 -0.67 7.04 2.35 -0.79 -1.84 115.58 121.96 2p1g h ASN 88 Ca 0.06 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2p1g h ASN 88 Cb 0.36 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 2p1g h ASN 88 CO 0.01 0.13 0.41 0.25 -1.65 0.00 0.00 177.43 176.58 2p1g h LEU 89 N 0.28 0.67 -1.05 1.61 5.85 -0.98 -1.48 115.31 120.20 2p1g h LEU 89 Ca 0.13 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2p1g h LEU 89 Cb 0.08 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2p1g h LEU 89 CO -0.12 0.46 0.45 -0.61 -0.34 0.00 0.00 178.44 178.28 2p1g h GLN 90 N 0.80 1.11 -0.03 1.25 4.15 -0.79 -0.51 115.11 121.07 2p1g h GLN 90 Ca 0.28 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.50 2p1g h GLN 90 Cb 0.05 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2p1g h GLN 90 CO -0.12 0.80 -0.36 0.00 -1.93 0.00 0.00 178.83 177.23 2p1g h ARG 91 N 1.12 0.07 0.12 1.69 3.08 -0.53 -2.56 114.38 117.37 2p1g h ARG 91 Ca 0.28 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 60.11 2p1g h ARG 91 Cb 0.01 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.08 2p1g h ARG 91 CO -0.05 0.42 -0.87 0.82 -1.07 0.00 0.00 179.97 179.22 2p1g h ILE 92 N 0.06 1.46 0.00 2.04 2.04 -0.66 -3.38 117.51 119.07 2p1g h ILE 92 Ca 0.01 -2.46 -0.18 0.00 1.00 0.00 0.00 64.86 63.22 2p1g h ILE 92 Cb 0.66 3.03 -0.03 0.00 -0.74 0.00 0.00 36.82 39.75 2p1g h ILE 92 CO 0.05 0.71 -1.20 -0.09 0.00 0.00 0.00 178.15 177.61 2p1g h ARG 93 N -0.22 0.00 -6.44 2.37 2.43 -1.08 -3.46 114.38 107.98 2p1g h ARG 93 Ca -0.14 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.34 2p1g h ARG 93 Cb 1.65 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 31.00 2p1g h ARG 93 CO 0.16 0.48 -0.76 0.71 -1.51 0.00 0.00 179.97 179.05 2p1g s TYR 94 N -2.84 2.70 -0.01 2.20 2.02 -0.97 -0.83 117.35 119.62 2p1g s TYR 94 Ca -0.01 -0.17 -0.31 0.00 -0.37 0.00 0.00 57.07 56.21 2p1g s TYR 94 Cb 0.08 -1.54 -0.10 0.00 -0.40 0.00 0.00 41.96 40.01 2p1g s TYR 94 CO 0.80 0.29 1.96 -2.13 -1.57 0.00 0.00 175.55 174.90 2p1g n ARG 95 N 1.64 2.63 -1.62 -0.62 0.63 -0.32 -0.62 116.66 118.37 2p1g n ARG 95 Ca -0.16 0.96 -0.18 0.00 -0.92 0.00 0.00 57.85 57.55 2p1g n ARG 95 Cb 0.52 -2.90 -0.07 0.00 0.45 0.00 0.00 32.46 30.46 2p1g n ARG 95 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2p1g n ASP 96 N 7.40 -4.74 -1.05 6.15 8.00 -1.26 -1.62 116.55 129.43 2p1g n ASP 96 Ca 0.21 0.40 -0.12 0.00 0.71 0.00 0.00 54.79 55.99 2p1g n ASP 96 Cb 0.37 -4.23 -0.04 0.00 -0.02 0.00 0.00 41.12 37.20 2p1g n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2p1g n GLY 97 N -0.40 1.00 3.25 0.44 0.00 0.21 -4.99 105.19 104.70 2p1g n GLY 97 Ca -0.18 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 2p1g n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p1g s LYS 98 N -3.40 3.22 -0.32 1.61 1.02 -0.64 -4.71 119.74 116.53 2p1g s LYS 98 Ca 0.00 -0.71 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 2p1g s LYS 98 Cb 0.00 -2.89 -0.00 0.00 -0.52 0.00 0.00 37.83 34.42 2p1g s LYS 98 CO 0.00 -0.22 0.75 0.42 -0.92 0.00 0.00 175.35 175.38 2p1g s ILE 99 N 1.41 4.82 -0.48 2.17 1.01 -1.26 -4.38 121.20 124.49 2p1g s ILE 99 Ca 0.05 1.06 0.06 0.00 0.00 0.00 0.00 60.65 61.82 2p1g s ILE 99 Cb -0.14 -4.12 0.21 0.00 0.01 0.00 0.00 42.46 38.41 2p1g s ILE 99 CO -0.06 -0.26 0.68 -0.67 0.00 0.00 0.00 174.94 174.63 2p1g n ASP 100 N 6.16 -2.40 0.00 3.58 2.03 -1.26 -5.10 116.55 119.56 2p1g n ASP 100 Ca 0.02 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.44 2p1g n ASP 100 Cb 0.48 1.11 0.00 0.00 -0.72 0.00 0.00 41.12 41.99 2p1g n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2p1g n GLY 101 N 2.43 -1.54 0.37 0.27 0.00 -1.26 -3.91 105.19 101.55 2p1g n GLY 101 Ca 0.18 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.71 2p1g n GLY 101 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2p1g h TYR 102 N 0.00 1.00 -0.00 1.61 3.20 -1.96 -1.57 116.97 119.25 2p1g h TYR 102 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2p1g h TYR 102 Cb 0.00 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2p1g h TYR 102 CO 0.00 0.47 -0.00 0.25 -1.64 0.00 0.00 178.16 177.23 2p1g n THR 103 N -4.53 0.00 0.38 1.81 -2.24 -1.26 -2.69 114.28 105.75 2p1g n THR 103 Ca 0.15 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 2p1g n THR 103 Cb 0.28 -0.47 0.24 0.00 -2.10 0.00 0.00 70.33 68.28 2p1g n THR 103 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2p1g h SER 104 N 0.05 0.00 -3.83 3.42 4.64 -1.40 -3.45 113.55 112.99 2p1g h SER 104 Ca 0.00 -0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 2p1g h SER 104 Cb 0.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2p1g h SER 104 CO 0.00 0.01 0.51 -0.60 -0.87 0.00 0.00 176.83 175.88 2p1g s ARG 105 N -3.18 4.55 -1.30 4.77 3.52 -1.10 -1.18 118.95 125.05 2p1g s ARG 105 Ca 0.08 1.90 -0.16 0.00 -0.13 0.00 0.00 55.73 57.42 2p1g s ARG 105 Cb 0.09 -3.14 0.09 0.00 -1.56 0.00 0.00 34.95 30.43 2p1g s ARG 105 CO 0.66 0.10 1.73 1.28 -0.81 0.00 0.00 175.30 178.26 2p1g n LEU 106 N 1.06 5.28 -0.18 -0.88 4.77 -0.01 -4.82 117.00 122.22 2p1g n LEU 106 Ca -0.01 -4.09 -0.11 0.00 -0.03 0.00 0.00 56.01 51.78 2p1g n LEU 106 Cb 0.44 -1.70 0.01 0.00 -2.33 0.00 0.00 43.42 39.84 2p1g n LEU 106 CO 0.55 0.43 0.72 0.45 -1.33 0.00 0.00 177.39 178.22 2p1g h HIS 107 N 7.23 1.16 -3.36 -1.77 3.86 -1.91 -3.41 115.15 116.95 2p1g h HIS 107 Ca 0.43 -0.25 -0.56 0.00 -1.16 0.00 0.00 60.37 58.83 2p1g h HIS 107 Cb 0.83 -0.28 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 2p1g h HIS 107 CO 1.35 1.08 0.05 0.71 0.86 0.00 0.00 177.93 181.99 2p1g s TYR 108 N -4.79 3.59 0.44 2.45 2.02 -1.26 -4.95 117.35 114.85 2p1g s TYR 108 Ca -0.11 1.22 0.10 0.00 -0.37 0.00 0.00 57.07 57.90 2p1g s TYR 108 Cb 0.13 -2.75 0.98 0.00 -0.40 0.00 0.00 41.96 39.91 2p1g s TYR 108 CO 0.87 0.14 2.08 0.82 -1.57 0.00 0.00 175.55 177.89 2p1g h ILE 109 N 4.63 1.08 -0.87 2.71 1.08 -1.92 -0.79 117.51 123.43 2p1g h ILE 109 Ca -0.42 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 2p1g h ILE 109 Cb 1.20 0.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.60 2p1g h ILE 109 CO 0.74 0.08 0.57 0.28 -0.69 0.00 0.00 178.15 179.14 2p1g h SER 110 N 0.37 1.01 -0.23 1.72 0.02 -1.95 0.80 113.55 115.30 2p1g h SER 110 Ca 0.10 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 2p1g h SER 110 Cb -0.01 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 2p1g h SER 110 CO -0.02 0.74 -0.25 -0.78 -1.14 0.00 0.00 176.83 175.37 2p1g h ASP 111 N 1.19 0.62 -0.39 3.07 1.82 -1.60 -2.47 116.42 118.66 2p1g h ASP 111 Ca 0.32 -0.49 0.03 0.00 -0.39 0.00 0.00 57.03 56.50 2p1g h ASP 111 Cb -0.13 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.68 2p1g h ASP 111 CO -0.07 0.98 0.19 -0.25 -1.61 0.00 0.00 179.24 178.48 2p1g h TRP 112 N 0.27 0.35 -0.08 0.28 7.01 -0.78 -0.36 115.95 122.63 2p1g h TRP 112 Ca 0.03 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.06 2p1g h TRP 112 Cb 0.82 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 2p1g h TRP 112 CO 0.08 0.18 0.01 0.82 -2.79 0.00 0.00 178.44 176.74 2p1g h ILE 113 N 0.38 0.96 -0.69 2.65 2.04 -0.84 -1.59 117.51 120.42 2p1g h ILE 113 Ca 0.17 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2p1g h ILE 113 Cb 0.08 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2p1g h ILE 113 CO -0.12 0.01 0.41 0.78 0.00 0.00 0.00 178.15 179.23 2p1g h ASN 114 N 0.05 0.83 -0.19 1.72 2.35 -1.08 -0.66 115.58 118.60 2p1g h ASN 114 Ca 0.04 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2p1g h ASN 114 Cb 0.03 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2p1g h ASN 114 CO -0.05 0.64 0.08 -1.13 -1.65 0.00 0.00 177.43 175.32 2p1g h ASN 115 N 0.95 0.25 -0.73 5.81 -1.24 -0.86 -1.02 115.58 118.75 2p1g h ASN 115 Ca 0.25 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 2p1g h ASN 115 Cb -0.03 -0.07 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 2p1g h ASN 115 CO -0.05 0.33 0.37 0.00 -1.29 0.00 0.00 177.43 176.80 2p1g h ALA 116 N 0.93 1.25 -0.32 1.57 0.00 -0.72 0.17 119.26 122.14 2p1g h ALA 116 Ca 0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2p1g h ALA 116 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2p1g h ALA 116 CO -0.01 0.59 -0.08 0.28 0.00 0.00 0.00 179.25 180.03 2p1g h VAL 117 N 1.06 1.28 -0.57 0.00 2.07 -1.03 -0.58 116.25 118.48 2p1g h VAL 117 Ca 0.26 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 2p1g h VAL 117 Cb 0.08 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2p1g h VAL 117 CO -0.04 0.37 0.15 -0.09 0.02 0.00 0.00 177.57 177.98 2p1g h ARG 118 N 0.39 0.88 0.00 1.57 9.65 -0.77 -1.80 114.38 124.30 2p1g h ARG 118 Ca 0.08 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2p1g h ARG 118 Cb 0.58 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 2p1g h ARG 118 CO 0.03 0.78 0.00 1.04 2.80 0.00 0.00 179.97 184.62 2p1g n GLN 119 N -4.27 0.29 -1.39 0.20 1.13 0.01 -4.91 117.38 108.45 2p1g n GLN 119 Ca 0.04 0.07 -0.05 0.00 -1.94 0.00 0.00 57.00 55.12 2p1g n GLN 119 Cb 0.22 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 2p1g n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2p1g n GLY 120 N 0.73 0.62 0.10 1.08 0.00 -0.68 -4.94 105.19 102.10 2p1g n GLY 120 Ca 0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 2p1g n GLY 120 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2p1g n LEU 121 N -0.62 0.47 -4.16 0.99 4.77 -0.25 -4.97 117.00 113.23 2p1g n LEU 121 Ca -0.05 0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 2p1g n LEU 121 Cb 0.26 0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 2p1g n LEU 121 CO 0.08 0.51 -0.43 -0.76 -1.33 0.00 0.00 177.39 175.46 2p1g s LEU 122 N -5.74 2.34 0.03 2.23 1.43 -1.12 -4.41 118.68 113.44 2p1g s LEU 122 Ca -0.11 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2p1g s LEU 122 Cb 0.07 -0.37 -0.03 0.00 0.03 0.00 0.00 46.19 45.89 2p1g s LEU 122 CO 0.81 -0.18 -0.11 -1.83 0.23 0.00 0.00 176.35 175.27 2p1g s GLU 123 N -2.23 2.32 -0.66 1.70 -1.05 -0.05 -4.06 118.70 114.67 2p1g s GLU 123 Ca 0.01 -0.86 -0.23 0.00 -0.15 0.00 0.00 54.97 53.74 2p1g s GLU 123 Cb -0.07 -2.36 0.07 0.00 -0.44 0.00 0.00 34.13 31.33 2p1g s GLU 123 CO 0.01 0.56 0.96 0.34 0.95 0.00 0.00 175.26 178.09 2p1g s ASP 124 N -1.57 6.18 0.04 0.83 -1.08 -1.26 -1.39 116.67 118.42 2p1g s ASP 124 Ca 0.17 -0.97 -0.18 0.00 -0.52 0.00 0.00 52.55 51.05 2p1g s ASP 124 Cb -0.11 -2.42 -0.17 0.00 -1.46 0.00 0.00 42.92 38.76 2p1g s ASP 124 CO 0.08 -1.44 1.24 0.58 0.52 0.00 0.00 175.17 176.16 2p1g h VAL 125 N 5.97 1.37 -0.00 1.11 2.07 -1.02 -3.08 116.25 122.66 2p1g h VAL 125 Ca -0.29 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 2p1g h VAL 125 Cb 1.07 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2p1g h VAL 125 CO 1.18 0.52 -0.03 0.71 0.02 0.00 0.00 177.57 179.98 2p1g h THR 126 N 0.09 1.02 -0.15 2.57 1.35 -1.83 0.20 112.91 116.16 2p1g h THR 126 Ca -0.02 -0.09 -0.04 0.00 -0.55 0.00 0.00 66.41 65.71 2p1g h THR 126 Cb 1.06 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2p1g h THR 126 CO 0.09 0.03 -0.07 0.00 -0.25 0.00 0.00 175.52 175.32 2p1g h ALA 127 N 1.97 1.61 0.03 6.62 0.00 -1.81 -1.00 119.26 126.69 2p1g h ALA 127 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 2p1g h ALA 127 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2p1g h ALA 127 CO 0.00 0.29 -1.24 0.00 0.00 0.00 0.00 179.25 178.30 2p1g h ALA 128 N 1.72 0.38 0.00 0.00 0.00 -1.01 -3.41 119.26 116.94 2p1g h ALA 128 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.92 2p1g h ALA 128 Cb 0.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2p1g h ALA 128 CO 0.01 1.26 -0.96 0.66 0.00 0.00 0.00 179.25 180.22 2p1g n TYR 129 N -3.33 0.00 -4.63 0.00 4.01 -0.80 -4.99 117.16 107.42 2p1g n TYR 129 Ca -0.07 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.34 2p1g n TYR 129 Cb 0.99 -0.08 -0.13 0.00 -0.31 0.00 0.00 39.34 39.81 2p1g n TYR 129 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2p1g s SER 130 N -2.24 4.35 0.21 7.72 0.15 -0.39 -4.99 113.70 118.51 2p1g s SER 130 Ca -0.01 -0.23 0.26 0.00 0.70 0.00 0.00 55.95 56.67 2p1g s SER 130 Cb 0.03 -1.63 0.86 0.00 -1.71 0.00 0.00 66.02 63.57 2p1g s SER 130 CO 0.18 0.18 1.77 -0.81 1.20 0.00 0.00 173.24 175.76 2p1g n PRO 131 N 3.42 0.24 -2.80 5.44 -0.04 -1.26 -4.74 135.00 135.25 2p1g n PRO 131 Ca -0.18 0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 2p1g n PRO 131 Cb 0.53 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 2p1g n PRO 131 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2p1g s PHE 132 N -3.14 3.93 0.13 0.54 0.08 -1.26 -5.00 117.98 113.26 2p1g s PHE 132 Ca 0.10 1.83 0.07 0.00 0.12 0.00 0.00 56.93 59.04 2p1g s PHE 132 Cb 0.12 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 2p1g s PHE 132 CO 0.55 0.41 -0.16 0.15 -0.10 0.00 0.00 175.22 176.08 2p1g s LYS 133 N -0.91 1.09 0.02 0.44 1.02 -1.26 -1.52 119.74 118.62 2p1g s LYS 133 Ca 0.41 -1.24 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2p1g s LYS 133 Cb -0.25 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 35.95 2p1g s LYS 133 CO 0.30 0.23 -0.06 1.14 -0.92 0.00 0.00 175.35 176.03 2p1g s GLN 134 N -2.48 0.46 -0.06 1.68 -2.07 -0.28 -4.92 119.66 111.99 2p1g s GLN 134 Ca 0.09 -0.53 -0.21 0.00 -1.82 0.00 0.00 55.36 52.89 2p1g s GLN 134 Cb -0.06 -0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 31.51 2p1g s GLN 134 CO 0.04 0.06 0.59 0.15 -1.32 0.00 0.00 175.29 174.81 2p1g s LYS 135 N -1.04 4.36 0.33 9.60 1.02 -1.26 -0.81 119.74 131.94 2p1g s LYS 135 Ca -0.06 0.68 -0.26 0.00 0.02 0.00 0.00 55.97 56.35 2p1g s LYS 135 Cb -0.07 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.74 2p1g s LYS 135 CO 0.00 0.20 0.99 -0.51 -0.92 0.00 0.00 175.35 175.12 2p1g s LEU 136 N 0.39 4.33 -0.25 3.17 1.43 0.31 -4.89 118.68 123.18 2p1g s LEU 136 Ca 0.31 1.95 -0.03 0.00 -1.03 0.00 0.00 54.13 55.33 2p1g s LEU 136 Cb -0.17 -3.99 0.10 0.00 0.03 0.00 0.00 46.19 42.16 2p1g s LEU 136 CO 0.15 -0.18 0.20 -0.55 0.23 0.00 0.00 176.35 176.20 2p1g s SER 137 N -1.49 2.20 -0.09 2.29 0.15 -1.26 -0.44 113.70 115.06 2p1g s SER 137 Ca 0.51 -0.72 0.04 0.00 0.70 0.00 0.00 55.95 56.48 2p1g s SER 137 Cb -0.22 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.21 2p1g s SER 137 CO 0.27 -0.38 -0.22 -0.76 1.20 0.00 0.00 173.24 173.36 2p1g s LEU 138 N 2.25 2.23 0.00 3.45 1.43 -1.26 -3.65 118.68 123.13 2p1g s LEU 138 Ca 0.07 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2p1g s LEU 138 Cb -0.15 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2p1g s LEU 138 CO -0.24 0.19 0.00 -1.54 0.23 0.00 0.00 176.35 174.99 2p1g n SER 139 N 3.33 0.00 0.08 2.29 3.41 -0.42 -4.60 113.62 117.71 2p1g n SER 139 Ca -0.18 -0.65 -0.12 0.00 -0.26 0.00 0.00 58.87 57.66 2p1g n SER 139 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 2p1g n SER 139 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2p1g h TYR 140 N 0.00 -0.30 -0.31 7.33 3.20 -1.63 -2.02 116.97 123.24 2p1g h TYR 140 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2p1g h TYR 140 Cb 0.36 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2p1g h TYR 140 CO 0.00 -0.18 0.10 0.52 -1.64 0.00 0.00 178.16 176.96 2p1g h MET 141 N -0.23 0.47 0.00 1.82 2.86 -1.91 -1.01 114.93 116.94 2p1g h MET 141 Ca 0.02 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2p1g h MET 141 Cb 0.25 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2p1g h MET 141 CO -0.07 0.52 -0.05 0.66 1.06 0.00 0.00 176.91 179.02 2p1g h SER 142 N 0.34 0.00 0.27 1.22 4.64 -1.87 -2.84 113.55 115.30 2p1g h SER 142 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2p1g h SER 142 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2p1g h SER 142 CO -0.00 0.05 -0.59 0.35 -0.87 0.00 0.00 176.83 175.77 2p1g n THR 143 N -3.13 0.00 -2.66 2.95 -2.24 -0.77 -4.31 114.28 104.12 2p1g n THR 143 Ca 0.02 -0.05 -0.24 0.00 -2.27 0.00 0.00 64.05 61.51 2p1g n THR 143 Cb 0.44 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 2p1g n THR 143 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2p1g n HIS 144 N -1.19 3.08 0.27 4.78 -0.00 -0.40 -4.92 115.22 116.85 2p1g n HIS 144 Ca 0.07 -3.33 0.15 0.00 -0.00 0.00 0.00 57.72 54.60 2p1g n HIS 144 Cb 0.35 -0.24 0.78 0.00 -0.00 0.00 0.00 29.99 30.88 2p1g n HIS 144 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2p1g h PRO 145 N 2.76 0.00 0.00 -0.41 0.13 -1.73 -2.10 132.00 130.65 2p1g h PRO 145 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2p1g h PRO 145 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2p1g h PRO 145 CO 0.77 0.09 -0.00 1.05 -0.23 0.00 0.00 178.00 179.68 2p1g h GLU 146 N 0.00 0.00 -0.00 0.86 9.09 -1.90 -2.28 114.58 120.35 2p1g h GLU 146 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2p1g h GLU 146 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 2p1g h GLU 146 CO 0.01 0.00 -0.33 1.28 0.05 0.00 0.00 179.01 180.03 2p1g n LEU 147 N -3.18 0.57 -4.06 3.06 4.77 -0.79 -4.83 117.00 112.55 2p1g n LEU 147 Ca -0.03 -0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 2p1g n LEU 147 Cb 0.08 -0.24 -0.16 0.00 -2.33 0.00 0.00 43.42 40.77 2p1g n LEU 147 CO 0.21 0.12 -0.50 -0.31 -1.33 0.00 0.00 177.39 175.58 2p1g s TYR 148 N -2.80 2.40 0.29 -1.77 2.02 -0.91 -5.02 117.35 111.55 2p1g s TYR 148 Ca 0.17 -1.38 0.01 0.00 -0.37 0.00 0.00 57.07 55.50 2p1g s TYR 148 Cb 0.18 -1.72 0.70 0.00 -0.40 0.00 0.00 41.96 40.73 2p1g s TYR 148 CO 0.60 -0.72 1.63 -0.22 -1.57 0.00 0.00 175.55 175.27 2p1g h LYS 149 N 8.01 0.14 -0.17 -0.62 3.64 -1.88 -0.28 116.57 125.40 2p1g h LYS 149 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2p1g h LYS 149 Cb 1.14 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2p1g h LYS 149 CO 0.57 0.09 0.00 0.43 -2.27 0.00 0.00 179.45 178.27 2p1g n SER 150 N -5.30 2.27 -0.06 4.20 7.64 -1.26 -4.06 113.62 117.04 2p1g n SER 150 Ca 0.21 -1.78 -0.08 0.00 1.01 0.00 0.00 58.87 58.23 2p1g n SER 150 Cb 0.69 -0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 2p1g n SER 150 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2p1g n LEU 151 N 0.73 1.86 -0.31 -3.43 4.77 -0.41 -4.60 117.00 115.61 2p1g n LEU 151 Ca 0.17 -0.05 0.17 0.00 -0.03 0.00 0.00 56.01 56.28 2p1g n LEU 151 Cb 0.44 -0.20 0.43 0.00 -2.33 0.00 0.00 43.42 41.76 2p1g n LEU 151 CO 0.15 0.56 1.21 0.07 -1.33 0.00 0.00 177.39 178.04 2p1g h LYS 152 N 0.00 0.55 -0.23 3.23 2.10 -0.57 -0.27 116.57 121.37 2p1g h LYS 152 Ca -0.30 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 2p1g h LYS 152 Cb 1.55 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 2p1g h LYS 152 CO -0.02 0.36 0.00 0.09 -2.00 0.00 0.00 179.45 177.88 2p1g n ASN 153 N -4.64 3.53 -3.58 7.07 4.13 -1.26 -4.86 115.26 115.64 2p1g n ASN 153 Ca 0.22 -2.90 -0.28 0.00 1.68 0.00 0.00 54.58 53.30 2p1g n ASN 153 Cb 0.68 -0.48 -0.12 0.00 -1.54 0.00 0.00 39.78 38.32 2p1g n ASN 153 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2p1g s SER 154 N -1.95 2.96 0.59 6.41 0.15 -0.11 -4.95 113.70 116.80 2p1g s SER 154 Ca 0.38 -2.80 0.31 0.00 0.70 0.00 0.00 55.95 54.53 2p1g s SER 154 Cb 0.30 -0.77 1.83 0.00 -1.71 0.00 0.00 66.02 65.67 2p1g s SER 154 CO 0.09 -0.23 2.25 -0.65 1.20 0.00 0.00 173.24 175.90 2p1g h PRO 155 N 6.31 0.00 -0.45 5.44 0.11 -1.90 -1.32 132.00 140.19 2p1g h PRO 155 Ca 0.11 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 2p1g h PRO 155 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 2p1g h PRO 155 CO 0.42 0.01 -0.01 1.05 -0.21 0.00 0.00 178.00 179.27 2p1g h GLU 156 N 0.00 0.79 -0.29 1.05 9.09 -1.93 0.42 114.58 123.71 2p1g h GLU 156 Ca -0.00 -0.26 -0.13 0.00 0.05 0.00 0.00 59.36 59.02 2p1g h GLU 156 Cb 0.03 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.06 2p1g h GLU 156 CO 0.00 0.86 -0.36 -0.91 0.05 0.00 0.00 179.01 178.65 2p1g h ASN 157 N 0.64 0.70 -0.23 3.06 2.35 -1.62 -1.33 115.58 119.14 2p1g h ASN 157 Ca 0.12 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2p1g h ASN 157 Cb 0.51 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2p1g h ASN 157 CO 0.02 0.99 0.13 0.58 -1.65 0.00 0.00 177.43 177.51 2p1g h VAL 158 N 0.55 1.02 -0.90 2.81 2.07 -1.12 -0.75 116.25 119.94 2p1g h VAL 158 Ca 0.05 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2p1g h VAL 158 Cb 0.88 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2p1g h VAL 158 CO 0.08 0.05 0.53 0.00 0.02 0.00 0.00 177.57 178.25 2p1g h ALA 159 N 1.10 1.15 -0.59 1.67 0.00 -0.66 0.48 119.26 122.42 2p1g h ALA 159 Ca 0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2p1g h ALA 159 Cb -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2p1g h ALA 159 CO -0.04 0.62 -0.00 0.37 0.00 0.00 0.00 179.25 180.19 2p1g h GLN 160 N 1.25 1.05 -0.43 0.00 5.75 -0.99 -1.36 115.11 120.37 2p1g h GLN 160 Ca 0.32 -0.34 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 2p1g h GLN 160 Cb -0.04 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 2p1g h GLN 160 CO -0.06 1.03 -0.09 0.52 -2.65 0.00 0.00 178.83 177.58 2p1g h MET 161 N 0.95 0.75 -0.43 1.69 2.86 -0.64 -2.13 114.93 117.98 2p1g h MET 161 Ca 0.17 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2p1g h MET 161 Cb 0.56 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2p1g h MET 161 CO 0.03 0.82 0.02 0.00 1.06 0.00 0.00 176.91 178.84 2p1g h ALA 162 N 1.21 1.23 -0.57 6.32 0.00 -0.58 -0.06 119.26 126.81 2p1g h ALA 162 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2p1g h ALA 162 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2p1g h ALA 162 CO 0.03 0.51 0.08 0.87 0.00 0.00 0.00 179.25 180.74 2p1g h LYS 163 N 0.65 0.95 -0.33 0.00 1.57 -0.80 0.34 116.57 118.94 2p1g h LYS 163 Ca 0.13 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 2p1g h LYS 163 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2p1g h LYS 163 CO 0.01 0.92 -0.27 1.88 -0.57 0.00 0.00 179.45 181.42 2p1g h TYR 164 N 0.85 0.77 -0.40 -1.35 0.05 -0.96 -1.26 116.97 114.66 2p1g h TYR 164 Ca 0.17 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2p1g h TYR 164 Cb 0.44 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 2p1g h TYR 164 CO 0.03 0.88 0.18 0.93 -1.05 0.00 0.00 178.16 179.13 2p1g h GLU 165 N 0.58 0.59 -0.69 4.88 5.08 -0.83 -2.85 114.58 121.34 2p1g h GLU 165 Ca 0.07 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2p1g h GLU 165 Cb 0.77 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2p1g h GLU 165 CO 0.06 0.54 0.19 -0.22 -1.00 0.00 0.00 179.01 178.58 2p1g h LYS 166 N 0.51 1.07 -0.29 2.33 1.63 -0.80 -1.33 116.57 119.69 2p1g h LYS 166 Ca 0.14 -0.23 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 2p1g h LYS 166 Cb 0.15 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2p1g h LYS 166 CO -0.01 0.92 0.05 0.00 -3.45 0.00 0.00 179.45 176.96 2p1g h ALA 167 N 1.18 1.54 0.00 5.00 0.00 -1.09 -2.78 119.26 123.12 2p1g h ALA 167 Ca 0.22 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 2p1g h ALA 167 Cb 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2p1g h ALA 167 CO -0.00 0.34 -1.50 1.28 0.00 0.00 0.00 179.25 179.36 2p1g n LEU 168 N -4.35 0.78 -4.74 0.00 4.77 -1.09 -4.88 117.00 107.50 2p1g n LEU 168 Ca 0.01 0.35 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 2p1g n LEU 168 Cb 0.19 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2p1g n LEU 168 CO 0.37 0.17 1.03 -0.44 -1.33 0.00 0.00 177.39 177.19 2p1g s SER 169 N -5.73 6.83 0.00 -1.43 0.01 -0.52 -2.22 113.70 110.64 2p1g s SER 169 Ca -0.04 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2p1g s SER 169 Cb 0.09 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2p1g s SER 169 CO 0.82 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2p1g n GLY 170 N 2.49 2.71 3.80 3.44 0.00 0.42 -4.97 105.19 113.08 2p1g n GLY 170 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2p1g n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p1g s LYS 171 N -0.99 4.40 0.03 1.61 1.02 -0.94 -4.72 119.74 120.15 2p1g s LYS 171 Ca 0.00 1.26 -0.06 0.00 0.02 0.00 0.00 55.97 57.19 2p1g s LYS 171 Cb 0.00 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 2p1g s LYS 171 CO 0.00 0.11 0.28 -1.21 -0.92 0.00 0.00 175.35 173.61 2p1g s GLU 172 N -2.55 3.58 0.10 1.68 2.02 -1.26 -0.53 118.70 121.73 2p1g s GLU 172 Ca 0.56 -0.09 0.05 0.00 0.02 0.00 0.00 54.97 55.51 2p1g s GLU 172 Cb -0.15 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 2p1g s GLU 172 CO 0.20 0.62 -0.13 0.14 0.02 0.00 0.00 175.26 176.11 2p1g s VAL 173 N -1.36 1.17 0.35 2.63 -7.23 0.01 -4.95 120.40 111.02 2p1g s VAL 173 Ca 0.30 -1.52 -0.23 0.00 -1.81 0.00 0.00 61.98 58.72 2p1g s VAL 173 Cb -0.13 -1.30 -0.10 0.00 0.56 0.00 0.00 36.38 35.41 2p1g s VAL 173 CO 0.18 -0.36 0.91 -1.00 -0.31 0.00 0.00 175.10 174.52 2p1g s HIS 174 N -1.81 3.54 0.26 2.82 3.76 -1.26 -1.12 115.29 121.48 2p1g s HIS 174 Ca 0.03 1.65 -0.14 0.00 -0.15 0.00 0.00 55.06 56.45 2p1g s HIS 174 Cb -0.07 -2.84 0.00 0.00 1.11 0.00 0.00 32.58 30.78 2p1g s HIS 174 CO 0.02 0.11 0.54 1.52 -0.85 0.00 0.00 174.74 176.08 2p1g s TYR 175 N -1.82 0.27 -0.31 1.40 -0.00 -0.58 -4.69 117.35 111.62 2p1g s TYR 175 Ca 0.54 -0.66 -0.05 0.00 -0.00 0.00 0.00 57.07 56.90 2p1g s TYR 175 Cb -0.15 0.31 0.03 0.00 -0.00 0.00 0.00 41.96 42.15 2p1g s TYR 175 CO 0.19 -1.07 0.06 -1.17 -0.00 0.00 0.00 175.55 173.57 2p1g s LEU 176 N -3.01 3.98 0.48 -3.49 2.96 -0.01 -4.17 118.68 115.42 2p1g s LEU 176 Ca 0.20 -0.98 -0.24 0.00 -0.22 0.00 0.00 54.13 52.90 2p1g s LEU 176 Cb -0.02 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.77 2p1g s LEU 176 CO 0.09 -0.25 1.36 -2.84 -1.32 0.00 0.00 176.35 173.39 2p1g s PRO 177 N 1.41 3.52 0.55 0.98 0.02 -1.26 -1.23 135.00 138.99 2p1g s PRO 177 Ca -0.00 2.26 0.23 0.00 0.02 0.00 0.00 61.00 63.50 2p1g s PRO 177 Cb -0.18 -2.49 1.49 0.00 0.02 0.00 0.00 34.50 33.33 2p1g s PRO 177 CO 0.01 -0.89 2.15 1.57 -0.33 0.00 0.00 177.00 179.51 2p1g h LYS 178 N 2.02 0.00 0.00 5.54 2.10 -1.52 -0.27 116.57 124.43 2p1g h LYS 178 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2p1g h LYS 178 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2p1g h LYS 178 CO 0.60 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.65 2p1g n ASP 179 N -4.23 0.00 -0.91 7.07 5.68 -1.26 -1.99 116.55 120.91 2p1g n ASP 179 Ca -0.01 0.17 0.09 0.00 -0.50 0.00 0.00 54.79 54.54 2p1g n ASP 179 Cb 0.19 -0.35 0.17 0.00 -1.14 0.00 0.00 41.12 39.99 2p1g n ASP 179 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2p1g n LYS 180 N -1.35 2.18 -3.97 0.11 4.76 -0.11 -4.92 118.16 114.86 2p1g n LYS 180 Ca 0.07 -2.01 -0.35 0.00 -2.87 0.00 0.00 58.31 53.15 2p1g n LYS 180 Cb 0.16 -1.40 -0.13 0.00 -1.84 0.00 0.00 35.03 31.81 2p1g n LYS 180 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2p1g s LEU 181 N -1.29 3.07 0.35 -0.35 2.96 -0.84 -4.99 118.68 117.58 2p1g s LEU 181 Ca 0.30 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 2p1g s LEU 181 Cb 0.18 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2p1g s LEU 181 CO 0.25 0.01 0.52 -1.61 -1.32 0.00 0.00 176.35 174.20 2p1g s GLU 182 N 1.32 3.22 0.41 1.98 0.41 -1.26 -4.76 118.70 120.03 2p1g s GLU 182 Ca 0.04 -0.71 0.18 0.00 -0.41 0.00 0.00 54.97 54.06 2p1g s GLU 182 Cb -0.14 -2.74 1.08 0.00 -1.78 0.00 0.00 34.13 30.55 2p1g s GLU 182 CO -0.00 0.05 1.84 -1.35 -0.49 0.00 0.00 175.26 175.30 2p1g h PRO 183 N 0.78 0.40 -0.01 0.39 0.11 -1.95 -0.42 132.00 131.30 2p1g h PRO 183 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2p1g h PRO 183 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2p1g h PRO 183 CO 0.57 0.27 0.00 -0.25 -0.21 0.00 0.00 178.00 178.37 2p1g n ASP 184 N -4.53 0.17 0.00 -2.05 9.92 -1.26 -0.26 116.55 118.54 2p1g n ASP 184 Ca 0.21 -1.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.11 2p1g n ASP 184 Cb 0.74 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.21 2p1g n ASP 184 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2p1g n GLY 185 N 0.87 0.21 3.06 0.44 0.00 -0.17 -4.53 105.19 105.06 2p1g n GLY 185 Ca 0.16 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 2p1g n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p1g s LEU 186 N 0.00 2.00 0.57 0.99 1.43 -1.26 -4.53 118.68 117.88 2p1g s LEU 186 Ca 0.00 -0.50 0.38 0.00 -1.03 0.00 0.00 54.13 52.98 2p1g s LEU 186 Cb 0.00 0.37 1.87 0.00 0.03 0.00 0.00 46.19 48.46 2p1g s LEU 186 CO 0.00 -0.40 2.14 1.55 0.23 0.00 0.00 176.35 179.86 2p1g h PRO 187 N 4.14 0.00 -0.10 1.29 0.13 -2.05 -0.39 132.00 135.03 2p1g h PRO 187 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2p1g h PRO 187 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2p1g h PRO 187 CO 0.46 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.56 2p1g n TRP 188 N -2.96 0.11 -3.70 1.56 4.27 -1.26 -4.71 117.44 110.76 2p1g n TRP 188 Ca -0.01 -0.06 -0.37 0.00 -3.89 0.00 0.00 57.50 53.17 2p1g n TRP 188 Cb 0.16 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.99 2p1g n TRP 188 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 2p1g s ILE 189 N -1.89 4.56 0.23 -1.67 1.01 -0.16 -5.03 121.20 118.25 2p1g s ILE 189 Ca 0.35 -0.18 0.10 0.00 0.00 0.00 0.00 60.65 60.92 2p1g s ILE 189 Cb 0.20 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2p1g s ILE 189 CO 0.31 0.25 -0.12 -0.54 0.00 0.00 0.00 174.94 174.84 2p1g s LYS 190 N 1.64 1.94 0.18 2.79 1.02 -1.26 -4.64 119.74 121.41 2p1g s LYS 190 Ca 0.06 -1.46 -0.33 0.00 0.02 0.00 0.00 55.97 54.26 2p1g s LYS 190 Cb -0.16 -2.02 -0.15 0.00 -0.52 0.00 0.00 37.83 34.98 2p1g s LYS 190 CO 0.06 0.39 1.28 0.09 -0.92 0.00 0.00 175.35 176.25 2p1g n ASN 191 N -0.29 1.90 0.00 2.83 3.02 -1.26 -1.31 115.26 120.14 2p1g n ASN 191 Ca -0.09 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 2p1g n ASN 191 Cb 0.57 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2p1g n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p1g n GLY 192 N 2.22 1.66 3.76 7.41 0.00 -0.32 -4.80 105.19 115.11 2p1g n GLY 192 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2p1g n GLY 192 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p1g s ASP 193 N -3.06 5.70 -0.03 1.61 1.01 -0.43 -4.58 116.67 116.89 2p1g s ASP 193 Ca 0.00 2.73 -0.25 0.00 0.71 0.00 0.00 52.55 55.74 2p1g s ASP 193 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2p1g s ASP 193 CO 0.00 -1.28 0.76 -0.63 0.21 0.00 0.00 175.17 174.23 2p1g s ILE 194 N -1.30 4.95 -0.17 0.77 1.01 0.12 -0.58 121.20 125.99 2p1g s ILE 194 Ca 0.66 1.58 -0.01 0.00 0.00 0.00 0.00 60.65 62.87 2p1g s ILE 194 Cb -0.39 -4.10 -0.00 0.00 0.01 0.00 0.00 42.46 37.98 2p1g s ILE 194 CO 0.48 0.27 -0.12 -0.63 0.00 0.00 0.00 174.94 174.94 2p1g s ILE 195 N 0.62 2.86 -0.22 2.92 -1.09 0.36 -0.57 121.20 126.07 2p1g s ILE 195 Ca 0.40 -0.69 -0.07 0.00 -2.23 0.00 0.00 60.65 58.06 2p1g s ILE 195 Cb -0.19 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.43 2p1g s ILE 195 CO 0.21 0.49 0.05 0.00 -1.23 0.00 0.00 174.94 174.46 2p1g s ALA 196 N 0.97 3.17 -0.32 9.38 0.00 -0.16 -0.63 121.76 134.17 2p1g s ALA 196 Ca -0.02 -1.03 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 2p1g s ALA 196 Cb -0.15 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2p1g s ALA 196 CO -0.02 -0.28 0.80 -0.51 0.00 0.00 0.00 175.76 175.75 2p1g s LEU 197 N 1.24 4.09 0.50 0.00 1.43 0.26 -0.63 118.68 125.57 2p1g s LEU 197 Ca 0.04 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.60 2p1g s LEU 197 Cb -0.15 -3.08 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 2p1g s LEU 197 CO 0.03 -0.65 0.95 0.42 0.23 0.00 0.00 176.35 177.33 2p1g s THR 198 N 3.01 4.57 0.08 5.49 -4.23 0.06 -1.03 115.64 123.58 2p1g s THR 198 Ca 0.33 1.14 0.03 0.00 -1.18 0.00 0.00 61.69 62.01 2p1g s THR 198 Cb -0.14 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 2p1g s THR 198 CO 0.14 -0.66 -0.09 0.28 -0.54 0.00 0.00 174.62 173.75 2p1g s THR 199 N -2.58 0.80 -2.19 3.99 -1.32 -0.80 -1.11 115.64 112.44 2p1g s THR 199 Ca 0.58 -1.53 0.21 0.00 -1.21 0.00 0.00 61.69 59.74 2p1g s THR 199 Cb -0.10 -1.21 0.38 0.00 -1.51 0.00 0.00 72.50 70.06 2p1g s THR 199 CO 0.31 -0.55 1.33 -0.46 -2.21 0.00 0.00 174.62 173.04 2p1g n ASN 200 N 0.73 3.27 -4.68 8.08 0.23 -0.34 -4.67 115.26 117.89 2p1g n ASN 200 Ca -0.17 -1.94 -0.48 0.00 -0.53 0.00 0.00 54.58 51.46 2p1g n ASN 200 Cb 0.57 -0.23 -0.05 0.00 -2.08 0.00 0.00 39.78 38.00 2p1g n ASN 200 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2p1g n THR 201 N 1.31 0.36 -1.64 5.53 -1.04 -1.26 -4.85 114.28 112.69 2p1g n THR 201 Ca 0.17 -0.06 -0.50 0.00 -2.04 0.00 0.00 64.05 61.62 2p1g n THR 201 Cb 0.56 -1.74 -0.05 0.00 -1.82 0.00 0.00 70.33 67.28 2p1g n THR 201 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2p1g n PRO 202 N 5.41 1.62 -0.38 -2.82 -0.02 -1.26 -1.94 135.00 135.61 2p1g n PRO 202 Ca 0.20 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2p1g n PRO 202 Cb 0.29 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2p1g n PRO 202 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p1g n GLY 203 N 3.11 1.07 3.53 -1.23 0.00 -1.25 -4.71 105.19 105.71 2p1g n GLY 203 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2p1g n GLY 203 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p1g s LEU 204 N 0.00 2.81 -0.09 0.99 1.43 -0.82 -1.30 118.68 121.71 2p1g s LEU 204 Ca 0.00 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.22 2p1g s LEU 204 Cb 0.00 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 2p1g s LEU 204 CO 0.00 0.04 -0.11 -0.90 0.23 0.00 0.00 176.35 175.61 2p1g n ASP 205 N -0.61 1.81 -3.89 2.29 5.75 -1.26 -4.73 116.55 115.91 2p1g n ASP 205 Ca -0.06 0.05 -0.15 0.00 -0.01 0.00 0.00 54.79 54.61 2p1g n ASP 205 Cb 0.59 -0.22 -0.15 0.00 -1.03 0.00 0.00 41.12 40.31 2p1g n ASP 205 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2p1g s VAL 206 N -2.18 0.24 -0.16 2.12 1.01 -1.26 -1.90 120.40 118.28 2p1g s VAL 206 Ca -0.13 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2p1g s VAL 206 Cb 0.04 -0.25 -0.23 0.00 0.00 0.00 0.00 36.38 35.94 2p1g s VAL 206 CO 0.19 0.10 0.21 -1.54 0.00 0.00 0.00 175.10 174.06 2p1g n SER 207 N 3.40 1.43 -3.21 3.32 3.41 -0.20 -4.87 113.62 116.89 2p1g n SER 207 Ca -0.18 0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 2p1g n SER 207 Cb 0.56 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 2p1g n SER 207 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2p1g s HIS 208 N -2.54 0.08 0.25 7.33 -3.43 -1.25 -5.04 115.29 110.69 2p1g s HIS 208 Ca -0.20 -0.59 0.04 0.00 -0.80 0.00 0.00 55.06 53.51 2p1g s HIS 208 Cb 0.07 0.75 -0.05 0.00 -1.43 0.00 0.00 32.58 31.92 2p1g s HIS 208 CO 0.75 -1.17 -0.01 -1.64 -2.00 0.00 0.00 174.74 170.67 2p1g s MET 209 N -2.25 1.40 0.00 -0.38 -1.94 -1.26 -0.58 119.30 114.29 2p1g s MET 209 Ca 0.19 -1.71 0.00 0.00 -1.71 0.00 0.00 55.69 52.46 2p1g s MET 209 Cb -0.04 -0.73 0.00 0.00 2.01 0.00 0.00 34.83 36.07 2p1g s MET 209 CO 0.08 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.42 2p1g n GLY 210 N -0.47 1.87 3.10 -0.03 0.00 0.19 -4.66 105.19 105.19 2p1g n GLY 210 Ca -0.05 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 2p1g n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p1g s ILE 211 N -2.52 1.40 0.26 -0.61 1.01 0.87 -0.49 121.20 121.12 2p1g s ILE 211 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 2p1g s ILE 211 Cb 0.00 -1.23 -0.10 0.00 0.01 0.00 0.00 42.46 41.15 2p1g s ILE 211 CO 0.00 0.41 1.34 0.00 0.00 0.00 0.00 174.94 176.69 2p1g s ALA 212 N 0.33 3.54 -0.11 9.38 0.00 0.25 -0.17 121.76 134.98 2p1g s ALA 212 Ca -0.10 1.22 -0.07 0.00 0.00 0.00 0.00 51.96 53.01 2p1g s ALA 212 Cb -0.14 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.53 2p1g s ALA 212 CO 0.04 -0.62 0.28 -1.50 0.00 0.00 0.00 175.76 173.95 2p1g s ILE 213 N -0.42 -0.03 -0.25 0.00 2.07 -0.64 -1.18 121.20 120.75 2p1g s ILE 213 Ca 0.54 0.10 -0.17 0.00 -1.41 0.00 0.00 60.65 59.71 2p1g s ILE 213 Cb -0.39 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 2p1g s ILE 213 CO 0.45 0.04 0.48 -0.31 -1.91 0.00 0.00 174.94 173.69 2p1g s TYR 214 N 1.00 3.28 -0.20 3.50 2.02 -1.26 -0.51 117.35 125.18 2p1g s TYR 214 Ca -0.07 0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 57.22 2p1g s TYR 214 Cb -0.08 -2.67 0.01 0.00 -0.40 0.00 0.00 41.96 38.82 2p1g s TYR 214 CO -0.07 -0.23 -0.12 0.42 -1.57 0.00 0.00 175.55 173.98 2p1g s ILE 215 N 2.10 2.66 -1.60 2.71 -1.09 0.03 -4.62 121.20 121.39 2p1g s ILE 215 Ca 0.20 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.69 2p1g s ILE 215 Cb -0.16 -2.18 0.13 0.00 -1.58 0.00 0.00 42.46 38.68 2p1g s ILE 215 CO 0.09 0.46 0.78 0.29 -1.23 0.00 0.00 174.94 175.34 2p1g n LYS 216 N 4.70 -3.65 -0.24 2.79 5.02 -1.26 -1.31 118.16 124.20 2p1g n LYS 216 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2p1g n LYS 216 Cb 0.50 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 2p1g n LYS 216 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p1g n GLY 217 N -1.40 1.76 3.86 0.72 0.00 -1.26 -5.02 105.19 103.84 2p1g n GLY 217 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2p1g n GLY 217 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p1g s GLN 218 N -0.27 3.35 -0.30 1.61 -0.21 -0.43 -4.53 119.66 118.88 2p1g s GLN 218 Ca 0.00 -0.25 -0.28 0.00 0.02 0.00 0.00 55.36 54.85 2p1g s GLN 218 Cb 0.00 -3.09 0.01 0.00 1.00 0.00 0.00 33.01 30.94 2p1g s GLN 218 CO 0.00 0.73 1.02 -1.17 -2.12 0.00 0.00 175.29 173.75 2p1g s LEU 219 N -1.35 3.99 0.34 2.90 2.96 0.64 -0.79 118.68 127.36 2p1g s LEU 219 Ca 0.19 1.05 0.09 0.00 -0.22 0.00 0.00 54.13 55.24 2p1g s LEU 219 Cb -0.12 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 2p1g s LEU 219 CO 0.09 -0.80 0.08 -1.00 -1.32 0.00 0.00 176.35 173.40 2p1g s HIS 220 N 3.46 2.63 -0.21 5.38 3.76 0.33 -0.47 115.29 130.17 2p1g s HIS 220 Ca 0.43 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 2p1g s HIS 220 Cb -0.13 -1.57 -0.03 0.00 1.11 0.00 0.00 32.58 31.97 2p1g s HIS 220 CO 0.13 0.41 0.03 -1.17 -0.85 0.00 0.00 174.74 173.28 2p1g s LEU 221 N -3.78 3.40 -0.24 0.89 2.96 -1.26 -1.63 118.68 119.02 2p1g s LEU 221 Ca 0.36 -0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 53.93 2p1g s LEU 221 Cb -0.01 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2p1g s LEU 221 CO 0.21 0.07 0.58 -0.22 -1.32 0.00 0.00 176.35 175.67 2p1g s LEU 222 N 1.00 4.09 0.14 -0.68 2.96 0.76 -0.64 118.68 126.31 2p1g s LEU 222 Ca 0.02 0.67 -0.22 0.00 -0.22 0.00 0.00 54.13 54.39 2p1g s LEU 222 Cb -0.14 -2.78 0.06 0.00 0.50 0.00 0.00 46.19 43.83 2p1g s LEU 222 CO 0.02 -0.30 0.56 -1.38 -1.32 0.00 0.00 176.35 173.93 2p1g s HIS 223 N 2.21 -0.47 -0.27 5.38 -3.43 -0.17 -0.09 115.29 118.44 2p1g s HIS 223 Ca 0.25 0.27 -0.29 0.00 -0.80 0.00 0.00 55.06 54.49 2p1g s HIS 223 Cb -0.16 0.49 0.01 0.00 -1.43 0.00 0.00 32.58 31.50 2p1g s HIS 223 CO 0.09 -0.81 1.06 0.00 -2.00 0.00 0.00 174.74 173.08 2p1g s ALA 224 N -3.66 3.60 -0.26 -1.38 0.00 -1.26 -1.40 121.76 117.41 2p1g s ALA 224 Ca 0.01 0.07 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 2p1g s ALA 224 Cb -0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 2p1g s ALA 224 CO -0.12 -1.26 0.04 0.45 0.00 0.00 0.00 175.76 174.87 2p1g s SER 225 N 1.42 4.86 0.42 0.00 0.15 -0.39 -4.40 113.70 115.77 2p1g s SER 225 Ca 0.45 -0.44 0.13 0.00 0.70 0.00 0.00 55.95 56.79 2p1g s SER 225 Cb -0.14 -1.85 0.91 0.00 -1.71 0.00 0.00 66.02 63.23 2p1g s SER 225 CO 0.10 -0.08 1.95 0.77 1.20 0.00 0.00 173.24 177.18 2p1g h SER 226 N 8.19 0.06 -0.08 5.45 4.64 -1.94 0.22 113.55 130.10 2p1g h SER 226 Ca -0.37 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 60.79 2p1g h SER 226 Cb 1.15 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2p1g h SER 226 CO 0.59 0.26 -0.46 0.11 -0.87 0.00 0.00 176.83 176.47 2p1g h LYS 227 N 0.06 0.63 -0.00 4.77 1.57 -1.94 -3.11 116.57 118.57 2p1g h LYS 227 Ca 0.01 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2p1g h LYS 227 Cb 0.37 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2p1g h LYS 227 CO 0.03 0.96 -0.77 0.39 -0.57 0.00 0.00 179.45 179.49 2p1g n GLU 228 N -4.01 0.01 -1.12 3.15 -0.58 -1.15 -4.97 120.64 111.97 2p1g n GLU 228 Ca -0.02 -0.01 -0.04 0.00 -0.42 0.00 0.00 57.16 56.67 2p1g n GLU 228 Cb 0.56 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.91 2p1g n GLU 228 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p1g n GLY 229 N 1.50 0.69 3.74 0.62 0.00 0.73 -4.97 105.19 107.49 2p1g n GLY 229 Ca 0.05 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 2p1g n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p1g s LYS 230 N -1.90 1.00 0.00 1.61 -2.85 -0.83 -1.34 119.74 115.43 2p1g s LYS 230 Ca 0.00 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.10 2p1g s LYS 230 Cb 0.00 0.33 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 2p1g s LYS 230 CO 0.00 -0.46 1.38 0.08 0.10 0.00 0.00 175.35 176.45 2p1g s VAL 231 N -2.95 3.74 0.08 1.79 1.01 -0.07 -1.26 120.40 122.75 2p1g s VAL 231 Ca 0.14 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.27 2p1g s VAL 231 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2p1g s VAL 231 CO 0.01 0.00 -0.07 0.68 0.00 0.00 0.00 175.10 175.73 2p1g s VAL 232 N 2.28 0.65 -0.16 2.92 -7.23 -0.49 -0.89 120.40 117.49 2p1g s VAL 232 Ca 0.63 -1.69 -0.25 0.00 -1.81 0.00 0.00 61.98 58.86 2p1g s VAL 232 Cb -0.31 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.24 2p1g s VAL 232 CO 0.26 -0.73 0.82 -0.69 -0.31 0.00 0.00 175.10 174.46 2p1g s VAL 233 N -2.97 4.89 0.42 1.32 1.01 -1.26 -1.00 120.40 122.81 2p1g s VAL 233 Ca 0.06 1.63 -0.25 0.00 0.00 0.00 0.00 61.98 63.41 2p1g s VAL 233 Cb 0.01 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 2p1g s VAL 233 CO -0.03 0.05 1.13 0.61 0.00 0.00 0.00 175.10 176.86 2p1g n GLY 234 N 3.42 0.15 0.30 4.51 0.00 0.19 -4.89 105.19 108.87 2p1g n GLY 234 Ca 0.04 0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.26 2p1g n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p1g h LYS 235 N 1.80 0.58 -5.85 1.61 1.57 -1.96 -3.45 116.57 110.88 2p1g h LYS 235 Ca -0.46 -0.06 -0.59 0.00 -1.87 0.00 0.00 60.65 57.67 2p1g h LYS 235 Cb 1.32 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.40 2p1g h LYS 235 CO 0.58 0.44 -0.56 0.95 -0.57 0.00 0.00 179.45 180.29 2p1g s THR 236 N -5.39 2.27 0.59 -0.16 -4.23 -1.26 -5.10 115.64 102.36 2p1g s THR 236 Ca -0.08 -1.87 -0.20 0.00 -1.18 0.00 0.00 61.69 58.36 2p1g s THR 236 Cb 0.17 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 2p1g s THR 236 CO 0.75 -0.05 1.32 0.00 -0.54 0.00 0.00 174.62 176.09 2p1g n ALA 237 N -1.08 1.35 -0.31 3.99 0.00 -1.26 -4.65 120.51 118.56 2p1g n ALA 237 Ca -0.03 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2p1g n ALA 237 Cb 0.65 -2.33 0.23 0.00 0.00 0.00 0.00 19.45 18.00 2p1g n ALA 237 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2p1g h LEU 238 N 1.04 0.61 -1.42 0.00 5.85 -1.09 -1.36 115.31 118.95 2p1g h LEU 238 Ca -0.51 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.38 2p1g h LEU 238 Cb 1.32 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 2p1g h LEU 238 CO 0.55 0.27 0.47 0.77 -0.34 0.00 0.00 178.44 180.16 2p1g h SER 239 N 0.69 0.61 -0.13 1.25 4.64 -1.82 -1.42 113.55 117.36 2p1g h SER 239 Ca 0.48 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.71 2p1g h SER 239 Cb 0.65 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2p1g h SER 239 CO -0.35 0.38 -0.29 -0.61 -0.87 0.00 0.00 176.83 175.10 2p1g h GLN 240 N 0.68 0.43 -0.66 4.77 4.15 -1.63 -1.23 115.11 121.63 2p1g h GLN 240 Ca 0.32 -0.29 0.13 0.00 0.77 0.00 0.00 58.65 59.58 2p1g h GLN 240 Cb 0.36 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 27.99 2p1g h GLN 240 CO -0.11 0.89 0.16 1.98 -1.93 0.00 0.00 178.83 179.82 2p1g h MET 241 N 0.03 0.27 -0.06 1.69 4.05 -1.01 -1.07 114.93 118.83 2p1g h MET 241 Ca 0.00 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 2p1g h MET 241 Cb 0.88 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 2p1g h MET 241 CO 0.06 0.18 -0.03 -0.07 0.23 0.00 0.00 176.91 177.28 2p1g h LEU 242 N 0.28 0.13 -1.59 3.39 3.38 -1.22 -3.21 115.31 116.47 2p1g h LEU 242 Ca 0.36 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2p1g h LEU 242 Cb 0.56 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2p1g h LEU 242 CO -0.44 0.53 -0.13 0.11 0.09 0.00 0.00 178.44 178.59 2p1g h LYS 243 N -0.27 0.00 0.00 1.13 1.57 -0.93 -2.52 116.57 115.55 2p1g h LYS 243 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2p1g h LYS 243 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2p1g h LYS 243 CO 0.01 0.13 0.00 -0.44 -0.57 0.00 0.00 179.45 178.58 2p1g h ASP 244 N 0.00 0.00 -3.19 0.86 3.32 -1.21 -3.44 116.42 112.77 2p1g h ASP 244 Ca -0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 2p1g h ASP 244 Cb 0.51 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.74 2p1g h ASP 244 CO 0.02 0.00 -0.82 -0.60 -1.72 0.00 0.00 179.24 176.12 2p1g s ARG 245 N -3.26 3.13 0.48 3.56 3.52 -0.95 -5.00 118.95 120.43 2p1g s ARG 245 Ca 0.07 -0.76 0.26 0.00 -0.13 0.00 0.00 55.73 55.16 2p1g s ARG 245 Cb 0.09 -2.69 1.19 0.00 -1.56 0.00 0.00 34.95 31.97 2p1g s ARG 245 CO 0.59 -0.17 1.95 1.57 -0.81 0.00 0.00 175.30 178.43 2p1g h LYS 246 N 7.89 0.00 0.00 5.12 2.10 -1.85 -2.45 116.57 127.37 2p1g h LYS 246 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2p1g h LYS 246 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2p1g h LYS 246 CO 0.62 0.18 0.00 0.66 -2.00 0.00 0.00 179.45 178.91 2p1g h SER 247 N 0.00 0.00 -3.22 7.07 4.64 -1.94 -3.45 113.55 116.65 2p1g h SER 247 Ca -0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2p1g h SER 247 Cb 0.54 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 2p1g h SER 247 CO 0.02 0.00 -0.19 -0.76 -0.87 0.00 0.00 176.83 175.03 2p1g s LEU 248 N -4.81 4.33 -0.01 5.97 1.43 -0.93 -1.19 118.68 123.48 2p1g s LEU 248 Ca 0.08 0.80 0.07 0.00 -1.03 0.00 0.00 54.13 54.06 2p1g s LEU 248 Cb 0.10 -2.60 -0.11 0.00 0.03 0.00 0.00 46.19 43.62 2p1g s LEU 248 CO 0.55 0.12 0.19 0.35 0.23 0.00 0.00 176.35 177.79 2p1g n THR 249 N 3.05 0.00 -3.90 5.49 -2.24 -0.26 -4.91 114.28 111.51 2p1g n THR 249 Ca -0.10 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2p1g n THR 249 Cb 0.52 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 2p1g n THR 249 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p1g n GLY 250 N 1.91 -0.49 3.01 3.38 0.00 -1.25 -1.29 105.19 110.46 2p1g n GLY 250 Ca -0.01 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 2p1g n GLY 250 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2p1g s ILE 251 N -3.01 0.14 0.04 -0.61 -4.36 -0.36 -0.76 121.20 112.27 2p1g s ILE 251 Ca 0.00 -1.13 0.04 0.00 -0.26 0.00 0.00 60.65 59.30 2p1g s ILE 251 Cb 0.00 -0.59 -0.04 0.00 1.25 0.00 0.00 42.46 43.09 2p1g s ILE 251 CO 0.00 -0.62 -0.06 -0.13 0.24 0.00 0.00 174.94 174.36 2p1g s ARG 252 N -2.09 2.46 -0.12 0.37 0.52 0.20 -0.83 118.95 119.47 2p1g s ARG 252 Ca -0.10 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 2p1g s ARG 252 Cb -0.05 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 32.96 2p1g s ARG 252 CO -0.03 0.57 -0.17 0.08 0.02 0.00 0.00 175.30 175.77 2p1g s VAL 253 N -1.09 1.67 0.16 3.52 1.01 -1.26 -0.99 120.40 123.42 2p1g s VAL 253 Ca 0.19 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2p1g s VAL 253 Cb -0.11 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2p1g s VAL 253 CO 0.11 0.47 -0.18 -0.76 0.00 0.00 0.00 175.10 174.74 2p1g s LEU 254 N 0.92 2.43 -0.01 3.92 1.43 0.26 -0.33 118.68 127.31 2p1g s LEU 254 Ca -0.07 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2p1g s LEU 254 Cb -0.15 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.29 2p1g s LEU 254 CO -0.01 -0.05 0.01 -0.60 0.23 0.00 0.00 176.35 175.93 2p1g s ARG 255 N -2.74 -0.00 0.00 1.70 3.52 -0.48 0.11 118.95 121.05 2p1g s ARG 255 Ca 0.14 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.80 2p1g s ARG 255 Cb -0.06 -0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.27 2p1g s ARG 255 CO 0.06 -0.05 0.52 -0.12 -0.81 0.00 0.00 175.30 174.90