#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wck n LEU 81 N 0.00 0.68 0.00 0.99 -0.00 -1.26 -5.09 117.00 112.32 1wck n LEU 81 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1wck n LEU 81 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 1wck n LEU 81 CO 0.00 0.13 0.00 0.61 -0.00 0.00 0.00 177.39 178.13 1wck n GLY 82 N 1.43 -0.79 3.91 1.47 0.00 -1.26 -5.03 105.19 104.92 1wck n GLY 82 Ca 0.03 -2.16 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1wck n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wck s LEU 83 N 0.00 4.34 0.43 0.99 1.43 -1.26 -5.02 118.68 119.59 1wck s LEU 83 Ca 0.00 0.35 0.19 0.00 -1.03 0.00 0.00 54.13 53.64 1wck s LEU 83 Cb 0.00 -2.97 0.96 0.00 0.03 0.00 0.00 46.19 44.21 1wck s LEU 83 CO 0.00 0.16 1.89 1.55 0.23 0.00 0.00 176.35 180.18 1wck h PRO 84 N 3.15 0.00 -1.80 1.29 0.13 -1.95 -3.47 132.00 129.36 1wck h PRO 84 Ca -0.46 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1wck h PRO 84 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1wck h PRO 84 CO 0.74 0.28 0.38 0.00 -0.23 0.00 0.00 178.00 179.17 1wck s ALA 85 N -4.04 -1.85 -0.08 -0.56 0.00 -1.26 -4.22 121.76 109.75 1wck s ALA 85 Ca -0.02 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 1wck s ALA 85 Cb 0.13 -0.34 0.09 0.00 0.00 0.00 0.00 23.12 23.00 1wck s ALA 85 CO 0.67 -0.35 0.81 0.20 0.00 0.00 0.00 175.76 177.08 1wck s GLY 86 N -1.19 -0.46 -0.06 0.00 0.00 -0.61 -1.23 107.32 103.76 1wck s GLY 86 Ca -0.06 1.51 -0.03 0.00 0.00 0.00 0.00 44.72 46.14 1wck s GLY 86 CO 0.05 0.90 0.14 -2.27 0.00 0.00 0.00 173.10 171.92 1wck s LEU 87 N -1.34 0.86 -0.15 0.66 0.20 0.10 -1.19 118.68 117.82 1wck s LEU 87 Ca -0.06 0.29 0.01 0.00 0.69 0.00 0.00 54.13 55.06 1wck s LEU 87 Cb -0.00 0.37 0.00 0.00 -0.43 0.00 0.00 46.19 46.13 1wck s LEU 87 CO 0.04 -0.13 -0.18 -0.47 -0.29 0.00 0.00 176.35 175.32 1wck s TYR 88 N 0.98 2.74 0.08 5.38 5.04 -0.04 -1.15 117.35 130.38 1wck s TYR 88 Ca -0.08 -1.14 0.02 0.00 -2.44 0.00 0.00 57.07 53.43 1wck s TYR 88 Cb -0.10 -1.86 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 1wck s TYR 88 CO -0.05 -0.52 -0.07 0.00 -1.34 0.00 0.00 175.55 173.57 1wck s ALA 89 N 0.80 0.88 0.19 3.97 0.00 -0.45 -0.35 121.76 126.80 1wck s ALA 89 Ca -0.06 -1.21 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 1wck s ALA 89 Cb -0.15 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1wck s ALA 89 CO -0.01 -0.18 0.41 -0.59 0.00 0.00 0.00 175.76 175.40 1wck s PHE 90 N -3.07 0.15 -0.15 0.00 -0.12 0.26 -1.01 117.98 114.04 1wck s PHE 90 Ca 0.07 -0.51 -0.00 0.00 -0.05 0.00 0.00 56.93 56.43 1wck s PHE 90 Cb 0.02 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 1wck s PHE 90 CO -0.04 -0.84 -0.13 1.21 -0.05 0.00 0.00 175.22 175.38 1wck s ASN 91 N -2.93 3.93 -0.06 1.98 3.84 -0.19 -1.28 114.94 120.24 1wck s ASN 91 Ca 0.14 -0.38 0.03 0.00 0.21 0.00 0.00 52.86 52.86 1wck s ASN 91 Cb 0.01 -1.61 0.00 0.00 -0.55 0.00 0.00 41.25 39.10 1wck s ASN 91 CO -0.00 0.12 -0.16 -0.55 -2.79 0.00 0.00 177.10 173.71 1wck s SER 92 N 0.63 2.14 0.13 -4.21 0.15 -1.26 -1.28 113.70 110.00 1wck s SER 92 Ca -0.07 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 55.97 1wck s SER 92 Cb -0.15 -0.80 0.07 0.00 -1.71 0.00 0.00 66.02 63.43 1wck s SER 92 CO 0.03 0.11 0.74 -0.83 1.20 0.00 0.00 173.24 174.49 1wck s GLY 93 N 0.32 -0.45 0.00 9.45 0.00 -0.63 -4.96 107.32 111.05 1wck s GLY 93 Ca -0.10 0.47 0.25 0.00 0.00 0.00 0.00 44.72 45.34 1wck s GLY 93 CO 0.04 0.15 1.42 0.61 0.00 0.00 0.00 173.10 175.32 1wck n GLY 94 N -0.36 -0.71 3.27 0.20 0.00 -1.26 -0.38 105.19 105.95 1wck n GLY 94 Ca -0.11 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1wck n GLY 94 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wck s ILE 95 N -2.65 1.33 0.62 -0.61 -4.36 -1.26 -4.79 121.20 109.48 1wck s ILE 95 Ca 0.19 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.40 1wck s ILE 95 Cb 0.18 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 1wck s ILE 95 CO 0.59 -0.63 1.16 -0.94 0.24 0.00 0.00 174.94 175.36 1wck s SER 96 N -3.02 5.17 -0.16 4.36 1.04 -1.26 -4.19 113.70 115.64 1wck s SER 96 Ca 0.16 2.21 0.00 0.00 0.48 0.00 0.00 55.95 58.80 1wck s SER 96 Cb -0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1wck s SER 96 CO 0.03 -1.59 -0.16 -0.22 0.98 0.00 0.00 173.24 172.28 1wck s LEU 97 N -4.38 2.43 -0.20 2.42 2.96 -0.29 -4.94 118.68 116.68 1wck s LEU 97 Ca 0.73 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 54.06 1wck s LEU 97 Cb -0.25 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1wck s LEU 97 CO 0.35 0.07 0.07 -1.81 -1.32 0.00 0.00 176.35 173.71 1wck s ASP 98 N 0.93 5.56 0.06 3.68 1.01 -1.26 -0.67 116.67 125.97 1wck s ASP 98 Ca -0.03 0.02 0.07 0.00 0.71 0.00 0.00 52.55 53.33 1wck s ASP 98 Cb -0.15 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 1wck s ASP 98 CO -0.02 0.13 -0.20 -0.76 0.21 0.00 0.00 175.17 174.52 1wck s LEU 99 N 0.67 2.21 0.49 1.23 1.43 0.33 -5.01 118.68 120.01 1wck s LEU 99 Ca 0.04 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1wck s LEU 99 Cb -0.13 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.18 1wck s LEU 99 CO 0.02 0.12 0.47 -0.83 0.23 0.00 0.00 176.35 176.36 1wck s GLY 100 N -1.39 2.14 0.25 -3.19 0.00 -1.26 -1.51 107.32 102.35 1wck s GLY 100 Ca 0.07 -1.72 -0.30 0.00 0.00 0.00 0.00 44.72 42.76 1wck s GLY 100 CO 0.02 -1.77 1.26 4.51 0.00 0.00 0.00 173.10 177.12 1wck n ILE 101 N -1.76 1.29 -0.66 0.90 3.06 -1.26 -1.70 119.36 119.23 1wck n ILE 101 Ca 0.04 -0.32 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 1wck n ILE 101 Cb 0.62 -1.25 0.00 0.00 0.54 0.00 0.00 39.64 39.56 1wck n ILE 101 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1wck n ASN 102 N 1.74 0.00 -4.76 9.51 3.02 -0.28 -4.98 115.26 119.51 1wck n ASN 102 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 1wck n ASN 102 Cb 0.31 -1.06 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 1wck n ASN 102 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wck s ASP 103 N -2.63 6.92 0.42 6.41 1.01 -0.69 -4.69 116.67 123.42 1wck s ASP 103 Ca 0.00 2.55 -0.22 0.00 0.71 0.00 0.00 52.55 55.59 1wck s ASP 103 Cb 0.00 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.19 1wck s ASP 103 CO 0.00 -0.42 0.99 -2.16 0.21 0.00 0.00 175.17 173.78 1wck s PRO 104 N -1.57 4.19 -0.04 8.23 0.04 -1.26 -0.81 135.00 143.78 1wck s PRO 104 Ca 0.48 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.51 1wck s PRO 104 Cb -0.37 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1wck s PRO 104 CO 0.49 -0.08 1.18 0.08 0.04 0.00 0.00 177.00 178.70 1wck s VAL 105 N -1.94 4.29 0.42 -0.36 1.01 0.52 -4.92 120.40 119.42 1wck s VAL 105 Ca 0.60 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 64.02 1wck s VAL 105 Cb -0.15 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 1wck s VAL 105 CO 0.19 0.02 0.89 -2.16 0.00 0.00 0.00 175.10 174.04 1wck s PRO 106 N 2.01 4.11 -0.43 2.72 0.04 -1.26 -4.64 135.00 137.55 1wck s PRO 106 Ca 0.55 0.95 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1wck s PRO 106 Cb -0.25 -2.25 0.13 0.00 0.04 0.00 0.00 34.50 32.18 1wck s PRO 106 CO 0.23 -0.02 0.23 -0.06 0.04 0.00 0.00 177.00 177.42 1wck s PHE 107 N -2.21 1.93 -1.69 0.56 0.40 0.78 -4.45 117.98 113.30 1wck s PHE 107 Ca 0.59 -2.39 0.24 0.00 -0.60 0.00 0.00 56.93 54.77 1wck s PHE 107 Cb -0.09 -1.85 1.30 0.00 0.51 0.00 0.00 43.02 42.89 1wck s PHE 107 CO 0.18 -0.79 1.79 0.27 0.70 0.00 0.00 175.22 177.37 1wck n ASN 108 N 3.58 0.00 -3.80 1.36 2.04 -1.00 -4.64 115.26 112.81 1wck n ASN 108 Ca 0.09 -0.38 -0.16 0.00 -0.44 0.00 0.00 54.58 53.68 1wck n ASN 108 Cb 0.35 -0.15 -0.16 0.00 -2.53 0.00 0.00 39.78 37.28 1wck n ASN 108 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 1wck s THR 109 N -2.31 0.09 -0.25 5.53 2.01 -0.40 -4.99 115.64 115.32 1wck s THR 109 Ca 0.29 0.14 -0.18 0.00 0.31 0.00 0.00 61.69 62.25 1wck s THR 109 Cb 0.16 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.44 1wck s THR 109 CO 0.32 0.13 0.52 -0.69 -0.69 0.00 0.00 174.62 174.20 1wck s VAL 110 N 1.07 5.08 -0.04 3.82 1.01 -1.26 -0.57 120.40 129.51 1wck s VAL 110 Ca -0.09 0.90 -0.18 0.00 0.00 0.00 0.00 61.98 62.61 1wck s VAL 110 Cb -0.13 -3.83 -0.32 0.00 0.00 0.00 0.00 36.38 32.10 1wck s VAL 110 CO -0.02 0.11 0.84 1.23 0.00 0.00 0.00 175.10 177.25 1wck h GLY 111 N 8.59 0.42 -4.41 4.51 0.00 -1.04 -3.49 103.07 107.64 1wck h GLY 111 Ca -0.30 -1.08 -0.01 0.00 0.00 0.00 0.00 47.33 45.94 1wck h GLY 111 CO 0.72 0.94 0.29 -0.45 0.00 0.00 0.00 176.54 178.04 1wck s SER 112 N -7.19 -0.59 -0.08 0.19 0.15 -1.08 -5.01 113.70 100.09 1wck s SER 112 Ca -0.14 0.79 -0.10 0.00 0.70 0.00 0.00 55.95 57.21 1wck s SER 112 Cb 0.03 0.68 0.02 0.00 -1.71 0.00 0.00 66.02 65.04 1wck s SER 112 CO 0.85 -0.44 0.26 0.00 1.20 0.00 0.00 173.24 175.12 1wck s GLN 113 N -0.76 0.36 0.05 5.44 -2.07 -1.26 -0.86 119.66 120.56 1wck s GLN 113 Ca -0.06 0.26 0.02 0.00 -1.82 0.00 0.00 55.36 53.76 1wck s GLN 113 Cb -0.01 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 1wck s GLN 113 CO 0.05 -0.06 -0.06 -0.59 -1.32 0.00 0.00 175.29 173.31 1wck s PHE 114 N -0.12 0.64 0.11 9.60 -0.12 -0.34 -5.00 117.98 122.75 1wck s PHE 114 Ca -0.02 -0.63 0.00 0.00 -0.05 0.00 0.00 56.93 56.23 1wck s PHE 114 Cb -0.03 -0.39 0.00 0.00 -0.63 0.00 0.00 43.02 41.98 1wck s PHE 114 CO 0.01 -0.14 0.00 0.41 -0.05 0.00 0.00 175.22 175.45 1wck n GLY 115 N 1.08 -1.99 0.00 1.99 0.00 -1.26 -1.57 105.19 103.44 1wck n GLY 115 Ca -0.20 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1wck n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wck n THR 116 N -1.98 0.05 0.25 2.61 -2.24 -1.26 -4.75 114.28 106.96 1wck n THR 116 Ca 0.00 -0.42 0.09 0.00 -2.27 0.00 0.00 64.05 61.45 1wck n THR 116 Cb 0.21 1.17 0.64 0.00 -2.10 0.00 0.00 70.33 70.25 1wck n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wck h ALA 117 N 0.00 1.67 -3.27 6.98 0.00 -1.89 -3.41 119.26 119.33 1wck h ALA 117 Ca 0.00 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 1wck h ALA 117 Cb 0.14 -0.02 -0.35 0.00 0.00 0.00 0.00 17.79 17.56 1wck h ALA 117 CO 0.00 0.13 -0.82 0.42 0.00 0.00 0.00 179.25 178.98 1wck s ILE 118 N -4.66 1.24 0.11 0.00 1.01 -1.26 -0.81 121.20 116.83 1wck s ILE 118 Ca -0.04 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1wck s ILE 118 Cb 0.15 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1wck s ILE 118 CO 0.65 0.39 -0.02 -0.44 0.00 0.00 0.00 174.94 175.52 1wck s SER 119 N 1.18 0.83 -0.24 3.58 0.01 -0.53 -4.85 113.70 113.69 1wck s SER 119 Ca -0.04 -1.08 -0.12 0.00 1.31 0.00 0.00 55.95 56.02 1wck s SER 119 Cb -0.14 0.16 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 1wck s SER 119 CO -0.03 -0.57 0.25 -1.58 0.41 0.00 0.00 173.24 171.71 1wck s GLN 120 N -3.91 4.08 -0.12 12.44 0.74 -1.26 -0.53 119.66 131.09 1wck s GLN 120 Ca 0.16 -0.12 -0.22 0.00 0.05 0.00 0.00 55.36 55.22 1wck s GLN 120 Cb 0.07 -3.57 -0.20 0.00 1.10 0.00 0.00 33.01 30.41 1wck s GLN 120 CO -0.03 -0.03 0.62 1.25 -0.55 0.00 0.00 175.29 176.55 1wck h LEU 121 N 7.77 -0.01 0.00 3.68 5.85 -1.28 -3.48 115.31 127.85 1wck h LEU 121 Ca -0.36 -0.75 -0.13 0.00 0.84 0.00 0.00 57.88 57.48 1wck h LEU 121 Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1wck h LEU 121 CO 0.66 0.85 -0.08 -0.90 -0.34 0.00 0.00 178.44 178.64 1wck n ASP 122 N -4.67 -0.58 0.10 1.25 5.68 -1.15 -5.01 116.55 112.18 1wck n ASP 122 Ca -0.08 -1.85 0.17 0.00 -0.50 0.00 0.00 54.79 52.54 1wck n ASP 122 Cb 0.36 1.09 0.72 0.00 -1.14 0.00 0.00 41.12 42.15 1wck n ASP 122 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wck h ALA 123 N 1.68 2.23 0.00 2.12 0.00 -1.95 -2.64 119.26 120.70 1wck h ALA 123 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wck h ALA 123 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wck h ALA 123 CO 0.16 -0.45 -1.23 -0.25 0.00 0.00 0.00 179.25 177.48 1wck n ASP 124 N -4.24 0.58 -3.79 0.00 8.00 -1.26 -0.15 116.55 115.68 1wck n ASP 124 Ca 0.05 -0.38 -0.14 0.00 0.71 0.00 0.00 54.79 55.03 1wck n ASP 124 Cb 0.44 1.11 -0.15 0.00 -0.02 0.00 0.00 41.12 42.50 1wck n ASP 124 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1wck s THR 125 N -3.21 -0.04 0.05 -3.53 2.01 -1.00 -4.56 115.64 105.36 1wck s THR 125 Ca 0.02 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.23 1wck s THR 125 Cb 0.15 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.54 1wck s THR 125 CO 0.84 0.06 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.41 1wck s PHE 126 N 0.80 2.85 -0.14 4.92 0.40 -0.51 -0.76 117.98 125.54 1wck s PHE 126 Ca -0.07 -0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1wck s PHE 126 Cb -0.09 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 1wck s PHE 126 CO -0.02 0.41 -0.16 0.54 0.70 0.00 0.00 175.22 176.68 1wck s VAL 127 N -1.12 2.67 -0.22 -0.44 0.11 0.31 -0.57 120.40 121.14 1wck s VAL 127 Ca 0.20 -0.78 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 1wck s VAL 127 Cb -0.11 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.60 1wck s VAL 127 CO 0.11 0.53 0.07 -0.63 -3.33 0.00 0.00 175.10 171.85 1wck s ILE 128 N 0.57 4.51 -1.29 7.04 1.01 0.26 -1.45 121.20 131.86 1wck s ILE 128 Ca -0.10 -0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1wck s ILE 128 Cb -0.16 -3.07 0.13 0.00 0.01 0.00 0.00 42.46 39.37 1wck s ILE 128 CO 0.04 0.39 0.93 -1.54 0.00 0.00 0.00 174.94 174.76 1wck n SER 129 N 4.30 2.12 -4.10 3.58 3.41 0.01 -1.19 113.62 121.76 1wck n SER 129 Ca -0.16 -1.57 -0.22 0.00 -0.26 0.00 0.00 58.87 56.65 1wck n SER 129 Cb 0.52 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.27 1wck n SER 129 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1wck s GLU 130 N -0.94 1.18 0.67 4.33 2.02 -1.26 -4.91 118.70 119.80 1wck s GLU 130 Ca 0.15 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 1wck s GLU 130 Cb 0.10 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 33.21 1wck s GLU 130 CO 0.14 0.28 1.10 0.95 0.02 0.00 0.00 175.26 177.74 1wck s THR 131 N -0.24 3.38 -5.00 3.63 -4.23 -1.26 -4.91 115.64 107.01 1wck s THR 131 Ca 0.04 0.60 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 1wck s THR 131 Cb -0.06 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1wck s THR 131 CO -0.00 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.24 1wck n GLY 132 N -0.80 0.86 3.66 3.99 0.00 -0.70 -4.76 105.19 107.43 1wck n GLY 132 Ca 0.10 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 1wck n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wck s PHE 133 N -2.84 3.19 -0.02 1.61 0.40 0.26 -0.31 117.98 120.26 1wck s PHE 133 Ca 0.00 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.49 1wck s PHE 133 Cb 0.00 -1.88 -0.00 0.00 0.51 0.00 0.00 43.02 41.65 1wck s PHE 133 CO 0.00 0.36 -0.12 0.71 0.70 0.00 0.00 175.22 176.86 1wck s TYR 134 N -0.48 1.20 -0.14 0.36 1.51 -0.21 -0.72 117.35 118.86 1wck s TYR 134 Ca 0.09 -0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 1wck s TYR 134 Cb -0.12 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 40.87 1wck s TYR 134 CO 0.02 -0.08 0.20 0.21 -1.11 0.00 0.00 175.55 174.79 1wck s LYS 135 N -0.05 3.92 -0.09 -0.62 2.20 0.01 -0.67 119.74 124.44 1wck s LYS 135 Ca 0.00 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1wck s LYS 135 Cb -0.08 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 1wck s LYS 135 CO 0.00 0.49 -0.13 0.42 -0.36 0.00 0.00 175.35 175.78 1wck s ILE 136 N -0.24 1.26 -0.07 5.43 1.01 -0.15 -0.89 121.20 127.55 1wck s ILE 136 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1wck s ILE 136 Cb -0.12 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1wck s ILE 136 CO 0.03 0.39 -0.12 0.28 0.00 0.00 0.00 174.94 175.52 1wck s THR 137 N 0.89 1.10 -0.06 2.92 -1.32 -0.45 -1.27 115.64 117.46 1wck s THR 137 Ca -0.10 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 59.98 1wck s THR 137 Cb -0.15 -1.02 -0.01 0.00 -1.51 0.00 0.00 72.50 69.81 1wck s THR 137 CO 0.01 0.35 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.85 1wck s VAL 138 N 0.74 1.85 -0.12 5.08 1.01 0.11 -1.31 120.40 127.77 1wck s VAL 138 Ca -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1wck s VAL 138 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.66 1wck s VAL 138 CO 0.03 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 1wck s ILE 139 N -0.05 1.69 -0.14 2.22 1.01 -0.55 -1.19 121.20 124.18 1wck s ILE 139 Ca -0.05 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1wck s ILE 139 Cb -0.13 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1wck s ILE 139 CO 0.04 0.48 -0.20 0.00 0.00 0.00 0.00 174.94 175.25 1wck s ALA 140 N 0.93 2.16 -0.49 9.38 0.00 0.22 -0.51 121.76 133.46 1wck s ALA 140 Ca -0.07 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 1wck s ALA 140 Cb -0.15 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.01 1wck s ALA 140 CO -0.02 -0.12 0.64 -0.80 0.00 0.00 0.00 175.76 175.46 1wck s ASN 141 N 0.97 6.24 0.52 0.00 0.01 0.09 -0.67 114.94 122.11 1wck s ASN 141 Ca -0.04 -0.77 -0.15 0.00 -0.71 0.00 0.00 52.86 51.19 1wck s ASN 141 Cb -0.15 -2.30 -0.07 0.00 0.41 0.00 0.00 41.25 39.14 1wck s ASN 141 CO -0.05 -0.88 0.96 0.42 -1.51 0.00 0.00 177.10 176.05 1wck s THR 142 N 2.71 4.60 0.62 1.60 -4.23 -1.23 -0.34 115.64 119.36 1wck s THR 142 Ca 0.17 1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 61.63 1wck s THR 142 Cb -0.18 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1wck s THR 142 CO 0.14 -0.74 1.03 0.00 -0.54 0.00 0.00 174.62 174.51 1wck s ALA 143 N -2.68 3.00 -0.62 3.99 0.00 -0.25 -4.12 121.76 121.08 1wck s ALA 143 Ca 0.57 0.01 0.26 0.00 0.00 0.00 0.00 51.96 52.79 1wck s ALA 143 Cb -0.10 -3.11 0.84 0.00 0.00 0.00 0.00 23.12 20.75 1wck s ALA 143 CO 0.35 -0.74 1.76 1.79 0.00 0.00 0.00 175.76 178.92 1wck h THR 144 N -0.18 0.00 -3.54 0.00 1.35 -1.90 -2.79 112.91 105.85 1wck h THR 144 Ca -0.44 -0.45 -0.67 0.00 -0.55 0.00 0.00 66.41 64.29 1wck h THR 144 Cb 1.19 1.39 -0.34 0.00 -1.73 0.00 0.00 68.15 68.66 1wck h THR 144 CO 0.61 0.00 -0.78 0.00 -0.25 0.00 0.00 175.52 175.10 1wck s ALA 145 N -3.18 2.61 -0.05 6.62 0.00 -1.26 -4.71 121.76 121.79 1wck s ALA 145 Ca 0.08 -1.52 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 1wck s ALA 145 Cb 0.11 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.69 1wck s ALA 145 CO 0.55 -0.86 0.51 0.45 0.00 0.00 0.00 175.76 176.42 1wck s SER 146 N 1.26 -0.46 0.53 0.00 0.15 -1.26 -4.72 113.70 109.19 1wck s SER 146 Ca -0.02 0.50 -0.21 0.00 0.70 0.00 0.00 55.95 56.92 1wck s SER 146 Cb -0.17 0.51 -0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1wck s SER 146 CO -0.06 -0.50 1.23 -0.69 1.20 0.00 0.00 173.24 174.43 1wck s VAL 147 N -1.09 2.66 -1.31 4.45 1.01 -1.26 -4.93 120.40 119.92 1wck s VAL 147 Ca -0.11 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 1wck s VAL 147 Cb -0.03 -3.22 0.11 0.00 0.00 0.00 0.00 36.38 33.24 1wck s VAL 147 CO 0.07 -0.03 2.43 0.18 0.00 0.00 0.00 175.10 177.75 1wck n LEU 148 N -1.01 8.04 0.00 3.92 4.77 -1.26 -4.39 117.00 127.08 1wck n LEU 148 Ca 0.10 -4.83 0.00 0.00 -0.03 0.00 0.00 56.01 51.25 1wck n LEU 148 Cb 0.48 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1wck n LEU 148 CO 0.48 2.05 0.00 0.61 -1.33 0.00 0.00 177.39 179.20 1wck n GLY 149 N 1.79 1.34 0.42 -0.72 0.00 -0.51 -4.63 105.19 102.87 1wck n GLY 149 Ca 0.63 -1.67 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 1wck n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wck n GLY 150 N 5.00 1.73 3.16 -0.02 0.00 -0.53 -0.55 105.19 113.98 1wck n GLY 150 Ca 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1wck n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wck s LEU 151 N 0.00 2.45 0.05 0.99 1.43 -0.08 -0.63 118.68 122.89 1wck s LEU 151 Ca 0.02 -0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 1wck s LEU 151 Cb -0.00 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 1wck s LEU 151 CO 0.01 -0.36 0.05 0.28 0.23 0.00 0.00 176.35 176.57 1wck s THR 152 N -2.95 0.17 -0.18 5.49 -1.32 -0.36 -1.28 115.64 115.21 1wck s THR 152 Ca 0.07 -1.39 -0.13 0.00 -1.21 0.00 0.00 61.69 59.04 1wck s THR 152 Cb 0.01 -1.19 -0.05 0.00 -1.51 0.00 0.00 72.50 69.76 1wck s THR 152 CO -0.02 -0.77 0.24 -0.63 -2.21 0.00 0.00 174.62 171.24 1wck s ILE 153 N -3.30 5.33 -0.07 5.08 1.01 -1.26 -0.85 121.20 127.15 1wck s ILE 153 Ca 0.01 0.43 0.03 0.00 0.00 0.00 0.00 60.65 61.12 1wck s ILE 153 Cb 0.03 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1wck s ILE 153 CO -0.08 0.39 -0.16 -1.10 0.00 0.00 0.00 174.94 173.99 1wck s GLN 154 N 0.55 2.76 -0.19 2.79 -0.21 0.03 -0.08 119.66 125.32 1wck s GLN 154 Ca 0.14 -0.73 -0.00 0.00 0.02 0.00 0.00 55.36 54.78 1wck s GLN 154 Cb -0.13 -2.41 0.01 0.00 1.00 0.00 0.00 33.01 31.49 1wck s GLN 154 CO 0.02 0.46 -0.16 0.08 -2.12 0.00 0.00 175.29 173.58 1wck s VAL 155 N -0.31 2.44 -1.59 1.09 1.01 -0.43 -1.50 120.40 121.12 1wck s VAL 155 Ca 0.02 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1wck s VAL 155 Cb -0.13 -2.05 0.11 0.00 0.00 0.00 0.00 36.38 34.31 1wck s VAL 155 CO 0.03 0.51 0.93 0.59 0.00 0.00 0.00 175.10 177.15 1wck n ASN 156 N 4.61 -4.43 0.00 3.32 3.02 0.25 -1.64 115.26 120.38 1wck n ASN 156 Ca -0.20 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1wck n ASN 156 Cb 0.50 -3.56 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 1wck n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wck n GLY 157 N -1.60 0.75 3.26 7.41 0.00 -1.26 -5.02 105.19 108.73 1wck n GLY 157 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1wck n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wck s VAL 158 N -2.99 2.92 0.24 1.61 1.01 -0.65 -5.04 120.40 117.50 1wck s VAL 158 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1wck s VAL 158 Cb 0.00 -2.29 -0.13 0.00 0.00 0.00 0.00 36.38 33.96 1wck s VAL 158 CO 0.00 0.47 1.43 -2.65 0.00 0.00 0.00 175.10 174.35 1wck n PRO 159 N 4.56 2.08 -2.29 2.72 -0.02 -1.26 -1.31 135.00 139.48 1wck n PRO 159 Ca -0.19 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1wck n PRO 159 Cb 0.51 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1wck n PRO 159 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wck s VAL 160 N 0.02 4.00 0.23 -1.45 1.01 0.89 -4.88 120.40 120.21 1wck s VAL 160 Ca 0.69 1.26 -0.31 0.00 0.00 0.00 0.00 61.98 63.62 1wck s VAL 160 Cb -0.64 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 31.78 1wck s VAL 160 CO 0.49 -0.08 1.22 -2.65 0.00 0.00 0.00 175.10 174.08 1wck n PRO 161 N 6.30 1.54 -0.48 2.72 -0.02 -1.26 -1.83 135.00 141.98 1wck n PRO 161 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1wck n PRO 161 Cb 0.44 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1wck n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wck n GLY 162 N 1.82 1.34 0.85 -1.23 0.00 -1.26 -4.91 105.19 101.80 1wck n GLY 162 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1wck n GLY 162 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wck n THR 163 N -2.00 0.35 -2.56 2.61 -2.24 -0.76 -4.87 114.28 104.81 1wck n THR 163 Ca 0.00 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1wck n THR 163 Cb 0.00 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 68.88 1wck n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wck s GLY 164 N -1.52 2.10 -0.03 3.38 0.00 -1.26 -3.98 107.32 106.01 1wck s GLY 164 Ca 0.35 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.54 1wck s GLY 164 CO 0.29 2.13 -0.01 -0.45 0.00 0.00 0.00 173.10 175.06 1wck s SER 165 N 1.36 0.45 -0.04 1.64 0.15 -0.41 -5.00 113.70 111.85 1wck s SER 165 Ca 0.52 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 57.15 1wck s SER 165 Cb -0.21 -0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 63.84 1wck s SER 165 CO 0.18 -0.08 -0.08 -0.44 1.20 0.00 0.00 173.24 174.01 1wck s SER 166 N 0.90 4.53 -0.01 5.45 0.01 -1.26 -0.90 113.70 122.42 1wck s SER 166 Ca -0.09 -0.09 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 1wck s SER 166 Cb -0.13 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 1wck s SER 166 CO -0.01 0.34 1.16 -0.22 0.41 0.00 0.00 173.24 174.91 1wck s LEU 167 N -0.98 4.32 0.00 2.44 2.96 0.29 -4.89 118.68 122.82 1wck s LEU 167 Ca 0.14 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.90 1wck s LEU 167 Cb -0.11 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1wck s LEU 167 CO 0.03 -0.49 0.00 2.30 -1.32 0.00 0.00 176.35 176.87 1wck n ILE 168 N 4.26 0.00 -4.05 6.68 -5.35 -1.26 -4.60 119.36 115.05 1wck n ILE 168 Ca 0.09 -0.23 -0.32 0.00 -0.27 0.00 0.00 62.75 62.03 1wck n ILE 168 Cb 0.47 0.85 -0.16 0.00 -1.74 0.00 0.00 39.64 39.06 1wck n ILE 168 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1wck s SER 169 N -0.72 3.78 0.20 7.28 0.15 -1.26 -5.10 113.70 118.03 1wck s SER 169 Ca 0.00 -1.05 -0.32 0.00 0.70 0.00 0.00 55.95 55.28 1wck s SER 169 Cb 0.00 -1.41 -0.12 0.00 -1.71 0.00 0.00 66.02 62.79 1wck s SER 169 CO 0.00 -0.14 1.73 -0.76 1.20 0.00 0.00 173.24 175.27 1wck s LEU 170 N 1.26 4.37 0.00 3.45 1.43 -1.26 -1.74 118.68 126.19 1wck s LEU 170 Ca -0.03 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 1wck s LEU 170 Cb -0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1wck s LEU 170 CO -0.08 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.14 1wck n GLY 171 N 3.99 1.55 3.80 -3.19 0.00 -1.05 -4.84 105.19 105.46 1wck n GLY 171 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1wck n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wck s ALA 172 N -2.73 2.85 0.42 4.61 0.00 -0.71 -4.55 121.76 121.66 1wck s ALA 172 Ca 0.00 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.24 1wck s ALA 172 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1wck s ALA 172 CO 0.00 -0.43 1.03 -1.25 0.00 0.00 0.00 175.76 175.11 1wck s PRO 173 N -3.53 4.08 -0.26 0.00 0.04 -1.26 -3.52 135.00 130.56 1wck s PRO 173 Ca 0.65 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.97 1wck s PRO 173 Cb -0.16 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1wck s PRO 173 CO 0.25 -0.19 0.35 0.42 0.04 0.00 0.00 177.00 177.87 1wck s ILE 174 N -1.80 5.20 -0.12 0.56 1.01 0.16 -4.96 121.20 121.25 1wck s ILE 174 Ca 0.61 0.54 0.02 0.00 0.00 0.00 0.00 60.65 61.82 1wck s ILE 174 Cb -0.19 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1wck s ILE 174 CO 0.24 0.18 -0.18 -0.69 0.00 0.00 0.00 174.94 174.50 1wck s VAL 175 N 1.91 1.68 -0.02 2.92 1.01 -1.26 -0.61 120.40 126.03 1wck s VAL 175 Ca 0.15 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1wck s VAL 175 Cb -0.16 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1wck s VAL 175 CO 0.09 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 174.99 1wck s ILE 176 N 0.90 0.50 0.07 2.22 1.01 -0.34 -5.00 121.20 120.56 1wck s ILE 176 Ca -0.07 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1wck s ILE 176 Cb -0.15 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.83 1wck s ILE 176 CO -0.01 0.17 -0.10 0.00 0.00 0.00 0.00 174.94 175.00 1wck s GLN 177 N 0.21 0.70 0.06 2.79 -2.07 -1.26 -0.71 119.66 119.38 1wck s GLN 177 Ca -0.02 -0.96 -0.25 0.00 -1.82 0.00 0.00 55.36 52.30 1wck s GLN 177 Cb -0.07 -0.46 0.06 0.00 -1.09 0.00 0.00 33.01 31.46 1wck s GLN 177 CO -0.00 0.08 0.60 0.00 -1.32 0.00 0.00 175.29 174.65 1wck s ALA 178 N -1.85 -1.58 -0.09 2.60 0.00 -0.40 -4.85 121.76 115.59 1wck s ALA 178 Ca -0.02 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 1wck s ALA 178 Cb -0.07 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 1wck s ALA 178 CO 0.00 -0.57 -0.06 0.42 0.00 0.00 0.00 175.76 175.56 1wck s ILE 179 N -2.56 3.76 0.02 0.00 1.01 -1.26 -0.98 121.20 121.18 1wck s ILE 179 Ca -0.05 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1wck s ILE 179 Cb -0.01 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 1wck s ILE 179 CO -0.02 0.57 -0.04 0.28 0.00 0.00 0.00 174.94 175.73 1wck s THR 180 N -0.47 0.27 -0.25 2.92 -1.32 0.15 -4.97 115.64 111.97 1wck s THR 180 Ca 0.07 -0.59 -0.14 0.00 -1.21 0.00 0.00 61.69 59.83 1wck s THR 180 Cb -0.12 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.51 1wck s THR 180 CO 0.02 -0.21 0.32 -1.58 -2.21 0.00 0.00 174.62 170.96 1wck s GLN 181 N -0.85 4.05 -0.30 7.08 0.74 -1.26 -1.05 119.66 128.07 1wck s GLN 181 Ca -0.07 -0.03 -0.15 0.00 0.05 0.00 0.00 55.36 55.16 1wck s GLN 181 Cb -0.06 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 1wck s GLN 181 CO -0.00 -0.16 0.37 0.42 -0.55 0.00 0.00 175.29 175.36 1wck s ILE 182 N 1.71 5.17 -0.20 -2.34 -1.09 0.57 -4.93 121.20 120.09 1wck s ILE 182 Ca 0.13 0.35 0.06 0.00 -2.23 0.00 0.00 60.65 58.97 1wck s ILE 182 Cb -0.15 -3.75 -0.08 0.00 -1.58 0.00 0.00 42.46 36.90 1wck s ILE 182 CO 0.09 0.05 0.23 0.35 -1.23 0.00 0.00 174.94 174.42 1wck n THR 183 N 5.18 0.00 -4.46 2.92 -2.24 -1.26 -1.73 114.28 112.69 1wck n THR 183 Ca -0.09 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 1wck n THR 183 Cb 0.50 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 69.36 1wck n THR 183 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wck s THR 184 N -1.91 1.21 -0.00 4.28 -4.23 -1.26 -5.00 115.64 108.73 1wck s THR 184 Ca 0.01 -0.95 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1wck s THR 184 Cb 0.05 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.81 1wck s THR 184 CO 0.27 0.10 -0.08 0.42 -0.54 0.00 0.00 174.62 174.79 1wck s THR 185 N -0.74 0.64 0.44 3.99 -4.23 -1.26 -3.73 115.64 110.75 1wck s THR 185 Ca 0.03 -0.37 -0.23 0.00 -1.18 0.00 0.00 61.69 59.95 1wck s THR 185 Cb -0.08 -0.54 -0.08 0.00 1.34 0.00 0.00 72.50 73.14 1wck s THR 185 CO 0.01 0.16 1.08 -2.16 -0.54 0.00 0.00 174.62 173.17 1wck s PRO 186 N -0.23 3.94 -0.00 3.99 0.04 -1.26 -5.08 135.00 136.39 1wck s PRO 186 Ca 0.03 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.67 1wck s PRO 186 Cb -0.03 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1wck s PRO 186 CO -0.00 -0.34 -0.17 -1.12 0.04 0.00 0.00 177.00 175.41 1wck s SER 187 N -1.62 3.87 -0.14 6.66 0.01 -0.34 -4.97 113.70 117.18 1wck s SER 187 Ca 0.62 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 1wck s SER 187 Cb -0.22 -0.71 -0.03 0.00 0.21 0.00 0.00 66.02 65.27 1wck s SER 187 CO 0.28 0.30 0.01 -0.76 0.41 0.00 0.00 173.24 173.47 1wck s LEU 188 N -1.09 3.52 -0.12 2.44 1.43 -1.26 -0.57 118.68 123.03 1wck s LEU 188 Ca 0.13 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1wck s LEU 188 Cb -0.11 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1wck s LEU 188 CO 0.03 0.23 -0.17 -0.69 0.23 0.00 0.00 176.35 175.98 1wck s VAL 189 N -0.00 2.68 0.06 -1.59 1.01 0.26 -0.58 120.40 122.24 1wck s VAL 189 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1wck s VAL 189 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1wck s VAL 189 CO 0.02 0.54 -0.04 -1.61 0.00 0.00 0.00 175.10 174.00 1wck s GLU 190 N 0.38 0.62 -0.24 2.72 2.02 -0.56 -1.43 118.70 122.21 1wck s GLU 190 Ca -0.13 -1.11 -0.05 0.00 0.02 0.00 0.00 54.97 53.70 1wck s GLU 190 Cb -0.17 0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.09 1wck s GLU 190 CO 0.06 -0.06 0.01 0.08 0.02 0.00 0.00 175.26 175.37 1wck s VAL 191 N -3.20 3.71 -0.06 2.63 1.01 -1.26 -0.79 120.40 122.44 1wck s VAL 191 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1wck s VAL 191 Cb 0.03 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1wck s VAL 191 CO -0.06 0.34 -0.18 -0.63 0.00 0.00 0.00 175.10 174.56 1wck s ILE 192 N 1.51 2.66 0.15 2.22 -1.09 -0.03 -0.35 121.20 126.28 1wck s ILE 192 Ca 0.05 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.32 1wck s ILE 192 Cb -0.15 -2.02 -0.07 0.00 -1.58 0.00 0.00 42.46 38.63 1wck s ILE 192 CO -0.01 0.57 1.14 -0.69 -1.23 0.00 0.00 174.94 174.73 1wck s VAL 193 N -0.42 3.85 0.39 2.92 1.01 0.01 -1.22 120.40 126.94 1wck s VAL 193 Ca 0.05 1.53 0.08 0.00 0.00 0.00 0.00 61.98 63.63 1wck s VAL 193 Cb -0.12 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 1wck s VAL 193 CO 0.02 0.23 0.09 0.42 0.00 0.00 0.00 175.10 175.86 1wck s THR 194 N 0.06 2.39 0.00 3.92 -4.23 0.20 -1.13 115.64 116.84 1wck s THR 194 Ca 0.52 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1wck s THR 194 Cb -0.30 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1wck s THR 194 CO 0.34 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 1wck n GLY 195 N -1.09 0.16 0.21 3.99 0.00 -1.26 -1.45 105.19 105.74 1wck n GLY 195 Ca -0.03 -0.93 0.15 0.00 0.00 0.00 0.00 46.02 45.21 1wck n GLY 195 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wck n LEU 196 N 0.00 0.66 0.00 0.99 4.77 -1.26 -4.27 117.00 117.89 1wck n LEU 196 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1wck n LEU 196 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1wck n LEU 196 CO 0.00 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1wck n GLY 197 N 1.10 1.92 3.63 -0.72 0.00 -1.25 -4.40 105.19 105.46 1wck n GLY 197 Ca 0.21 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 1wck n GLY 197 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wck s LEU 198 N 0.00 -0.74 -0.06 0.99 2.96 -0.57 -1.43 118.68 119.83 1wck s LEU 198 Ca 0.00 1.41 0.04 0.00 -0.22 0.00 0.00 54.13 55.37 1wck s LEU 198 Cb 0.00 2.46 -0.02 0.00 0.50 0.00 0.00 46.19 49.13 1wck s LEU 198 CO 0.00 -0.26 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.15 1wck s SER 199 N 0.32 3.68 0.10 3.68 0.01 -1.26 -0.52 113.70 119.72 1wck s SER 199 Ca -0.00 -0.32 0.07 0.00 1.31 0.00 0.00 55.95 57.00 1wck s SER 199 Cb -0.05 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.27 1wck s SER 199 CO 0.01 0.30 -0.08 -0.76 0.41 0.00 0.00 173.24 173.12 1wck s LEU 200 N -0.44 3.14 0.70 2.44 1.43 0.16 -1.09 118.68 125.01 1wck s LEU 200 Ca 0.05 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1wck s LEU 200 Cb -0.12 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1wck s LEU 200 CO 0.02 0.18 1.10 0.00 0.23 0.00 0.00 176.35 177.88 1wck s ALA 201 N -1.24 2.38 0.93 4.21 0.00 0.53 -1.14 121.76 127.44 1wck s ALA 201 Ca 0.22 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 1wck s ALA 201 Cb -0.11 -3.30 0.15 0.00 0.00 0.00 0.00 23.12 19.86 1wck s ALA 201 CO 0.15 -1.48 1.11 -0.48 0.00 0.00 0.00 175.76 175.05 1wck s LEU 202 N -5.27 2.41 0.00 0.00 0.05 -1.26 -3.98 118.68 110.62 1wck s LEU 202 Ca 0.65 1.88 0.00 0.00 0.05 0.00 0.00 54.13 56.71 1wck s LEU 202 Cb -0.19 -4.24 0.00 0.00 -2.05 0.00 0.00 46.19 39.71 1wck s LEU 202 CO 0.47 -3.04 0.00 0.61 -0.55 0.00 0.00 176.35 173.84 1wck n GLY 203 N -0.17 0.62 3.49 -3.48 0.00 0.49 -4.65 105.19 101.50 1wck n GLY 203 Ca 0.09 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1wck n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wck s THR 204 N 0.00 4.19 0.19 2.61 2.01 -1.26 -1.61 115.64 121.76 1wck s THR 204 Ca 0.00 -0.04 0.11 0.00 0.31 0.00 0.00 61.69 62.07 1wck s THR 204 Cb 0.00 -4.71 -0.04 0.00 0.01 0.00 0.00 72.50 67.75 1wck s THR 204 CO 0.00 -1.49 1.53 0.77 -0.69 0.00 0.00 174.62 174.75 1wck h SER 205 N 9.63 0.00 -4.58 3.53 4.64 -1.32 -3.42 113.55 122.04 1wck h SER 205 Ca -0.28 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 1wck h SER 205 Cb 1.07 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.97 1wck h SER 205 CO 1.19 0.67 0.42 0.00 -0.87 0.00 0.00 176.83 178.23 1wck s ALA 206 N -3.33 -1.83 0.05 5.18 0.00 -1.25 -0.73 121.76 119.85 1wck s ALA 206 Ca -0.00 1.22 -0.00 0.00 0.00 0.00 0.00 51.96 53.18 1wck s ALA 206 Cb 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1wck s ALA 206 CO 0.76 -0.50 -0.04 -1.54 0.00 0.00 0.00 175.76 174.45 1wck s SER 207 N -1.76 0.56 -0.04 0.00 1.04 0.34 -1.02 113.70 112.82 1wck s SER 207 Ca -0.01 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.52 1wck s SER 207 Cb -0.01 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1wck s SER 207 CO -0.02 -0.49 0.10 -0.51 0.98 0.00 0.00 173.24 173.30 1wck s ILE 208 N -3.18 -0.01 -0.10 -1.02 2.07 -0.18 -1.47 121.20 117.31 1wck s ILE 208 Ca 0.02 0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.32 1wck s ILE 208 Cb 0.03 -0.15 0.00 0.00 0.13 0.00 0.00 42.46 42.47 1wck s ILE 208 CO -0.07 0.01 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.13 1wck s ILE 209 N 0.22 1.92 -0.11 2.00 1.01 -0.43 -1.34 121.20 124.46 1wck s ILE 209 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.73 1wck s ILE 209 Cb -0.02 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 1wck s ILE 209 CO -0.01 0.53 -0.21 -0.63 0.00 0.00 0.00 174.94 174.62 1wck s ILE 210 N 0.41 2.26 -0.02 2.92 1.01 -0.30 -1.34 121.20 126.14 1wck s ILE 210 Ca -0.18 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1wck s ILE 210 Cb -0.18 -1.89 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 1wck s ILE 210 CO 0.08 0.55 -0.11 -1.61 0.00 0.00 0.00 174.94 173.85 1wck s GLU 211 N 0.43 1.07 -0.31 2.79 2.02 -0.07 -0.72 118.70 123.92 1wck s GLU 211 Ca -0.15 -0.38 -0.26 0.00 0.02 0.00 0.00 54.97 54.20 1wck s GLU 211 Cb -0.17 -1.00 0.01 0.00 0.10 0.00 0.00 34.13 33.07 1wck s GLU 211 CO 0.06 0.17 0.91 0.21 0.02 0.00 0.00 175.26 176.63 1wck s LYS 212 N 0.05 4.01 -0.02 1.61 2.20 -0.37 -0.81 119.74 126.42 1wck s LYS 212 Ca -0.01 0.81 0.17 0.00 -0.36 0.00 0.00 55.97 56.57 1wck s LYS 212 Cb -0.08 -3.73 -0.24 0.00 -1.51 0.00 0.00 37.83 32.27 1wck s LYS 212 CO 0.00 -0.76 0.45 1.33 -0.36 0.00 0.00 175.35 176.01 1wck n VAL 213 N 5.65 0.00 -3.64 4.02 0.24 0.11 -3.97 118.33 120.74 1wck n VAL 213 Ca 0.07 -0.32 -0.15 0.00 -2.04 0.00 0.00 64.34 61.91 1wck n VAL 213 Cb 0.48 0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 33.11 1wck n VAL 213 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wck s ALA 214 N -3.01 -1.44 -2.00 2.33 0.00 -1.06 -4.97 121.76 111.61 1wck s ALA 214 Ca -0.03 1.30 0.29 0.00 0.00 0.00 0.00 51.96 53.52 1wck s ALA 214 Cb 0.11 -0.44 1.76 0.00 0.00 0.00 0.00 23.12 24.55 1wck s ALA 214 CO 0.69 -0.31 2.09 0.72 0.00 0.00 0.00 175.76 178.96