#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgq s SER 17 N 0.00 1.80 0.18 9.51 1.04 -1.26 -2.43 113.70 122.53 1sgq s SER 17 Ca 0.00 -1.72 -0.33 0.00 0.48 0.00 0.00 55.95 54.38 1sgq s SER 17 Cb 0.00 0.54 -0.13 0.00 0.10 0.00 0.00 66.02 66.53 1sgq s SER 17 CO 0.00 -1.02 1.67 0.61 0.98 0.00 0.00 173.24 175.48 1sgq n GLY 18 N -0.66 1.37 0.00 7.32 0.00 -0.53 -1.67 105.19 111.03 1sgq n GLY 18 Ca 0.04 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1sgq n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgq n GLY 19 N 3.77 1.85 3.81 -0.02 0.00 -0.53 -2.09 105.19 111.98 1sgq n GLY 19 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1sgq n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sgq s ASP 29 N -1.58 5.96 0.46 1.61 1.01 -0.67 -2.39 116.67 121.07 1sgq s ASP 29 Ca 0.00 1.79 -0.24 0.00 0.71 0.00 0.00 52.55 54.80 1sgq s ASP 29 Cb 0.00 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.33 1sgq s ASP 29 CO 0.00 -1.05 1.34 0.00 0.21 0.00 0.00 175.17 175.67 1sgq s ALA 30 N -2.45 3.10 0.02 5.23 0.00 -1.26 -0.37 121.76 126.03 1sgq s ALA 30 Ca 0.63 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.92 1sgq s ALA 30 Cb -0.15 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1sgq s ALA 30 CO 0.35 -1.06 -0.10 0.96 0.00 0.00 0.00 175.76 175.90 1sgq s ILE 31 N -1.29 0.81 -0.04 0.00 -4.36 -0.75 -4.76 121.20 110.80 1sgq s ILE 31 Ca 0.63 -0.75 0.03 0.00 -0.26 0.00 0.00 60.65 60.30 1sgq s ILE 31 Cb -0.39 -0.74 0.01 0.00 1.25 0.00 0.00 42.46 42.59 1sgq s ILE 31 CO 0.49 0.00 -0.11 -0.31 0.24 0.00 0.00 174.94 175.25 1sgq s TYR 32 N -0.69 1.18 0.00 1.37 1.51 -0.39 -0.50 117.35 119.84 1sgq s TYR 32 Ca -0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1sgq s TYR 32 Cb -0.06 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1sgq s TYR 32 CO 0.00 -0.16 0.00 -1.13 -1.11 0.00 0.00 175.55 173.15 1sgq n SER 33 N 3.46 1.41 0.06 2.29 3.41 -0.78 0.16 113.62 123.62 1sgq n SER 33 Ca -0.20 -0.37 -0.03 0.00 -0.26 0.00 0.00 58.87 58.01 1sgq n SER 33 Cb 0.53 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.70 1sgq n SER 33 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sgq h SER 34 N 0.00 0.37 0.00 4.04 0.02 -1.94 -3.29 113.55 112.75 1sgq h SER 34 Ca 0.00 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1sgq h SER 34 Cb 0.00 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1sgq h SER 34 CO 0.00 0.68 -1.96 0.35 -1.14 0.00 0.00 176.83 174.76 1sgq n THR 39 N -4.09 0.12 -2.69 -2.27 -2.24 -1.26 -5.10 114.28 96.76 1sgq n THR 39 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1sgq n THR 39 Cb 0.43 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1sgq n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgq n GLY 40 N 1.40 1.24 3.15 3.38 0.00 -1.24 -5.15 105.19 107.97 1sgq n GLY 40 Ca -0.06 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1sgq n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sgq s ARG 41 N 1.09 1.73 0.00 1.61 3.52 -1.26 -1.87 118.95 123.77 1sgq s ARG 41 Ca 0.00 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 1sgq s ARG 41 Cb 0.00 -1.54 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 1sgq s ARG 41 CO 0.00 0.30 0.00 0.00 -0.81 0.00 0.00 175.30 174.79 1sgq s SER 43 N 0.26 2.38 0.28 0.00 0.01 0.10 -1.82 113.70 114.92 1sgq s SER 43 Ca 0.00 -0.67 -0.29 0.00 1.31 0.00 0.00 55.95 56.30 1sgq s SER 43 Cb 0.00 -0.12 -0.10 0.00 0.21 0.00 0.00 66.02 66.01 1sgq s SER 43 CO 0.00 0.04 1.19 -0.22 0.41 0.00 0.00 173.24 174.66 1sgq s LEU 44 N -1.87 4.49 0.00 2.44 0.20 0.50 -3.80 118.68 120.64 1sgq s LEU 44 Ca 0.05 2.42 0.00 0.00 0.69 0.00 0.00 54.13 57.29 1sgq s LEU 44 Cb -0.10 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.03 1sgq s LEU 44 CO 0.04 -0.32 0.00 0.61 -0.29 0.00 0.00 176.35 176.39 1sgq n GLY 45 N 1.21 -0.13 2.98 7.98 0.00 0.38 -1.46 105.19 116.15 1sgq n GLY 45 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1sgq n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgq s PHE 46 N -0.67 0.36 0.07 1.61 0.08 -1.15 -3.84 117.98 114.44 1sgq s PHE 46 Ca 0.00 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 1sgq s PHE 46 Cb 0.00 -0.23 -0.05 0.00 -0.57 0.00 0.00 43.02 42.17 1sgq s PHE 46 CO 0.00 -0.11 0.96 -0.80 -0.10 0.00 0.00 175.22 175.17 1sgq s ASN 47 N -1.14 7.45 0.11 1.36 0.01 -1.26 -1.15 114.94 120.31 1sgq s ASN 47 Ca -0.10 1.74 -0.01 0.00 -0.71 0.00 0.00 52.86 53.78 1sgq s ASN 47 Cb -0.08 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 1sgq s ASN 47 CO -0.00 -0.13 0.03 0.68 -1.51 0.00 0.00 177.10 176.17 1sgq s VAL 48 N 0.33 0.14 0.16 1.60 -7.23 -0.12 -4.29 120.40 110.99 1sgq s VAL 48 Ca 0.48 -1.89 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 1sgq s VAL 48 Cb -0.22 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 1sgq s VAL 48 CO 0.29 -0.60 0.31 0.00 -0.31 0.00 0.00 175.10 174.79 1sgq s ARG 48 N -4.01 1.14 -0.07 4.82 1.70 0.33 -1.27 118.95 121.59 1sgq s ARG 48 Ca 0.20 -1.09 -0.02 0.00 -0.47 0.00 0.00 55.73 54.35 1sgq s ARG 48 Cb 0.08 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1sgq s ARG 48 CO -0.01 -0.42 0.05 0.45 -1.08 0.00 0.00 175.30 174.29 1sgq s SER 48 N -2.94 1.43 1.83 -2.89 0.15 0.18 -1.49 113.70 109.98 1sgq s SER 48 Ca 0.14 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1sgq s SER 48 Cb 0.03 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1sgq s SER 48 CO -0.02 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1sgq n GLY 48 N 5.26 3.47 1.32 9.45 0.00 -1.26 1.00 105.19 124.43 1sgq n GLY 48 Ca -0.04 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1sgq n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sgq n SER 48 N 6.83 3.84 -4.60 1.61 3.41 -1.26 -4.88 113.62 118.57 1sgq n SER 48 Ca 0.00 -2.00 -0.36 0.00 -0.26 0.00 0.00 58.87 56.25 1sgq n SER 48 Cb 0.00 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.41 1sgq n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sgq s THR 49 N -1.13 5.00 -0.02 6.66 2.01 0.28 -5.05 115.64 123.38 1sgq s THR 49 Ca 0.47 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.35 1sgq s THR 49 Cb 0.25 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1sgq s THR 49 CO 0.33 0.36 0.48 -0.31 -0.69 0.00 0.00 174.62 174.79 1sgq s TYR 50 N 1.11 3.67 0.22 4.92 2.02 -1.26 0.48 117.35 128.51 1sgq s TYR 50 Ca 0.06 1.04 -0.05 0.00 -0.37 0.00 0.00 57.07 57.75 1sgq s TYR 50 Cb -0.14 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 1sgq s TYR 50 CO 0.04 0.45 0.25 0.71 -1.57 0.00 0.00 175.55 175.44 1sgq s TYR 51 N -0.46 0.91 0.02 2.71 1.51 -0.40 -1.59 117.35 120.05 1sgq s TYR 51 Ca 0.26 -1.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.18 1sgq s TYR 51 Cb -0.17 -0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1sgq s TYR 51 CO 0.14 -0.77 -0.09 -0.59 -1.11 0.00 0.00 175.55 173.12 1sgq s PHE 52 N -4.08 0.82 0.09 2.71 -0.12 -0.55 -0.95 117.98 115.90 1sgq s PHE 52 Ca 0.33 -0.26 -0.02 0.00 -0.05 0.00 0.00 56.93 56.93 1sgq s PHE 52 Cb 0.04 -0.51 -0.05 0.00 -0.63 0.00 0.00 43.02 41.88 1sgq s PHE 52 CO 0.12 -0.01 0.28 -0.51 -0.05 0.00 0.00 175.22 175.04 1sgq s LEU 53 N -0.72 4.32 0.00 -1.99 1.43 -0.30 -0.81 118.68 120.61 1sgq s LEU 53 Ca -0.00 0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1sgq s LEU 53 Cb -0.06 -3.11 0.01 0.00 0.03 0.00 0.00 46.19 43.07 1sgq s LEU 53 CO 0.00 0.12 0.21 1.07 0.23 0.00 0.00 176.35 177.99 1sgq n THR 54 N 0.21 0.00 -2.20 5.49 5.66 -0.97 0.14 114.28 122.61 1sgq n THR 54 Ca -0.04 -0.53 -0.38 0.00 -3.05 0.00 0.00 64.05 60.05 1sgq n THR 54 Cb 0.51 0.37 -0.01 0.00 -1.55 0.00 0.00 70.33 69.66 1sgq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sgq s ALA 55 N -1.76 3.15 0.25 1.79 0.00 -1.26 -1.43 121.76 122.49 1sgq s ALA 55 Ca 0.09 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1sgq s ALA 55 Cb -0.01 -3.42 0.29 0.00 0.00 0.00 0.00 23.12 19.99 1sgq s ALA 55 CO 0.06 -0.66 1.77 0.78 0.00 0.00 0.00 175.76 177.72 1sgq h GLY 56 N 2.55 0.98 2.00 0.00 0.00 -1.58 -1.84 103.07 105.18 1sgq h GLY 56 Ca -0.49 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.23 1sgq h GLY 56 CO 0.62 0.57 -0.01 1.12 0.00 0.00 0.00 176.54 178.84 1sgq h HIS 57 N 0.87 0.00 0.11 5.60 2.07 -1.86 -0.58 115.15 121.35 1sgq h HIS 57 Ca 0.18 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.38 1sgq h HIS 57 Cb 0.37 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.34 1sgq h HIS 57 CO 0.02 0.01 -1.69 0.00 -3.07 0.00 0.00 177.93 173.20 1sgq h THR 59 N 0.06 0.31 -2.49 0.00 1.35 -0.91 -3.41 112.91 107.83 1sgq h THR 59 Ca -0.30 -1.18 -0.53 0.00 -0.55 0.00 0.00 66.41 63.84 1sgq h THR 59 Cb 2.03 1.93 0.02 0.00 -1.73 0.00 0.00 68.15 70.40 1sgq h THR 59 CO 0.13 0.15 1.15 -0.62 -0.25 0.00 0.00 175.52 176.09 1sgq s ASP 60 N -6.15 6.50 -1.62 5.36 2.15 -0.27 -1.22 116.67 121.42 1sgq s ASP 60 Ca 0.04 2.59 0.00 0.00 0.43 0.00 0.00 52.55 55.60 1sgq s ASP 60 Cb 0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1sgq s ASP 60 CO 0.65 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 1sgq n GLY 62 N 4.34 1.34 3.53 2.66 0.00 -1.26 -5.00 105.19 110.79 1sgq n GLY 62 Ca 0.18 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1sgq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgq s ALA 63 N -2.61 2.81 0.03 4.61 0.00 -0.36 -4.97 121.76 121.27 1sgq s ALA 63 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 1sgq s ALA 63 Cb 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1sgq s ALA 63 CO 0.00 0.60 -0.07 0.25 0.00 0.00 0.00 175.76 176.54 1sgq n THR 64 N 0.67 1.10 -4.13 0.00 -2.24 -1.26 -4.58 114.28 103.84 1sgq n THR 64 Ca -0.14 0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.58 1sgq n THR 64 Cb 0.53 -1.70 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 1sgq n THR 64 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sgq s THR 65 N -2.16 4.62 0.00 4.28 2.01 -1.26 -0.52 115.64 122.61 1sgq s THR 65 Ca -0.06 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.58 1sgq s THR 65 Cb 0.01 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 1sgq s THR 65 CO 0.08 0.36 -0.26 0.26 -0.69 0.00 0.00 174.62 174.38 1sgq s TRP 66 N -1.17 2.28 0.24 4.92 0.52 -0.03 -4.19 118.94 121.51 1sgq s TRP 66 Ca 0.22 -0.42 0.10 0.00 0.02 0.00 0.00 56.10 56.02 1sgq s TRP 66 Cb -0.12 -1.43 -0.05 0.00 -1.15 0.00 0.00 33.47 30.72 1sgq s TRP 66 CO 0.13 0.02 -0.19 -1.58 0.02 0.00 0.00 176.95 175.35 1sgq s TRP 67 N -0.67 2.09 -0.75 -1.98 0.51 0.12 -0.26 118.94 118.00 1sgq s TRP 67 Ca 0.10 -0.41 0.26 0.00 -2.12 0.00 0.00 56.10 53.93 1sgq s TRP 67 Cb -0.10 -0.95 0.71 0.00 -0.81 0.00 0.00 33.47 32.33 1sgq s TRP 67 CO 0.00 0.56 1.64 0.00 -0.51 0.00 0.00 176.95 178.65 1sgq n ALA 68 N -0.37 2.54 -2.36 0.98 0.00 0.84 -1.26 120.51 120.88 1sgq n ALA 68 Ca -0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.16 1sgq n ALA 68 Cb 0.59 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.59 1sgq n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sgq s ASN 78 N -4.18 0.22 0.37 0.00 4.22 -1.26 -4.80 114.94 109.52 1sgq s ASN 78 Ca 0.10 -1.04 0.06 0.00 -2.14 0.00 0.00 52.86 49.84 1sgq s ASN 78 Cb 0.14 0.34 0.76 0.00 1.28 0.00 0.00 41.25 43.77 1sgq s ASN 78 CO 0.63 -0.77 1.98 0.77 -2.04 0.00 0.00 177.10 177.67 1sgq h SER 79 N 2.77 0.62 0.48 3.54 4.64 -1.99 0.70 113.55 124.32 1sgq h SER 79 Ca -0.34 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1sgq h SER 79 Cb 1.20 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1sgq h SER 79 CO 0.56 0.42 0.00 0.00 -0.87 0.00 0.00 176.83 176.93 1sgq n ALA 80 N -2.46 1.72 -3.38 5.18 0.00 -1.26 -4.85 120.51 115.46 1sgq n ALA 80 Ca 0.09 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 1sgq n ALA 80 Cb 0.19 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.46 1sgq n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sgq n ARG 81 N -1.46 -6.80 -0.07 0.00 3.00 0.24 -4.91 116.66 106.65 1sgq n ARG 81 Ca 0.04 0.83 -0.05 0.00 -0.01 0.00 0.00 57.85 58.66 1sgq n ARG 81 Cb 0.17 -5.76 -0.16 0.00 0.00 0.00 0.00 32.46 26.71 1sgq n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1sgq n THR 82 N -4.80 1.12 -3.65 0.55 -2.24 -1.26 -4.81 114.28 99.18 1sgq n THR 82 Ca -0.03 -0.77 -0.39 0.00 -2.27 0.00 0.00 64.05 60.59 1sgq n THR 82 Cb 0.58 -0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 1sgq n THR 82 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sgq s THR 83 N -2.73 4.49 0.40 4.28 2.01 -1.26 -5.05 115.64 117.78 1sgq s THR 83 Ca -0.09 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 1sgq s THR 83 Cb 0.08 -3.37 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 1sgq s THR 83 CO 0.84 -0.03 0.95 -0.69 -0.69 0.00 0.00 174.62 175.00 1sgq s VAL 84 N 1.57 4.34 -0.07 3.82 1.01 -1.26 -0.11 120.40 129.70 1sgq s VAL 84 Ca 0.03 1.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 1sgq s VAL 84 Cb -0.18 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1sgq s VAL 84 CO 0.06 -0.18 -0.10 0.18 0.00 0.00 0.00 175.10 175.05 1sgq n LEU 85 N -0.27 0.67 0.00 3.92 4.77 0.64 -4.61 117.00 122.12 1sgq n LEU 85 Ca 0.05 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1sgq n LEU 85 Cb 0.53 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1sgq n LEU 85 CO 0.39 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1sgq n GLY 86 N 2.54 -0.82 3.27 -0.72 0.00 -1.10 -1.15 105.19 107.22 1sgq n GLY 86 Ca -0.15 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 1sgq n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sgq s THR 87 N -3.00 1.60 0.22 2.61 -4.23 -0.76 -0.85 115.64 111.23 1sgq s THR 87 Ca 0.00 -1.59 -0.32 0.00 -1.18 0.00 0.00 61.69 58.60 1sgq s THR 87 Cb 0.00 -1.53 -0.13 0.00 1.34 0.00 0.00 72.50 72.18 1sgq s THR 87 CO 0.00 -0.17 1.63 0.41 -0.54 0.00 0.00 174.62 175.95 1sgq n THR 88 N 0.91 0.30 -0.02 3.99 -1.04 0.32 -0.10 114.28 118.64 1sgq n THR 88 Ca -0.18 -0.08 0.02 0.00 -2.04 0.00 0.00 64.05 61.78 1sgq n THR 88 Cb 0.55 -1.82 -0.10 0.00 -1.82 0.00 0.00 70.33 67.13 1sgq n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sgq n SER 89 N 3.29 1.98 -3.52 8.00 7.64 -0.35 -4.82 113.62 125.84 1sgq n SER 89 Ca 0.14 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.92 1sgq n SER 89 Cb 0.33 1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 64.84 1sgq n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sgq s GLY 90 N -3.85 -0.44 -0.22 0.23 0.00 -1.03 -4.96 107.32 97.05 1sgq s GLY 90 Ca -0.05 1.28 -0.13 0.00 0.00 0.00 0.00 44.72 45.82 1sgq s GLY 90 CO 0.53 0.58 0.55 -0.45 0.00 0.00 0.00 173.10 174.31 1sgq s SER 91 N -1.98 -0.72 -0.32 1.64 0.15 -1.26 -0.55 113.70 110.66 1sgq s SER 91 Ca 0.01 1.19 -0.01 0.00 0.70 0.00 0.00 55.95 57.84 1sgq s SER 91 Cb -0.01 1.08 0.11 0.00 -1.71 0.00 0.00 66.02 65.49 1sgq s SER 91 CO -0.04 -0.21 0.13 -0.55 1.20 0.00 0.00 173.24 173.76 1sgq s SER 93 N 1.43 3.79 -0.28 5.45 0.15 0.42 -4.99 113.70 119.67 1sgq s SER 93 Ca -0.09 -1.70 -0.24 0.00 0.70 0.00 0.00 55.95 54.62 1sgq s SER 93 Cb -0.07 -0.72 0.12 0.00 -1.71 0.00 0.00 66.02 63.65 1sgq s SER 93 CO -0.15 -0.40 0.99 0.12 1.20 0.00 0.00 173.24 175.01 1sgq s PHE 94 N 1.56 -0.52 0.00 3.44 5.36 -1.26 -1.75 117.98 124.82 1sgq s PHE 94 Ca 0.11 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 1sgq s PHE 94 Cb -0.18 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 1sgq s PHE 94 CO -0.23 -0.25 0.00 -0.35 -1.46 0.00 0.00 175.22 172.93 1sgq n PRO 99 N 2.35 0.57 0.00 10.12 -0.04 -1.26 -4.95 135.00 141.79 1sgq n PRO 99 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1sgq n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1sgq n PRO 99 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sgq n ASN 100 N -0.86 0.00 -2.68 3.54 3.02 0.67 -4.75 115.26 114.21 1sgq n ASN 100 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1sgq n ASN 100 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1sgq n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sgq n ASN 101 N 3.79 1.60 -2.94 6.41 3.02 -1.26 -1.23 115.26 124.65 1sgq n ASN 101 Ca 0.00 -1.48 -0.14 0.00 -0.03 0.00 0.00 54.58 52.93 1sgq n ASN 101 Cb 0.00 0.01 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1sgq n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1sgq n ASP 102 N -1.79 -1.69 -3.88 6.41 -0.08 -1.07 -4.04 116.55 110.41 1sgq n ASP 102 Ca -0.01 -3.03 -0.10 0.00 -1.51 0.00 0.00 54.79 50.14 1sgq n ASP 102 Cb 0.15 0.82 -0.09 0.00 2.34 0.00 0.00 41.12 44.34 1sgq n ASP 102 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 1sgq s TYR 103 N -0.02 0.09 0.18 -0.67 -0.85 -0.72 -3.47 117.35 111.89 1sgq s TYR 103 Ca 0.33 -0.30 -0.14 0.00 -0.52 0.00 0.00 57.07 56.43 1sgq s TYR 103 Cb 0.19 -0.07 0.01 0.00 0.38 0.00 0.00 41.96 42.48 1sgq s TYR 103 CO -0.19 -0.38 0.42 0.20 -1.52 0.00 0.00 175.55 174.09 1sgq s GLY 104 N -1.93 0.11 0.01 5.49 0.00 -0.52 -0.43 107.32 110.05 1sgq s GLY 104 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1sgq s GLY 104 CO -0.03 -0.49 -0.02 -1.50 0.00 0.00 0.00 173.10 171.07 1sgq s ILE 105 N -3.91 0.09 -0.10 0.90 2.07 0.29 -2.29 121.20 118.27 1sgq s ILE 105 Ca 0.12 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.89 1sgq s ILE 105 Cb 0.01 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.43 1sgq s ILE 105 CO -0.02 -0.26 -0.21 -0.69 -1.91 0.00 0.00 174.94 171.85 1sgq s VAL 106 N -0.78 1.83 -0.01 4.00 1.01 0.01 -1.21 120.40 125.25 1sgq s VAL 106 Ca -0.08 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 1sgq s VAL 106 Cb -0.05 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1sgq s VAL 106 CO -0.00 0.51 0.64 -0.60 0.00 0.00 0.00 175.10 175.64 1sgq s ARG 107 N 0.48 4.37 0.14 2.72 3.52 0.86 -1.49 118.95 129.54 1sgq s ARG 107 Ca -0.17 0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 1sgq s ARG 107 Cb -0.17 -3.37 -0.08 0.00 -1.56 0.00 0.00 34.95 29.77 1sgq s ARG 107 CO 0.07 0.29 1.26 0.71 -0.81 0.00 0.00 175.30 176.82 1sgq s TYR 108 N 0.05 3.36 0.00 5.12 2.02 -0.62 -1.83 117.35 125.44 1sgq s TYR 108 Ca 0.33 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 58.28 1sgq s TYR 108 Cb -0.18 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 37.86 1sgq s TYR 108 CO 0.18 -1.61 0.40 0.25 -1.57 0.00 0.00 175.55 173.20 1sgq n THR 109 N 3.22 0.00 -3.62 -0.71 -2.24 -0.30 -4.89 114.28 105.73 1sgq n THR 109 Ca 0.07 -0.47 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 1sgq n THR 109 Cb 0.44 1.06 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 1sgq n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sgq s ASN 110 N -0.12 6.00 0.15 3.42 3.04 -1.03 -4.96 114.94 121.44 1sgq s ASN 110 Ca 0.00 0.01 0.06 0.00 0.04 0.00 0.00 52.86 52.97 1sgq s ASN 110 Cb 0.00 -2.10 -0.07 0.00 -1.54 0.00 0.00 41.25 37.53 1sgq s ASN 110 CO 0.00 -0.01 1.35 0.71 -3.04 0.00 0.00 177.10 176.10 1sgq h THR 111 N 5.28 1.61 0.00 -5.21 1.35 -1.93 -3.36 112.91 110.64 1sgq h THR 111 Ca -0.36 -3.00 -0.06 0.00 -0.55 0.00 0.00 66.41 62.44 1sgq h THR 111 Cb 1.18 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 70.24 1sgq h THR 111 CO 0.58 0.86 -2.04 0.35 -0.25 0.00 0.00 175.52 175.02 1sgq n THR 112 N -3.51 0.25 -1.90 6.82 -2.24 -1.26 -4.93 114.28 107.51 1sgq n THR 112 Ca -0.02 -0.56 -0.41 0.00 -2.27 0.00 0.00 64.05 60.79 1sgq n THR 112 Cb 0.86 -0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 1sgq n THR 112 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1sgq s ILE 113 N -3.34 2.35 0.22 2.28 2.07 -1.26 -4.93 121.20 118.59 1sgq s ILE 113 Ca -0.08 0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 59.16 1sgq s ILE 113 Cb 0.13 -3.19 -0.10 0.00 0.13 0.00 0.00 42.46 39.42 1sgq s ILE 113 CO 0.89 0.05 1.47 -2.16 -1.91 0.00 0.00 174.94 173.29 1sgq s PRO 114 N -0.61 4.25 -0.87 3.50 0.04 -1.26 -4.91 135.00 135.14 1sgq s PRO 114 Ca 0.60 2.31 -0.00 0.00 0.04 0.00 0.00 61.00 63.95 1sgq s PRO 114 Cb -0.45 -3.13 0.23 0.00 0.04 0.00 0.00 34.50 31.20 1sgq s PRO 114 CO 0.47 -0.47 0.84 1.63 0.04 0.00 0.00 177.00 179.51 1sgq n LYS 115 N 2.85 2.78 -2.31 4.56 5.02 -1.26 0.23 118.16 130.03 1sgq n LYS 115 Ca 0.09 -4.52 -0.41 0.00 -2.02 0.00 0.00 58.31 51.45 1sgq n LYS 115 Cb 0.40 -2.39 -0.03 0.00 -0.02 0.00 0.00 35.03 32.99 1sgq n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sgq s ASP 116 N -0.83 7.02 -0.08 4.39 1.01 -1.02 -4.89 116.67 122.28 1sgq s ASP 116 Ca 0.30 2.41 -0.05 0.00 0.71 0.00 0.00 52.55 55.91 1sgq s ASP 116 Cb -0.02 -2.63 -0.18 0.00 1.01 0.00 0.00 42.92 41.10 1sgq s ASP 116 CO -0.09 -0.37 3.32 0.61 0.21 0.00 0.00 175.17 178.85 1sgq n GLY 117 N 1.50 3.19 3.33 0.21 0.00 -1.26 -4.61 105.19 107.55 1sgq n GLY 117 Ca 0.02 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 1sgq n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sgq n THR 118 N 2.11 0.00 -3.94 2.61 -2.24 -1.26 -2.83 114.28 108.73 1sgq n THR 118 Ca 0.40 -2.47 -0.31 0.00 -2.27 0.00 0.00 64.05 59.40 1sgq n THR 118 Cb 0.82 1.12 -0.15 0.00 -2.10 0.00 0.00 70.33 70.01 1sgq n THR 118 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1sgq s VAL 119 N -3.29 1.87 0.00 2.28 1.01 0.01 -1.45 120.40 120.83 1sgq s VAL 119 Ca 0.34 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1sgq s VAL 119 Cb 0.02 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1sgq s VAL 119 CO 0.24 -0.60 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1sgq n GLY 120 N 4.43 2.27 0.12 4.51 0.00 -0.89 -1.01 105.19 114.63 1sgq n GLY 120 Ca 0.02 -0.52 0.15 0.00 0.00 0.00 0.00 46.02 45.67 1sgq n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgq n GLY 121 N 0.00 -0.88 3.69 -0.02 0.00 -1.26 -4.82 105.19 101.91 1sgq n GLY 121 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1sgq n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sgq s GLN 122 N -2.30 4.31 0.43 1.61 2.00 -0.18 -5.01 119.66 120.52 1sgq s GLN 122 Ca 0.35 1.92 -0.16 0.00 -2.00 0.00 0.00 55.36 55.47 1sgq s GLN 122 Cb 0.21 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 30.41 1sgq s GLN 122 CO 0.43 -0.52 0.88 0.34 -0.50 0.00 0.00 175.29 175.92 1sgq s ASP 123 N 1.67 6.73 -0.08 6.67 2.15 -1.26 -0.81 116.67 131.74 1sgq s ASP 123 Ca 0.62 1.46 0.02 0.00 0.43 0.00 0.00 52.55 55.09 1sgq s ASP 123 Cb -0.31 -2.45 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 1sgq s ASP 123 CO 0.27 -0.41 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.08 1sgq s ILE 124 N -2.31 1.35 0.00 4.11 -1.09 -1.13 -4.35 121.20 117.78 1sgq s ILE 124 Ca 0.57 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1sgq s ILE 124 Cb -0.10 -1.22 0.00 0.00 -1.58 0.00 0.00 42.46 39.56 1sgq s ILE 124 CO 0.23 0.41 0.28 0.35 -1.23 0.00 0.00 174.94 174.97 1sgq n THR 125 N 3.87 0.00 -3.81 2.92 -2.24 0.17 -4.63 114.28 110.55 1sgq n THR 125 Ca -0.21 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 61.11 1sgq n THR 125 Cb 0.52 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1sgq n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sgq s SER 126 N -0.29 -0.08 0.21 3.42 1.04 -1.11 -4.90 113.70 111.99 1sgq s SER 126 Ca 0.00 -0.56 0.11 0.00 0.48 0.00 0.00 55.95 55.98 1sgq s SER 126 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1sgq s SER 126 CO 0.00 -0.97 -0.19 0.00 0.98 0.00 0.00 173.24 173.06 1sgq s ALA 127 N -2.70 2.70 0.21 5.32 0.00 -1.26 0.39 121.76 126.41 1sgq s ALA 127 Ca 0.17 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1sgq s ALA 127 Cb -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.71 1sgq s ALA 127 CO 0.04 0.40 0.58 0.00 0.00 0.00 0.00 175.76 176.77 1sgq s ALA 128 N -1.88 -1.07 0.11 0.00 0.00 -0.74 -4.81 121.76 113.37 1sgq s ALA 128 Ca 0.24 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.89 1sgq s ALA 128 Cb -0.07 0.87 -0.07 0.00 0.00 0.00 0.00 23.12 23.85 1sgq s ALA 128 CO 0.12 -0.85 0.52 -0.80 0.00 0.00 0.00 175.76 174.75 1sgq s ASN 129 N -2.87 6.85 0.56 0.00 0.01 -1.26 -4.56 114.94 113.68 1sgq s ASN 129 Ca 0.09 1.07 -0.19 0.00 -0.71 0.00 0.00 52.86 53.12 1sgq s ASN 129 Cb -0.02 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1sgq s ASN 129 CO -0.02 0.17 1.13 0.00 -1.51 0.00 0.00 177.10 176.87 1sgq s ALA 130 N -1.34 2.65 0.04 0.60 0.00 -1.26 -5.06 121.76 117.39 1sgq s ALA 130 Ca 0.34 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1sgq s ALA 130 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1sgq s ALA 130 CO 0.18 -0.87 -0.06 0.95 0.00 0.00 0.00 175.76 175.96 1sgq s THR 131 N -1.84 0.41 0.23 0.00 -4.23 -1.26 -5.07 115.64 103.87 1sgq s THR 131 Ca 0.72 -1.19 -0.32 0.00 -1.18 0.00 0.00 61.69 59.73 1sgq s THR 131 Cb -0.24 -0.70 -0.12 0.00 1.34 0.00 0.00 72.50 72.78 1sgq s THR 131 CO 0.29 -0.52 1.70 0.52 -0.54 0.00 0.00 174.62 176.07 1sgq n VAL 132 N 1.22 0.25 -0.55 2.29 0.31 -1.26 -1.62 118.33 118.97 1sgq n VAL 132 Ca -0.21 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1sgq n VAL 132 Cb 0.56 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 1sgq n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sgq n GLY 133 N 3.54 0.76 3.74 2.92 0.00 0.08 -5.00 105.19 111.23 1sgq n GLY 133 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1sgq n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sgq s MET 134 N -0.45 4.51 -0.07 1.61 0.00 -0.64 -4.71 119.30 119.54 1sgq s MET 134 Ca 0.00 1.89 -0.26 0.00 0.00 0.00 0.00 55.69 57.31 1sgq s MET 134 Cb 0.00 -3.22 -0.03 0.00 0.00 0.00 0.00 34.83 31.58 1sgq s MET 134 CO 0.00 -0.05 0.83 0.00 0.00 0.00 0.00 175.02 175.81 1sgq s ALA 135 N -0.30 3.33 0.29 4.11 0.00 -1.26 -1.08 121.76 126.85 1sgq s ALA 135 Ca 0.51 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.74 1sgq s ALA 135 Cb -0.33 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1sgq s ALA 135 CO 0.38 -0.30 0.13 0.14 0.00 0.00 0.00 175.76 176.11 1sgq s VAL 136 N 1.24 0.47 -0.12 0.00 -7.23 -0.17 -4.66 120.40 109.93 1sgq s VAL 136 Ca 0.43 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1sgq s VAL 136 Cb -0.18 -2.57 0.03 0.00 0.56 0.00 0.00 36.38 34.22 1sgq s VAL 136 CO 0.20 0.00 0.31 -0.89 -0.31 0.00 0.00 175.10 174.41 1sgq s THR 137 N -3.64 -0.00 0.12 5.32 2.01 -0.11 -0.99 115.64 118.34 1sgq s THR 137 Ca 0.36 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.47 1sgq s THR 137 Cb 0.06 -0.44 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1sgq s THR 137 CO 0.16 0.00 -0.26 -0.60 -0.69 0.00 0.00 174.62 173.22 1sgq s ARG 138 N 0.23 1.47 -0.02 4.92 3.52 0.14 0.22 118.95 129.42 1sgq s ARG 138 Ca -0.01 -1.31 0.04 0.00 -0.13 0.00 0.00 55.73 54.32 1sgq s ARG 138 Cb -0.03 -1.92 -0.00 0.00 -1.56 0.00 0.00 34.95 31.44 1sgq s ARG 138 CO -0.00 0.46 -0.12 0.50 -0.81 0.00 0.00 175.30 175.32 1sgq s ARG 139 N -1.97 1.14 0.09 5.12 3.52 -1.01 -0.70 118.95 125.15 1sgq s ARG 139 Ca 0.14 -0.43 -0.08 0.00 -0.13 0.00 0.00 55.73 55.22 1sgq s ARG 139 Cb -0.10 -1.07 -0.01 0.00 -1.56 0.00 0.00 34.95 32.22 1sgq s ARG 139 CO 0.06 0.22 0.18 0.20 -0.81 0.00 0.00 175.30 175.15 1sgq s GLY 140 N -0.08 0.18 0.51 8.12 0.00 -0.59 -3.57 107.32 111.89 1sgq s GLY 140 Ca 0.01 -0.71 0.32 0.00 0.00 0.00 0.00 44.72 44.34 1sgq s GLY 140 CO 0.00 -0.86 1.92 1.48 0.00 0.00 0.00 173.10 175.64 1sgq h SER 141 N 2.76 0.00 0.00 1.64 4.64 -1.60 -1.97 113.55 119.01 1sgq h SER 141 Ca -0.34 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.80 1sgq h SER 141 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1sgq h SER 141 CO 0.56 0.00 -1.19 0.41 -0.87 0.00 0.00 176.83 175.74 1sgq n THR 142 N -3.01 1.50 1.01 2.95 -1.04 -1.26 -4.68 114.28 109.75 1sgq n THR 142 Ca 0.01 0.01 0.11 0.00 -2.04 0.00 0.00 64.05 62.14 1sgq n THR 142 Cb 0.33 -2.14 -0.00 0.00 -1.82 0.00 0.00 70.33 66.70 1sgq n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sgq n THR 143 N -4.46 0.00 -4.04 12.58 -2.24 -1.23 -5.07 114.28 109.81 1sgq n THR 143 Ca -0.27 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1sgq n THR 143 Cb 0.58 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1sgq n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sgq n GLY 156 N 1.43 0.41 3.73 3.38 0.00 -0.74 -4.84 105.19 108.55 1sgq n GLY 156 Ca 0.09 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 1sgq n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgq s THR 157 N 0.00 5.30 0.01 2.61 2.01 -1.26 -1.54 115.64 122.78 1sgq s THR 157 Ca 0.00 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.51 1sgq s THR 157 Cb 0.00 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 1sgq s THR 157 CO 0.00 0.40 0.06 -1.00 -0.69 0.00 0.00 174.62 173.39 1sgq s HIS 158 N 0.40 0.13 0.40 4.92 3.76 0.12 -4.97 115.29 120.05 1sgq s HIS 158 Ca 0.17 -0.29 0.05 0.00 -0.15 0.00 0.00 55.06 54.83 1sgq s HIS 158 Cb -0.13 -0.11 -0.06 0.00 1.11 0.00 0.00 32.58 33.39 1sgq s HIS 158 CO 0.04 -0.23 0.04 -1.12 -0.85 0.00 0.00 174.74 172.61 1sgq s SER 159 N -1.35 3.32 0.00 1.40 0.01 -1.26 -0.68 113.70 115.14 1sgq s SER 159 Ca -0.15 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.67 1sgq s SER 159 Cb -0.08 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1sgq s SER 159 CO 0.00 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.66 1sgq n GLY 160 N -0.92 -0.71 3.07 3.44 0.00 -0.17 -4.69 105.19 105.21 1sgq n GLY 160 Ca -0.06 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 1sgq n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgq s SER 161 N -4.00 0.53 -0.13 1.61 0.01 -1.26 -1.00 113.70 109.46 1sgq s SER 161 Ca 0.00 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.12 1sgq s SER 161 Cb 0.00 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.37 1sgq s SER 161 CO 0.00 -0.48 1.05 -0.69 0.41 0.00 0.00 173.24 173.52 1sgq s VAL 162 N -3.09 4.68 -0.15 3.43 1.01 -0.24 -2.29 120.40 123.76 1sgq s VAL 162 Ca 0.01 1.97 0.16 0.00 0.00 0.00 0.00 61.98 64.12 1sgq s VAL 162 Cb 0.02 -4.27 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 1sgq s VAL 162 CO -0.06 -0.04 0.41 0.35 0.00 0.00 0.00 175.10 175.75 1sgq n THR 163 N 4.74 0.00 -3.50 3.92 -2.24 0.73 -0.74 114.28 117.19 1sgq n THR 163 Ca 0.10 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.46 1sgq n THR 163 Cb 0.48 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 1sgq n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sgq s ALA 164 N -3.01 -1.73 0.29 6.98 0.00 -1.00 -4.88 121.76 118.42 1sgq s ALA 164 Ca -0.04 0.77 0.10 0.00 0.00 0.00 0.00 51.96 52.79 1sgq s ALA 164 Cb 0.11 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 1sgq s ALA 164 CO 0.66 -0.74 -0.13 -0.51 0.00 0.00 0.00 175.76 175.04 1sgq s LEU 165 N -2.60 2.62 -1.52 0.00 1.43 -1.26 -0.50 118.68 116.84 1sgq s LEU 165 Ca 0.04 -1.12 -0.05 0.00 -1.03 0.00 0.00 54.13 51.98 1sgq s LEU 165 Cb -0.01 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.30 1sgq s LEU 165 CO -0.09 -0.14 0.53 -3.20 0.23 0.00 0.00 176.35 173.68 1sgq n ASN 166 N -0.65 -5.69 -4.88 2.29 4.05 -0.65 -4.91 115.26 104.81 1sgq n ASN 166 Ca -0.05 -0.27 -0.30 0.00 0.45 0.00 0.00 54.58 54.41 1sgq n ASN 166 Cb 0.62 -4.63 -0.03 0.00 1.23 0.00 0.00 39.78 36.98 1sgq n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sgq s ALA 167 N -3.12 3.36 -0.15 5.20 0.00 0.09 -4.35 121.76 122.79 1sgq s ALA 167 Ca 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 1sgq s ALA 167 Cb -0.13 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1sgq s ALA 167 CO 0.36 -0.07 -0.03 0.99 0.00 0.00 0.00 175.76 177.01 1sgq s THR 168 N -2.44 3.99 -0.15 0.00 2.01 -1.26 -1.49 115.64 116.30 1sgq s THR 168 Ca 0.51 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1sgq s THR 168 Cb -0.10 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.68 1sgq s THR 168 CO 0.34 0.50 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.88 1sgq s VAL 169 N 0.24 2.00 -0.33 3.82 1.01 -0.59 -5.01 120.40 121.54 1sgq s VAL 169 Ca -0.02 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1sgq s VAL 169 Cb -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1sgq s VAL 169 CO 0.03 0.53 0.16 0.21 0.00 0.00 0.00 175.10 176.03 1sgq s ASN 170 N 1.05 5.55 0.00 3.32 2.47 -1.26 -1.21 114.94 124.85 1sgq s ASN 170 Ca -0.02 -0.67 0.27 0.00 0.42 0.00 0.00 52.86 52.86 1sgq s ASN 170 Cb -0.14 -1.99 0.87 0.00 -1.45 0.00 0.00 41.25 38.54 1sgq s ASN 170 CO -0.07 -0.24 1.64 -1.22 -3.72 0.00 0.00 177.10 173.49 1sgq n TYR 171 N 4.97 0.00 0.00 0.43 4.01 -0.37 -5.03 117.16 121.17 1sgq n TYR 171 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1sgq n TYR 171 Cb 0.48 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1sgq n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sgq n GLY 172 N 1.28 -0.66 2.47 2.72 0.00 -1.24 -4.81 105.19 104.95 1sgq n GLY 172 Ca 0.15 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 1sgq n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgq n GLY 173 N -0.67 1.06 1.21 -0.02 0.00 -1.26 -0.12 105.19 105.39 1sgq n GLY 173 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1sgq n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgq n GLY 174 N -1.06 0.68 3.39 -0.02 0.00 -1.26 -5.00 105.19 101.92 1sgq n GLY 174 Ca -0.10 -0.19 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 1sgq n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sgq s ASP 175 N -2.18 6.79 -0.06 1.61 1.01 0.83 -4.93 116.67 119.75 1sgq s ASP 175 Ca 0.00 -2.55 0.02 0.00 0.71 0.00 0.00 52.55 50.74 1sgq s ASP 175 Cb 0.00 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 1sgq s ASP 175 CO 0.00 -0.76 -0.10 -0.69 0.21 0.00 0.00 175.17 173.83 1sgq s VAL 176 N 1.18 3.44 0.03 -1.27 1.01 -1.26 -1.24 120.40 122.29 1sgq s VAL 176 Ca 0.27 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1sgq s VAL 176 Cb -0.07 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1sgq s VAL 176 CO -0.08 0.58 -0.23 0.68 0.00 0.00 0.00 175.10 176.05 1sgq s VAL 177 N -0.79 2.41 0.21 2.92 -7.23 -0.35 -0.24 120.40 117.34 1sgq s VAL 177 Ca 0.12 -1.24 0.10 0.00 -1.81 0.00 0.00 61.98 59.16 1sgq s VAL 177 Cb -0.11 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 1sgq s VAL 177 CO 0.01 0.40 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.71 1sgq s TYR 178 N -0.81 2.03 -0.00 2.82 2.02 -0.37 -1.55 117.35 121.49 1sgq s TYR 178 Ca 0.12 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1sgq s TYR 178 Cb -0.10 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.51 1sgq s TYR 178 CO 0.03 0.49 0.00 0.41 -1.57 0.00 0.00 175.55 174.90 1sgq n GLY 179 N -0.13 0.44 3.85 0.71 0.00 -1.08 -4.83 105.19 104.15 1sgq n GLY 179 Ca -0.09 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1sgq n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sgq s MET 180 N -1.12 3.99 -0.13 1.61 -1.94 -0.55 -4.28 119.30 116.88 1sgq s MET 180 Ca 0.00 0.78 -0.20 0.00 -1.71 0.00 0.00 55.69 54.56 1sgq s MET 180 Cb 0.00 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 1sgq s MET 180 CO 0.00 -0.01 0.56 0.42 -0.01 0.00 0.00 175.02 175.98 1sgq s ILE 181 N -2.24 5.12 -0.12 2.53 1.01 -0.19 -0.73 121.20 126.58 1sgq s ILE 181 Ca 0.56 1.12 -0.07 0.00 0.00 0.00 0.00 60.65 62.26 1sgq s ILE 181 Cb -0.10 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1sgq s ILE 181 CO 0.22 0.26 0.14 -0.60 0.00 0.00 0.00 174.94 174.95 1sgq s ARG 182 N 0.99 3.44 0.32 2.79 3.52 0.34 -0.85 118.95 129.51 1sgq s ARG 182 Ca 0.29 -0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.76 1sgq s ARG 182 Cb -0.16 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.03 1sgq s ARG 182 CO 0.12 0.77 0.37 0.95 -0.81 0.00 0.00 175.30 176.69 1sgq s THR 183 N -0.99 0.00 -0.32 4.11 -4.23 -0.66 -0.19 115.64 113.35 1sgq s THR 183 Ca 0.15 -1.79 0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1sgq s THR 183 Cb -0.12 -2.56 0.63 0.00 1.34 0.00 0.00 72.50 71.79 1sgq s THR 183 CO 0.04 0.00 1.68 -0.46 -0.54 0.00 0.00 174.62 175.34 1sgq n ASN 184 N -1.33 3.78 -4.85 3.99 6.94 -0.97 -2.83 115.26 120.00 1sgq n ASN 184 Ca 0.04 -3.44 -0.35 0.00 -0.02 0.00 0.00 54.58 50.80 1sgq n ASN 184 Cb 0.62 -0.71 -0.06 0.00 -2.36 0.00 0.00 39.78 37.28 1sgq n ASN 184 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sgq s VAL 190 N -3.11 4.93 0.59 3.53 1.01 -1.26 -4.59 120.40 121.49 1sgq s VAL 190 Ca 0.51 0.74 -0.07 0.00 0.00 0.00 0.00 61.98 63.16 1sgq s VAL 190 Cb 0.43 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1sgq s VAL 190 CO 0.08 0.29 0.91 0.00 0.00 0.00 0.00 175.10 176.39 1sgq s ALA 192 N -3.01 -1.72 0.13 0.00 0.00 -1.26 -4.94 121.76 110.97 1sgq s ALA 192 Ca 0.53 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.51 1sgq s ALA 192 Cb -0.11 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1sgq s ALA 192 CO 0.46 -0.52 0.04 -1.21 0.00 0.00 0.00 175.76 174.54 1sgq s GLU 192 N -2.13 0.92 -0.07 0.00 2.02 -1.26 -4.56 118.70 113.62 1sgq s GLU 192 Ca -0.06 -1.43 -0.38 0.00 0.02 0.00 0.00 54.97 53.12 1sgq s GLU 192 Cb -0.00 0.17 -0.16 0.00 0.10 0.00 0.00 34.13 34.24 1sgq s GLU 192 CO 0.01 -0.23 1.55 -2.30 0.02 0.00 0.00 175.26 174.31 1sgq n PRO 192 N -0.10 1.25 0.00 0.39 -0.02 -1.26 -1.28 135.00 133.99 1sgq n PRO 192 Ca -0.06 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1sgq n PRO 192 Cb 0.63 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1sgq n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sgq n GLY 193 N 3.35 1.40 0.03 -1.23 0.00 -1.26 -4.71 105.19 102.77 1sgq n GLY 193 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1sgq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sgq n ASP 194 N 0.00 0.63 -4.55 1.61 8.00 -0.41 -3.40 116.55 118.44 1sgq n ASP 194 Ca 0.00 -0.19 -0.44 0.00 0.71 0.00 0.00 54.79 54.87 1sgq n ASP 194 Cb 0.00 0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1sgq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sgq n SER 195 N -1.86 0.62 0.00 -2.24 7.64 -1.26 -1.19 113.62 115.33 1sgq n SER 195 Ca 0.03 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1sgq n SER 195 Cb 0.41 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1sgq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgq n GLY 196 N 1.40 1.86 3.83 0.23 0.00 0.45 -0.73 105.19 112.24 1sgq n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1sgq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgq s GLY 197 N -2.00 1.61 0.51 -0.02 0.00 -0.34 -2.43 107.32 104.66 1sgq s GLY 197 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.17 1sgq s GLY 197 CO 0.00 0.09 1.08 2.56 0.00 0.00 0.00 173.10 176.83 1sgq s PRO 198 N -5.28 3.61 -0.20 2.90 0.04 -1.23 -0.57 135.00 134.27 1sgq s PRO 198 Ca 0.61 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 1sgq s PRO 198 Cb -0.13 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1sgq s PRO 198 CO 0.53 -0.61 -0.13 -1.17 0.04 0.00 0.00 177.00 175.66 1sgq s LEU 199 N -3.61 2.49 0.18 -3.56 2.96 -0.16 -2.39 118.68 114.60 1sgq s LEU 199 Ca 0.70 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1sgq s LEU 199 Cb -0.20 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1sgq s LEU 199 CO 0.23 -0.00 0.13 -0.72 -1.32 0.00 0.00 176.35 174.67 1sgq s TYR 200 N 1.34 0.99 -0.34 5.38 1.13 0.13 -0.33 117.35 125.65 1sgq s TYR 200 Ca 0.05 -1.27 -0.01 0.00 -1.41 0.00 0.00 57.07 54.43 1sgq s TYR 200 Cb -0.14 -0.47 0.12 0.00 -1.10 0.00 0.00 41.96 40.37 1sgq s TYR 200 CO -0.08 -0.63 0.16 0.45 -2.51 0.00 0.00 175.55 172.95 1sgq s SER 201 N -3.11 3.60 0.39 -0.18 0.15 0.08 -0.94 113.70 113.70 1sgq s SER 201 Ca 0.32 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 55.09 1sgq s SER 201 Cb 0.07 -0.68 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1sgq s SER 201 CO 0.08 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1sgq n GLY 202 N 4.49 0.75 1.43 9.45 0.00 -1.26 -2.66 105.19 117.38 1sgq n GLY 202 Ca 0.02 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.35 1sgq n GLY 202 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sgq n THR 207 N 0.00 1.37 -3.52 2.61 -2.24 -1.26 -4.87 114.28 106.37 1sgq n THR 207 Ca 0.00 -1.03 -0.36 0.00 -2.27 0.00 0.00 64.05 60.38 1sgq n THR 207 Cb 0.00 0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 1sgq n THR 207 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sgq s ARG 208 N -1.49 4.26 -0.00 -0.78 0.52 -1.09 0.42 118.95 120.80 1sgq s ARG 208 Ca 0.48 0.11 -0.30 0.00 -0.52 0.00 0.00 55.73 55.50 1sgq s ARG 208 Cb 0.28 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 1sgq s ARG 208 CO 0.27 0.22 1.02 0.00 0.02 0.00 0.00 175.30 176.83 1sgq s ALA 209 N 0.52 3.22 0.00 2.13 0.00 0.16 -0.74 121.76 127.05 1sgq s ALA 209 Ca 0.17 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1sgq s ALA 209 Cb -0.13 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1sgq s ALA 209 CO 0.04 -0.30 0.00 -0.89 0.00 0.00 0.00 175.76 174.61 1sgq n ILE 210 N 3.97 0.00 -3.82 0.00 2.08 0.55 -1.80 119.36 120.34 1sgq n ILE 210 Ca 0.07 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.28 1sgq n ILE 210 Cb 0.50 -0.92 0.02 0.00 -0.75 0.00 0.00 39.64 38.49 1sgq n ILE 210 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1sgq n GLY 211 N 3.22 1.20 3.11 7.39 0.00 -0.58 -0.76 105.19 118.76 1sgq n GLY 211 Ca 0.00 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 1sgq n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sgq s LEU 212 N 0.00 1.83 0.07 0.99 1.43 -0.54 -0.99 118.68 121.47 1sgq s LEU 212 Ca 0.18 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 1sgq s LEU 212 Cb -0.04 -1.05 -0.09 0.00 0.03 0.00 0.00 46.19 45.04 1sgq s LEU 212 CO 0.13 0.09 1.86 -0.89 0.23 0.00 0.00 176.35 177.78 1sgq s THR 213 N 0.47 2.85 -0.22 5.49 2.01 0.27 -0.56 115.64 125.95 1sgq s THR 213 Ca -0.15 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1sgq s THR 213 Cb -0.16 -3.07 -0.11 0.00 0.01 0.00 0.00 72.50 69.17 1sgq s THR 213 CO 0.05 -0.01 -0.26 -0.24 -0.69 0.00 0.00 174.62 173.48 1sgq n SER 214 N 6.55 1.76 0.00 3.53 2.88 0.22 -0.41 113.62 128.15 1sgq n SER 214 Ca 0.18 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1sgq n SER 214 Cb 0.40 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1sgq n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sgq n GLY 215 N 1.83 -1.28 0.00 0.46 0.00 -1.02 -4.87 105.19 100.31 1sgq n GLY 215 Ca -0.42 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1sgq n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgq n GLY 216 N 0.00 -0.33 3.46 -0.02 0.00 -1.26 -0.50 105.19 106.53 1sgq n GLY 216 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1sgq n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sgq s SER 217 N -4.00 0.63 0.04 1.61 1.04 -0.44 -5.02 113.70 107.56 1sgq s SER 217 Ca 0.00 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.06 1sgq s SER 217 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1sgq s SER 217 CO 0.00 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1sgq n GLY 218 N -0.48 -1.62 3.83 7.32 0.00 -1.26 -1.90 105.19 111.07 1sgq n GLY 218 Ca 0.01 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 1sgq n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgq s ASN 219 N -4.00 -0.11 0.12 1.61 2.20 -1.02 -4.83 114.94 108.90 1sgq s ASN 219 Ca 0.00 -0.82 0.26 0.00 -0.94 0.00 0.00 52.86 51.37 1sgq s ASN 219 Cb 0.00 0.73 0.98 0.00 -2.00 0.00 0.00 41.25 40.96 1sgq s ASN 219 CO 0.00 -1.40 1.81 0.00 -2.94 0.00 0.00 177.10 174.57 1sgq h SER 221 N 0.00 0.00 0.44 0.00 0.87 -1.99 -3.35 113.55 109.52 1sgq h SER 221 Ca 0.00 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 1sgq h SER 221 Cb 0.59 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1sgq h SER 221 CO 0.00 1.00 -0.52 -1.20 -0.53 0.00 0.00 176.83 175.58 1sgq n SER 222 N -4.61 0.58 0.00 6.23 7.64 -1.24 -5.07 113.62 117.15 1sgq n SER 222 Ca -0.11 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1sgq n SER 222 Cb 0.46 0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1sgq n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgq n GLY 223 N 1.49 2.70 0.74 0.23 0.00 -0.15 -4.93 105.19 105.28 1sgq n GLY 223 Ca 0.06 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 1sgq n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgq n GLY 224 N 0.71 1.52 3.00 -0.02 0.00 -1.25 -2.44 105.19 106.72 1sgq n GLY 224 Ca 0.00 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 1sgq n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sgq s THR 225 N -2.67 1.18 0.01 2.61 2.01 -0.80 -4.11 115.64 113.87 1sgq s THR 225 Ca 0.04 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1sgq s THR 225 Cb -0.01 -1.10 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1sgq s THR 225 CO 0.02 0.37 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.27 1sgq s THR 226 N 0.96 1.28 -0.08 -0.82 2.01 -1.13 -1.32 115.64 116.54 1sgq s THR 226 Ca -0.09 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.06 1sgq s THR 226 Cb -0.15 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1sgq s THR 226 CO -0.00 0.23 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.74 1sgq s PHE 227 N -0.57 2.97 0.09 4.92 0.08 0.34 -1.66 117.98 124.14 1sgq s PHE 227 Ca 0.05 0.01 0.08 0.00 0.12 0.00 0.00 56.93 57.20 1sgq s PHE 227 Cb -0.07 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1sgq s PHE 227 CO 0.00 0.32 -0.22 -0.06 -0.10 0.00 0.00 175.22 175.16 1sgq s PHE 228 N -0.72 1.92 0.01 0.36 0.40 -0.03 -0.61 117.98 119.31 1sgq s PHE 228 Ca 0.11 -0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 55.79 1sgq s PHE 228 Cb -0.11 -1.08 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 1sgq s PHE 228 CO 0.02 0.19 0.77 -1.14 0.70 0.00 0.00 175.22 175.76 1sgq s GLN 229 N -1.67 4.49 0.10 0.44 2.00 0.28 -1.02 119.66 124.28 1sgq s GLN 229 Ca 0.08 1.06 -0.31 0.00 -2.00 0.00 0.00 55.36 54.19 1sgq s GLN 229 Cb -0.10 -3.40 -0.10 0.00 0.80 0.00 0.00 33.01 30.22 1sgq s GLN 229 CO 0.04 0.19 1.80 -2.14 -0.50 0.00 0.00 175.29 174.67 1sgq s PRO 230 N 0.30 4.15 0.44 1.67 0.02 -1.26 -1.47 135.00 138.84 1sgq s PRO 230 Ca 0.40 2.53 0.21 0.00 0.02 0.00 0.00 61.00 64.16 1sgq s PRO 230 Cb -0.20 -3.66 1.00 0.00 0.02 0.00 0.00 34.50 31.66 1sgq s PRO 230 CO 0.22 -0.83 1.89 -0.24 -0.33 0.00 0.00 177.00 177.71 1sgq h VAL 231 N 4.83 0.79 -0.21 3.83 3.04 -1.26 -2.98 116.25 124.28 1sgq h VAL 231 Ca -0.45 -1.05 0.01 0.00 -1.01 0.00 0.00 66.70 64.19 1sgq h VAL 231 Cb 1.21 1.64 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 1sgq h VAL 231 CO 0.94 0.25 0.14 0.71 -1.01 0.00 0.00 177.57 178.60 1sgq h THR 232 N 0.00 1.03 -0.03 3.17 1.35 -1.85 -0.35 112.91 116.23 1sgq h THR 232 Ca -0.00 -0.09 -0.12 0.00 -0.55 0.00 0.00 66.41 65.65 1sgq h THR 232 Cb 0.62 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1sgq h THR 232 CO 0.03 0.05 -0.53 -0.33 -0.25 0.00 0.00 175.52 174.48 1sgq h GLU 233 N 0.25 0.09 0.09 4.72 5.08 -1.91 -2.07 114.58 120.82 1sgq h GLU 233 Ca 0.08 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 1sgq h GLU 233 Cb 0.02 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1sgq h GLU 233 CO -0.02 0.60 -1.15 0.00 -1.00 0.00 0.00 179.01 177.45 1sgq h ALA 234 N 1.39 0.20 -0.63 3.43 0.00 -1.20 -2.56 119.26 119.88 1sgq h ALA 234 Ca -0.00 -0.87 0.04 0.00 0.00 0.00 0.00 54.91 54.08 1sgq h ALA 234 Cb 0.97 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1sgq h ALA 234 CO 0.07 1.02 0.37 -0.07 0.00 0.00 0.00 179.25 180.64 1sgq h LEU 235 N 0.07 0.58 -0.05 0.00 3.38 -1.21 -0.79 115.31 117.28 1sgq h LEU 235 Ca -0.10 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 1sgq h LEU 235 Cb 1.87 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.53 1sgq h LEU 235 CO 0.18 0.39 -0.66 0.58 0.09 0.00 0.00 178.44 179.02 1sgq h VAL 235 N 0.71 1.36 -0.92 1.22 2.07 -1.44 0.48 116.25 119.74 1sgq h VAL 235 Ca 0.27 -2.01 0.11 0.00 0.82 0.00 0.00 66.70 65.89 1sgq h VAL 235 Cb 0.09 2.35 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1sgq h VAL 235 CO -0.13 0.60 0.59 0.00 0.02 0.00 0.00 177.57 178.65 1sgq h ALA 236 N 0.41 1.63 -0.01 1.67 0.00 -1.11 -2.63 119.26 119.22 1sgq h ALA 236 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sgq h ALA 236 Cb 1.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sgq h ALA 236 CO 0.13 0.17 -0.43 0.66 0.00 0.00 0.00 179.25 179.78 1sgq n TYR 237 N -4.55 0.00 -2.49 0.00 4.01 -0.33 -4.97 117.16 108.82 1sgq n TYR 237 Ca 0.16 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.79 1sgq n TYR 237 Cb 0.34 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 1sgq n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sgq n GLY 238 N 1.40 -0.00 3.62 2.72 0.00 0.07 -5.01 105.19 107.99 1sgq n GLY 238 Ca 0.10 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 1sgq n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sgq s VAL 239 N -2.75 1.41 0.07 1.61 -7.23 -0.63 -4.74 120.40 108.14 1sgq s VAL 239 Ca 0.10 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 1sgq s VAL 239 Cb -0.04 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1sgq s VAL 239 CO 0.12 0.00 0.29 -0.94 -0.31 0.00 0.00 175.10 174.27 1sgq s SER 240 N -3.71 -0.09 0.67 4.85 1.04 -0.56 -4.65 113.70 111.25 1sgq s SER 240 Ca 0.24 -0.31 -0.13 0.00 0.48 0.00 0.00 55.95 56.24 1sgq s SER 240 Cb 0.06 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1sgq s SER 240 CO 0.12 -0.68 1.07 0.68 0.98 0.00 0.00 173.24 175.42 1sgq s VAL 241 N -3.02 3.76 0.00 5.02 -7.23 -1.26 -0.51 120.40 117.15 1sgq s VAL 241 Ca -0.02 0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1sgq s VAL 241 Cb 0.01 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.66 1sgq s VAL 241 CO -0.06 -0.63 0.00 0.00 -0.31 0.00 0.00 175.10 174.10