#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sgq s SER 17 N 0.00 2.40 0.19 9.51 1.04 -1.26 -2.77 113.70 122.80 3sgq s SER 17 Ca 0.00 -1.64 -0.33 0.00 0.48 0.00 0.00 55.95 54.46 3sgq s SER 17 Cb 0.00 0.44 -0.13 0.00 0.10 0.00 0.00 66.02 66.43 3sgq s SER 17 CO 0.00 -0.91 1.63 0.61 0.98 0.00 0.00 173.24 175.55 3sgq n GLY 18 N -0.80 1.28 0.00 7.32 0.00 -0.10 -2.35 105.19 110.54 3sgq n GLY 18 Ca -0.03 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.62 3sgq n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgq n GLY 19 N 3.56 3.05 3.76 -0.02 0.00 0.21 -2.59 105.19 113.16 3sgq n GLY 19 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3sgq n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3sgq s ASP 29 N -0.65 4.84 0.45 1.61 1.01 -0.99 -2.02 116.67 120.92 3sgq s ASP 29 Ca 0.00 2.03 -0.23 0.00 0.71 0.00 0.00 52.55 55.06 3sgq s ASP 29 Cb 0.00 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.30 3sgq s ASP 29 CO 0.00 -1.81 1.15 0.00 0.21 0.00 0.00 175.17 174.72 3sgq s ALA 30 N -2.36 2.99 -0.01 5.23 0.00 -1.26 -0.40 121.76 125.94 3sgq s ALA 30 Ca 0.67 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.57 3sgq s ALA 30 Cb -0.21 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 3sgq s ALA 30 CO 0.44 -0.60 -0.12 0.96 0.00 0.00 0.00 175.76 176.44 3sgq s ILE 31 N -1.56 0.96 -0.03 0.00 -4.36 -0.06 -4.77 121.20 111.38 3sgq s ILE 31 Ca 0.63 -0.51 0.05 0.00 -0.26 0.00 0.00 60.65 60.56 3sgq s ILE 31 Cb -0.28 -0.81 -0.01 0.00 1.25 0.00 0.00 42.46 42.61 3sgq s ILE 31 CO 0.34 0.28 -0.20 -0.31 0.24 0.00 0.00 174.94 175.29 3sgq s TYR 32 N -0.19 1.86 0.00 1.37 1.51 -0.13 -0.82 117.35 120.96 3sgq s TYR 32 Ca 0.03 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 3sgq s TYR 32 Cb -0.06 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 3sgq s TYR 32 CO -0.00 -0.11 0.00 -1.13 -1.11 0.00 0.00 175.55 173.19 3sgq n SER 33 N 2.87 1.95 0.15 2.29 3.41 -0.75 -0.40 113.62 123.14 3sgq n SER 33 Ca -0.17 -0.75 -0.01 0.00 -0.26 0.00 0.00 58.87 57.69 3sgq n SER 33 Cb 0.53 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.68 3sgq n SER 33 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3sgq h SER 34 N 0.00 0.00 0.03 4.04 4.64 -1.95 -3.31 113.55 117.01 3sgq h SER 34 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3sgq h SER 34 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3sgq h SER 34 CO 0.00 0.57 -0.76 0.71 -0.87 0.00 0.00 176.83 176.48 3sgq h THR 39 N 0.00 1.33 -0.41 2.95 1.35 -1.95 -3.51 112.91 112.67 3sgq h THR 39 Ca -0.01 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 3sgq h THR 39 Cb 1.01 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 3sgq h THR 39 CO 0.07 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 3sgq n GLY 40 N 1.58 2.49 3.42 5.82 0.00 -1.25 -5.16 105.19 112.10 3sgq n GLY 40 Ca -0.21 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 3sgq n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3sgq s ARG 41 N 1.43 2.52 0.00 1.61 3.52 -1.26 -1.82 118.95 124.95 3sgq s ARG 41 Ca 0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 3sgq s ARG 41 Cb 0.00 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 3sgq s ARG 41 CO 0.00 0.56 0.00 0.00 -0.81 0.00 0.00 175.30 175.05 3sgq s SER 43 N -0.09 2.32 0.08 0.00 0.01 -0.10 -0.88 113.70 115.03 3sgq s SER 43 Ca 0.00 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 3sgq s SER 43 Cb 0.00 -0.17 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 3sgq s SER 43 CO 0.00 0.11 1.18 -0.22 0.41 0.00 0.00 173.24 174.71 3sgq s LEU 44 N -1.35 4.39 0.00 2.44 0.20 0.46 -3.83 118.68 120.99 3sgq s LEU 44 Ca 0.06 2.02 0.00 0.00 0.69 0.00 0.00 54.13 56.90 3sgq s LEU 44 Cb -0.09 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.09 3sgq s LEU 44 CO 0.02 -0.43 0.00 0.61 -0.29 0.00 0.00 176.35 176.27 3sgq n GLY 45 N 3.00 0.30 3.05 7.98 0.00 0.20 0.67 105.19 120.39 3sgq n GLY 45 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3sgq n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3sgq s PHE 46 N -0.53 0.68 -0.04 1.61 0.08 -1.17 -3.94 117.98 114.67 3sgq s PHE 46 Ca 0.00 -0.40 -0.27 0.00 0.12 0.00 0.00 56.93 56.38 3sgq s PHE 46 Cb 0.00 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 3sgq s PHE 46 CO 0.00 -0.05 0.87 -0.80 -0.10 0.00 0.00 175.22 175.14 3sgq s ASN 47 N -1.23 7.20 0.27 1.36 0.01 -1.26 -0.28 114.94 121.01 3sgq s ASN 47 Ca -0.06 1.45 0.03 0.00 -0.71 0.00 0.00 52.86 53.57 3sgq s ASN 47 Cb -0.08 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3sgq s ASN 47 CO 0.00 -0.23 0.18 0.68 -1.51 0.00 0.00 177.10 176.22 3sgq s VAL 48 N 1.09 0.12 0.17 1.60 -7.23 -0.79 -4.10 120.40 111.26 3sgq s VAL 48 Ca 0.46 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.43 3sgq s VAL 48 Cb -0.19 -2.51 0.05 0.00 0.56 0.00 0.00 36.38 34.29 3sgq s VAL 48 CO 0.23 0.00 0.55 0.00 -0.31 0.00 0.00 175.10 175.57 3sgq s ARG 48 N -3.86 1.30 -0.09 4.82 3.03 -0.11 -1.21 118.95 122.84 3sgq s ARG 48 Ca 0.38 -0.65 -0.02 0.00 2.03 0.00 0.00 55.73 57.47 3sgq s ARG 48 Cb 0.05 0.55 0.03 0.00 -1.03 0.00 0.00 34.95 34.56 3sgq s ARG 48 CO 0.18 -0.56 0.01 0.45 -1.13 0.00 0.00 175.30 174.25 3sgq s SER 48 N -2.80 1.72 1.93 -2.89 0.15 0.15 -1.28 113.70 110.68 3sgq s SER 48 Ca 0.04 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.53 3sgq s SER 48 Cb -0.01 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 3sgq s SER 48 CO -0.09 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3sgq n GLY 48 N 5.15 3.67 1.11 9.45 0.00 -1.26 -0.24 105.19 123.06 3sgq n GLY 48 Ca -0.07 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3sgq n GLY 48 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3sgq n SER 48 N 6.41 3.28 -4.66 1.61 3.41 -1.26 -4.89 113.62 117.52 3sgq n SER 48 Ca 0.00 -1.96 -0.35 0.00 -0.26 0.00 0.00 58.87 56.30 3sgq n SER 48 Cb 0.00 -0.29 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 3sgq n SER 48 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3sgq s THR 49 N -1.42 5.03 -0.11 6.66 2.01 0.67 -5.07 115.64 123.41 3sgq s THR 49 Ca 0.40 0.06 -0.08 0.00 0.31 0.00 0.00 61.69 62.38 3sgq s THR 49 Cb 0.22 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3sgq s THR 49 CO 0.31 0.43 0.16 -0.31 -0.69 0.00 0.00 174.62 174.52 3sgq s TYR 50 N 0.54 3.61 0.34 4.92 2.02 -1.26 0.32 117.35 127.83 3sgq s TYR 50 Ca 0.05 0.56 0.04 0.00 -0.37 0.00 0.00 57.07 57.35 3sgq s TYR 50 Cb -0.12 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.45 3sgq s TYR 50 CO 0.00 0.72 0.37 0.66 -1.57 0.00 0.00 175.55 175.74 3sgq n TYR 51 N 2.00 -1.08 -4.04 2.71 4.02 -0.35 -2.35 117.16 118.07 3sgq n TYR 51 Ca -0.19 -2.58 -0.12 0.00 -0.01 0.00 0.00 57.90 55.00 3sgq n TYR 51 Cb 0.55 0.40 -0.11 0.00 -0.02 0.00 0.00 39.34 40.16 3sgq n TYR 51 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 3sgq s PHE 52 N -3.15 0.53 0.06 -0.72 -0.12 0.18 -1.89 117.98 112.87 3sgq s PHE 52 Ca 0.35 -0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 56.68 3sgq s PHE 52 Cb 0.01 -0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.02 3sgq s PHE 52 CO 0.25 -0.12 0.26 -0.51 -0.05 0.00 0.00 175.22 175.04 3sgq s LEU 53 N -1.57 4.34 0.00 -1.99 1.43 0.62 -1.10 118.68 120.40 3sgq s LEU 53 Ca -0.12 0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3sgq s LEU 53 Cb -0.10 -2.94 0.01 0.00 0.03 0.00 0.00 46.19 43.19 3sgq s LEU 53 CO -0.00 0.17 0.10 1.07 0.23 0.00 0.00 176.35 177.92 3sgq n THR 54 N 0.51 0.00 -2.38 5.49 5.66 -1.03 0.63 114.28 123.16 3sgq n THR 54 Ca -0.06 -0.22 -0.39 0.00 -3.05 0.00 0.00 64.05 60.32 3sgq n THR 54 Cb 0.52 0.17 -0.03 0.00 -1.55 0.00 0.00 70.33 69.43 3sgq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3sgq s ALA 55 N -1.45 3.29 0.41 1.79 0.00 -1.26 -1.86 121.76 122.69 3sgq s ALA 55 Ca 0.04 0.94 0.13 0.00 0.00 0.00 0.00 51.96 53.07 3sgq s ALA 55 Cb -0.00 -3.36 0.86 0.00 0.00 0.00 0.00 23.12 20.62 3sgq s ALA 55 CO 0.03 -0.35 1.91 0.78 0.00 0.00 0.00 175.76 178.12 3sgq h GLY 56 N 3.19 0.00 2.00 0.00 0.00 -1.62 -1.19 103.07 105.46 3sgq h GLY 56 Ca -0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3sgq h GLY 56 CO 0.65 0.00 -0.00 1.12 0.00 0.00 0.00 176.54 178.30 3sgq h HIS 57 N 0.00 0.00 0.19 5.60 2.07 -1.87 0.16 115.15 121.30 3sgq h HIS 57 Ca -0.00 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.19 3sgq h HIS 57 Cb 0.48 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.48 3sgq h HIS 57 CO 0.00 0.00 -1.51 0.00 -3.07 0.00 0.00 177.93 173.36 3sgq h THR 59 N 0.11 0.00 -2.29 0.00 1.35 -0.64 -3.41 112.91 108.03 3sgq h THR 59 Ca -0.25 -0.81 -0.55 0.00 -0.55 0.00 0.00 66.41 64.25 3sgq h THR 59 Cb 2.09 1.67 0.02 0.00 -1.73 0.00 0.00 68.15 70.21 3sgq h THR 59 CO 0.22 0.00 1.19 -0.67 -0.25 0.00 0.00 175.52 176.01 3sgq n ASP 60 N -2.71 3.98 -0.45 5.36 2.03 -0.01 -1.89 116.55 122.86 3sgq n ASP 60 Ca 0.04 0.93 -0.06 0.00 0.52 0.00 0.00 54.79 56.22 3sgq n ASP 60 Cb 0.50 -1.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.38 3sgq n ASP 60 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3sgq n GLY 62 N 4.48 0.74 3.63 0.27 0.00 -1.26 -5.00 105.19 108.06 3sgq n GLY 62 Ca 0.20 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3sgq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sgq s ALA 63 N -1.92 3.13 0.03 4.61 0.00 -0.79 -4.98 121.76 121.84 3sgq s ALA 63 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 3sgq s ALA 63 Cb 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.94 3sgq s ALA 63 CO 0.00 0.64 -0.04 0.25 0.00 0.00 0.00 175.76 176.61 3sgq n THR 64 N 1.25 0.79 -3.75 0.00 -2.24 -1.26 -4.59 114.28 104.48 3sgq n THR 64 Ca -0.14 0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 3sgq n THR 64 Cb 0.52 -1.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.23 3sgq n THR 64 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3sgq s THR 65 N -1.71 5.26 -0.04 4.28 2.01 -1.26 -0.52 115.64 123.66 3sgq s THR 65 Ca -0.03 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.02 3sgq s THR 65 Cb 0.00 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 3sgq s THR 65 CO 0.05 0.20 -0.15 0.26 -0.69 0.00 0.00 174.62 174.29 3sgq s TRP 66 N -1.48 1.49 0.16 4.92 0.52 -0.85 -4.17 118.94 119.53 3sgq s TRP 66 Ca 0.34 -0.42 0.09 0.00 0.02 0.00 0.00 56.10 56.14 3sgq s TRP 66 Cb -0.13 -1.02 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 3sgq s TRP 66 CO 0.22 -0.15 -0.21 -1.58 0.02 0.00 0.00 176.95 175.25 3sgq s TRP 67 N 0.11 1.97 -1.20 -1.98 0.51 0.47 0.60 118.94 119.41 3sgq s TRP 67 Ca -0.04 -0.42 0.29 0.00 -2.12 0.00 0.00 56.10 53.81 3sgq s TRP 67 Cb -0.11 -1.00 1.25 0.00 -0.81 0.00 0.00 33.47 32.79 3sgq s TRP 67 CO 0.02 0.35 1.91 0.00 -0.51 0.00 0.00 176.95 178.72 3sgq n ALA 68 N 0.47 2.55 -2.34 0.98 0.00 0.12 -0.96 120.51 121.33 3sgq n ALA 68 Ca -0.14 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 3sgq n ALA 68 Cb 0.56 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.49 3sgq n ALA 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3sgq s ASN 78 N -2.81 0.21 0.43 0.00 4.22 -1.26 -4.86 114.94 110.87 3sgq s ASN 78 Ca 0.20 -1.10 0.12 0.00 -2.14 0.00 0.00 52.86 49.93 3sgq s ASN 78 Cb 0.19 0.35 0.94 0.00 1.28 0.00 0.00 41.25 44.01 3sgq s ASN 78 CO 0.52 -0.79 2.00 0.77 -2.04 0.00 0.00 177.10 177.56 3sgq h SER 79 N 2.75 0.15 0.60 3.54 4.64 -1.98 -1.70 113.55 121.54 3sgq h SER 79 Ca -0.34 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3sgq h SER 79 Cb 1.21 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3sgq h SER 79 CO 0.55 0.25 -0.02 0.00 -0.87 0.00 0.00 176.83 176.74 3sgq h ALA 80 N 1.77 1.04 -4.82 5.18 0.00 -1.99 -3.47 119.26 116.97 3sgq h ALA 80 Ca 0.04 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 3sgq h ALA 80 Cb 0.24 -0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.14 3sgq h ALA 80 CO 0.01 0.03 -0.54 0.54 0.00 0.00 0.00 179.25 179.29 3sgq n ARG 81 N -3.17 -6.21 -0.00 0.00 3.00 -0.64 -4.91 116.66 104.73 3sgq n ARG 81 Ca -0.01 0.65 0.06 0.00 -0.01 0.00 0.00 57.85 58.55 3sgq n ARG 81 Cb 0.22 -5.17 -0.09 0.00 0.00 0.00 0.00 32.46 27.43 3sgq n ARG 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3sgq n THR 82 N -4.39 0.00 -3.95 0.55 -2.24 -1.26 -4.85 114.28 98.13 3sgq n THR 82 Ca -0.01 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.17 3sgq n THR 82 Cb 0.56 0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 69.12 3sgq n THR 82 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3sgq s THR 83 N -2.62 2.72 0.15 4.28 2.01 -1.26 -5.07 115.64 115.84 3sgq s THR 83 Ca -0.02 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.07 3sgq s THR 83 Cb 0.08 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 3sgq s THR 83 CO 0.51 -0.19 0.94 -0.69 -0.69 0.00 0.00 174.62 174.49 3sgq s VAL 84 N 1.16 4.38 -0.25 3.82 1.01 -1.26 0.16 120.40 129.42 3sgq s VAL 84 Ca -0.03 2.04 -0.11 0.00 0.00 0.00 0.00 61.98 63.87 3sgq s VAL 84 Cb -0.20 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.76 3sgq s VAL 84 CO -0.03 0.38 -0.31 0.18 0.00 0.00 0.00 175.10 175.32 3sgq n LEU 85 N 2.36 1.93 0.00 3.92 4.77 0.20 -4.47 117.00 125.71 3sgq n LEU 85 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3sgq n LEU 85 Cb 0.49 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3sgq n LEU 85 CO 0.50 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.75 3sgq n GLY 86 N 1.52 -0.84 3.19 -0.72 0.00 -1.15 -1.04 105.19 106.15 3sgq n GLY 86 Ca -0.49 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 3sgq n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3sgq s THR 87 N -3.00 1.38 0.20 2.61 -4.23 -0.09 -2.00 115.64 110.51 3sgq s THR 87 Ca 0.00 -1.08 -0.32 0.00 -1.18 0.00 0.00 61.69 59.11 3sgq s THR 87 Cb 0.00 -1.22 -0.14 0.00 1.34 0.00 0.00 72.50 72.48 3sgq s THR 87 CO 0.00 0.11 1.42 0.41 -0.54 0.00 0.00 174.62 176.03 3sgq n THR 88 N 1.91 0.62 0.04 3.99 -1.04 0.32 -0.68 114.28 119.44 3sgq n THR 88 Ca -0.17 -0.16 0.02 0.00 -2.04 0.00 0.00 64.05 61.70 3sgq n THR 88 Cb 0.54 -1.38 -0.04 0.00 -1.82 0.00 0.00 70.33 67.63 3sgq n THR 88 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3sgq n SER 89 N 2.50 3.17 -3.52 8.00 7.64 0.51 -4.82 113.62 127.10 3sgq n SER 89 Ca 0.14 -0.12 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 3sgq n SER 89 Cb 0.29 1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 3sgq n SER 89 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3sgq s GLY 90 N -2.34 -0.43 -0.27 0.23 0.00 -1.06 -4.96 107.32 98.50 3sgq s GLY 90 Ca -0.01 1.33 -0.11 0.00 0.00 0.00 0.00 44.72 45.93 3sgq s GLY 90 CO 0.20 0.62 0.60 -0.45 0.00 0.00 0.00 173.10 174.06 3sgq s SER 91 N -1.91 -0.88 -0.35 1.64 0.15 -1.26 -1.49 113.70 109.60 3sgq s SER 91 Ca 0.01 1.40 0.02 0.00 0.70 0.00 0.00 55.95 58.07 3sgq s SER 91 Cb -0.01 1.77 0.11 0.00 -1.71 0.00 0.00 66.02 66.18 3sgq s SER 91 CO -0.04 -0.22 0.11 -0.55 1.20 0.00 0.00 173.24 173.74 3sgq s SER 93 N 2.41 4.26 -0.28 5.45 0.15 0.17 -4.99 113.70 120.87 3sgq s SER 93 Ca -0.07 -2.02 -0.23 0.00 0.70 0.00 0.00 55.95 54.33 3sgq s SER 93 Cb -0.10 -1.20 0.10 0.00 -1.71 0.00 0.00 66.02 63.12 3sgq s SER 93 CO -0.18 -0.37 0.89 0.12 1.20 0.00 0.00 173.24 174.90 3sgq s PHE 94 N 1.10 -0.65 0.00 3.44 5.36 -1.26 -1.70 117.98 124.27 3sgq s PHE 94 Ca 0.12 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.58 3sgq s PHE 94 Cb -0.19 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 3sgq s PHE 94 CO -0.15 -0.31 0.00 -0.35 -1.46 0.00 0.00 175.22 172.95 3sgq n PRO 99 N 2.79 1.98 0.00 10.12 -0.04 -1.26 -4.97 135.00 143.61 3sgq n PRO 99 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3sgq n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3sgq n PRO 99 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3sgq n ASN 100 N 0.00 0.00 -2.36 3.54 3.02 0.95 -4.72 115.26 115.69 3sgq n ASN 100 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 3sgq n ASN 100 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3sgq n ASN 100 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3sgq n ASN 101 N 2.55 0.80 -2.97 6.41 3.02 -1.26 -1.57 115.26 122.24 3sgq n ASN 101 Ca 0.00 -1.22 -0.15 0.00 -0.03 0.00 0.00 54.58 53.18 3sgq n ASN 101 Cb 0.00 -0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3sgq n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3sgq n ASP 102 N -2.39 -1.12 -3.94 6.41 -0.08 -1.14 -4.06 116.55 110.24 3sgq n ASP 102 Ca 0.01 -3.14 -0.10 0.00 -1.51 0.00 0.00 54.79 50.05 3sgq n ASP 102 Cb 0.08 0.61 -0.11 0.00 2.34 0.00 0.00 41.12 44.04 3sgq n ASP 102 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3sgq s TYR 103 N -0.58 0.17 0.16 -0.67 -0.85 -0.69 -3.56 117.35 111.34 3sgq s TYR 103 Ca 0.33 -0.37 -0.04 0.00 -0.52 0.00 0.00 57.07 56.47 3sgq s TYR 103 Cb 0.25 -0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 3sgq s TYR 103 CO -0.13 -0.21 0.17 0.20 -1.52 0.00 0.00 175.55 174.05 3sgq s GLY 104 N -1.34 0.90 -0.11 5.49 0.00 -0.77 0.43 107.32 111.91 3sgq s GLY 104 Ca -0.15 -1.31 -0.09 0.00 0.00 0.00 0.00 44.72 43.18 3sgq s GLY 104 CO -0.00 -1.17 0.29 -1.50 0.00 0.00 0.00 173.10 170.72 3sgq s ILE 105 N -4.05 -0.01 -0.08 0.90 2.07 -0.55 -2.47 121.20 117.01 3sgq s ILE 105 Ca 0.25 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.58 3sgq s ILE 105 Cb 0.06 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 3sgq s ILE 105 CO 0.04 0.02 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.17 3sgq s VAL 106 N 0.53 2.25 -0.18 4.00 1.01 -0.26 -0.36 120.40 127.38 3sgq s VAL 106 Ca -0.03 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 3sgq s VAL 106 Cb -0.05 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3sgq s VAL 106 CO -0.03 0.56 0.54 -0.60 0.00 0.00 0.00 175.10 175.58 3sgq s ARG 107 N 0.02 4.24 0.22 2.72 3.52 0.14 -0.65 118.95 129.16 3sgq s ARG 107 Ca -0.08 0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 55.70 3sgq s ARG 107 Cb -0.15 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.61 3sgq s ARG 107 CO 0.05 -0.10 1.37 0.71 -0.81 0.00 0.00 175.30 176.53 3sgq s TYR 108 N 1.46 3.15 0.00 5.12 2.02 -0.99 -0.91 117.35 127.20 3sgq s TYR 108 Ca 0.26 1.12 0.00 0.00 -0.37 0.00 0.00 57.07 58.08 3sgq s TYR 108 Cb -0.16 -3.70 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 3sgq s TYR 108 CO 0.10 -2.25 0.04 0.25 -1.57 0.00 0.00 175.55 172.12 3sgq n THR 109 N 2.57 0.00 -3.06 -0.71 -2.24 -0.21 -4.91 114.28 105.72 3sgq n THR 109 Ca 0.07 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 3sgq n THR 109 Cb 0.42 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.59 3sgq n THR 109 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3sgq s ASN 110 N -0.84 6.64 0.02 3.42 3.04 -1.07 -4.95 114.94 121.19 3sgq s ASN 110 Ca 0.00 0.78 -0.18 0.00 0.04 0.00 0.00 52.86 53.51 3sgq s ASN 110 Cb 0.00 -2.36 -0.28 0.00 -1.54 0.00 0.00 41.25 37.07 3sgq s ASN 110 CO 0.00 -0.40 1.06 0.71 -3.04 0.00 0.00 177.10 175.43 3sgq h THR 111 N 5.41 1.37 -0.06 -5.21 1.35 -1.93 -3.38 112.91 110.46 3sgq h THR 111 Ca -0.26 -2.36 -0.21 0.00 -0.55 0.00 0.00 66.41 63.03 3sgq h THR 111 Cb 1.12 2.76 0.01 0.00 -1.73 0.00 0.00 68.15 70.31 3sgq h THR 111 CO 0.80 0.70 -0.79 0.71 -0.25 0.00 0.00 175.52 176.68 3sgq h THR 112 N 0.05 1.32 -1.93 6.82 1.35 -2.00 -3.47 112.91 115.06 3sgq h THR 112 Ca -0.15 -2.07 -0.64 0.00 -0.55 0.00 0.00 66.41 63.00 3sgq h THR 112 Cb 1.69 2.29 0.05 0.00 -1.73 0.00 0.00 68.15 70.45 3sgq h THR 112 CO 0.19 0.63 0.71 0.00 -0.25 0.00 0.00 175.52 176.80 3sgq n ILE 113 N -4.02 0.10 -2.18 6.82 3.06 -1.26 -4.90 119.36 116.99 3sgq n ILE 113 Ca -0.09 -0.02 -0.41 0.00 -2.50 0.00 0.00 62.75 59.73 3sgq n ILE 113 Cb 0.76 -1.26 -0.02 0.00 0.54 0.00 0.00 39.64 39.65 3sgq n ILE 113 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 3sgq s PRO 114 N 1.40 4.40 -0.70 9.51 0.05 -1.26 -4.89 135.00 143.51 3sgq s PRO 114 Ca 0.85 2.15 0.01 0.00 0.05 0.00 0.00 61.00 64.05 3sgq s PRO 114 Cb -0.83 -3.09 0.17 0.00 0.05 0.00 0.00 34.50 30.80 3sgq s PRO 114 CO 0.46 -0.13 0.51 0.15 0.05 0.00 0.00 177.00 178.04 3sgq s LYS 115 N -1.68 2.62 0.15 4.56 1.02 -1.26 -1.11 119.74 124.04 3sgq s LYS 115 Ca 0.48 -2.95 -0.30 0.00 0.02 0.00 0.00 55.97 53.22 3sgq s LYS 115 Cb -0.38 -3.64 -0.07 0.00 -0.52 0.00 0.00 37.83 33.22 3sgq s LYS 115 CO 0.50 -1.21 1.14 -0.51 -0.92 0.00 0.00 175.35 174.35 3sgq s ASP 116 N -0.26 7.18 -0.16 2.83 1.01 -1.12 -4.89 116.67 121.27 3sgq s ASP 116 Ca 0.22 2.09 -0.06 0.00 0.71 0.00 0.00 52.55 55.51 3sgq s ASP 116 Cb -0.14 -2.60 -0.20 0.00 1.01 0.00 0.00 42.92 41.00 3sgq s ASP 116 CO -0.08 -0.32 3.43 0.61 0.21 0.00 0.00 175.17 179.02 3sgq n GLY 117 N 2.38 3.33 2.65 0.21 0.00 -1.26 -4.64 105.19 107.87 3sgq n GLY 117 Ca 0.05 -1.36 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 3sgq n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3sgq n THR 118 N 2.21 0.00 -3.72 2.61 -2.24 -1.26 -2.92 114.28 108.96 3sgq n THR 118 Ca 0.46 -1.91 -0.30 0.00 -2.27 0.00 0.00 64.05 60.03 3sgq n THR 118 Cb 0.82 0.74 -0.14 0.00 -2.10 0.00 0.00 70.33 69.65 3sgq n THR 118 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3sgq s VAL 119 N -2.84 1.14 0.00 2.28 1.01 -0.58 -0.92 120.40 120.50 3sgq s VAL 119 Ca 0.20 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.17 3sgq s VAL 119 Cb 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3sgq s VAL 119 CO 0.14 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.05 3sgq n GLY 120 N 4.16 2.45 1.14 4.51 0.00 -1.07 -1.56 105.19 114.82 3sgq n GLY 120 Ca 0.04 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.73 3sgq n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgq n GLY 121 N 0.00 1.86 3.66 -0.02 0.00 -1.26 -4.88 105.19 104.55 3sgq n GLY 121 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3sgq n GLY 121 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3sgq s GLN 122 N -1.28 4.22 0.38 1.61 2.00 -0.60 -5.01 119.66 120.98 3sgq s GLN 122 Ca 0.40 1.58 -0.26 0.00 -2.00 0.00 0.00 55.36 55.09 3sgq s GLN 122 Cb 0.22 -3.75 -0.09 0.00 0.80 0.00 0.00 33.01 30.19 3sgq s GLN 122 CO 0.26 -0.72 1.16 0.34 -0.50 0.00 0.00 175.29 175.83 3sgq s ASP 123 N 1.89 6.68 -0.14 6.67 2.15 -1.26 -1.52 116.67 131.14 3sgq s ASP 123 Ca 0.53 2.33 0.02 0.00 0.43 0.00 0.00 52.55 55.86 3sgq s ASP 123 Cb -0.20 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.80 3sgq s ASP 123 CO 0.14 -0.56 -0.19 -0.63 -0.17 0.00 0.00 175.17 173.75 3sgq s ILE 124 N -1.38 2.36 0.00 4.11 -1.09 -1.15 -4.40 121.20 119.65 3sgq s ILE 124 Ca 0.55 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 3sgq s ILE 124 Cb -0.31 -1.96 0.00 0.00 -1.58 0.00 0.00 42.46 38.61 3sgq s ILE 124 CO 0.39 0.54 0.24 0.35 -1.23 0.00 0.00 174.94 175.23 3sgq n THR 125 N 3.91 0.00 -3.81 2.92 -2.24 0.11 -4.73 114.28 110.44 3sgq n THR 125 Ca -0.19 -0.39 -0.05 0.00 -2.27 0.00 0.00 64.05 61.15 3sgq n THR 125 Cb 0.52 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 3sgq n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3sgq s SER 126 N -0.28 -0.22 0.20 3.42 1.04 -1.13 -4.97 113.70 111.75 3sgq s SER 126 Ca 0.00 -0.52 0.10 0.00 0.48 0.00 0.00 55.95 56.01 3sgq s SER 126 Cb 0.00 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 3sgq s SER 126 CO 0.00 -1.15 -0.12 0.00 0.98 0.00 0.00 173.24 172.94 3sgq s ALA 127 N -3.64 2.86 0.16 5.32 0.00 -1.26 0.04 121.76 125.25 3sgq s ALA 127 Ca 0.12 -1.55 -0.20 0.00 0.00 0.00 0.00 51.96 50.32 3sgq s ALA 127 Cb -0.04 -0.62 0.05 0.00 0.00 0.00 0.00 23.12 22.51 3sgq s ALA 127 CO 0.05 0.43 0.54 0.00 0.00 0.00 0.00 175.76 176.78 3sgq s ALA 128 N -1.81 -1.28 0.23 0.00 0.00 -0.35 -4.85 121.76 113.71 3sgq s ALA 128 Ca 0.25 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 3sgq s ALA 128 Cb -0.08 0.83 -0.08 0.00 0.00 0.00 0.00 23.12 23.79 3sgq s ALA 128 CO 0.14 -0.76 0.69 -0.80 0.00 0.00 0.00 175.76 175.04 3sgq s ASN 129 N -2.80 6.95 0.57 0.00 0.01 -1.26 -4.48 114.94 113.92 3sgq s ASN 129 Ca 0.04 1.32 -0.16 0.00 -0.71 0.00 0.00 52.86 53.35 3sgq s ASN 129 Cb -0.01 -2.38 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 3sgq s ASN 129 CO -0.10 -0.01 1.03 0.00 -1.51 0.00 0.00 177.10 176.51 3sgq s ALA 130 N -1.62 2.88 -0.00 0.60 0.00 -1.26 -5.07 121.76 117.28 3sgq s ALA 130 Ca 0.45 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.64 3sgq s ALA 130 Cb -0.15 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3sgq s ALA 130 CO 0.20 -0.60 0.09 0.95 0.00 0.00 0.00 175.76 176.39 3sgq s THR 131 N -2.58 0.07 0.19 0.00 -4.23 -1.26 -5.08 115.64 102.75 3sgq s THR 131 Ca 0.61 -0.61 -0.32 0.00 -1.18 0.00 0.00 61.69 60.19 3sgq s THR 131 Cb -0.13 -0.33 -0.12 0.00 1.34 0.00 0.00 72.50 73.25 3sgq s THR 131 CO 0.36 -0.33 1.70 0.52 -0.54 0.00 0.00 174.62 176.33 3sgq n VAL 132 N 1.81 0.04 -0.58 2.29 0.31 -1.26 -1.70 118.33 119.23 3sgq n VAL 132 Ca -0.21 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3sgq n VAL 132 Cb 0.56 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3sgq n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3sgq n GLY 133 N 3.86 0.74 3.73 2.92 0.00 -0.17 -5.00 105.19 111.27 3sgq n GLY 133 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3sgq n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3sgq s MET 134 N -0.42 4.50 -0.08 1.61 0.00 -0.69 -4.74 119.30 119.48 3sgq s MET 134 Ca 0.00 1.83 -0.30 0.00 0.00 0.00 0.00 55.69 57.22 3sgq s MET 134 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 34.83 31.55 3sgq s MET 134 CO 0.00 -0.09 1.01 0.00 0.00 0.00 0.00 175.02 175.94 3sgq s ALA 135 N 0.13 3.35 0.14 4.11 0.00 -1.26 -1.21 121.76 127.02 3sgq s ALA 135 Ca 0.53 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3sgq s ALA 135 Cb -0.31 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3sgq s ALA 135 CO 0.35 -0.52 0.01 0.14 0.00 0.00 0.00 175.76 175.74 3sgq s VAL 136 N 1.77 0.41 -0.01 0.00 -7.23 0.30 -4.68 120.40 110.96 3sgq s VAL 136 Ca 0.50 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 3sgq s VAL 136 Cb -0.19 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.77 3sgq s VAL 136 CO 0.21 -0.57 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.48 3sgq s THR 137 N -3.83 0.43 0.05 5.32 2.01 0.47 -1.04 115.64 119.05 3sgq s THR 137 Ca 0.21 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 62.07 3sgq s THR 137 Cb 0.07 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 3sgq s THR 137 CO 0.01 0.13 -0.23 -0.60 -0.69 0.00 0.00 174.62 173.24 3sgq s ARG 138 N -0.06 1.91 -0.05 4.92 3.52 0.75 0.02 118.95 129.96 3sgq s ARG 138 Ca 0.01 -1.06 0.02 0.00 -0.13 0.00 0.00 55.73 54.57 3sgq s ARG 138 Cb -0.03 -2.07 0.01 0.00 -1.56 0.00 0.00 34.95 31.30 3sgq s ARG 138 CO -0.00 0.52 -0.10 0.50 -0.81 0.00 0.00 175.30 175.41 3sgq s ARG 139 N -1.35 1.35 0.07 5.12 3.52 -1.03 0.03 118.95 126.66 3sgq s ARG 139 Ca 0.13 -0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 3sgq s ARG 139 Cb -0.10 -1.18 -0.03 0.00 -1.56 0.00 0.00 34.95 32.08 3sgq s ARG 139 CO 0.04 0.01 0.02 0.20 -0.81 0.00 0.00 175.30 174.76 3sgq s GLY 140 N 0.65 0.50 0.44 8.12 0.00 -0.69 -3.48 107.32 112.86 3sgq s GLY 140 Ca -0.12 -1.16 0.29 0.00 0.00 0.00 0.00 44.72 43.73 3sgq s GLY 140 CO 0.02 -1.24 1.85 1.48 0.00 0.00 0.00 173.10 175.21 3sgq h SER 141 N 3.03 0.00 0.05 1.64 4.64 -1.55 -1.34 113.55 120.02 3sgq h SER 141 Ca -0.34 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.62 3sgq h SER 141 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 3sgq h SER 141 CO 0.63 0.00 -2.01 0.41 -0.87 0.00 0.00 176.83 174.99 3sgq n THR 142 N -2.81 1.62 0.61 2.95 -1.04 -1.26 -4.69 114.28 109.66 3sgq n THR 142 Ca 0.02 -0.44 0.07 0.00 -2.04 0.00 0.00 64.05 61.66 3sgq n THR 142 Cb 0.32 -1.77 -0.09 0.00 -1.82 0.00 0.00 70.33 66.98 3sgq n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3sgq n THR 143 N -3.79 0.00 -3.65 12.58 -2.24 -1.24 -5.07 114.28 110.86 3sgq n THR 143 Ca -0.39 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3sgq n THR 143 Cb 0.92 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 3sgq n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3sgq n GLY 156 N 1.39 0.19 3.66 3.38 0.00 -0.51 -4.82 105.19 108.48 3sgq n GLY 156 Ca 0.02 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 3sgq n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3sgq s THR 157 N 0.00 5.14 0.10 2.61 2.01 -1.26 -1.70 115.64 122.54 3sgq s THR 157 Ca 0.00 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.16 3sgq s THR 157 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3sgq s THR 157 CO 0.00 0.40 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.19 3sgq s HIS 158 N 0.70 1.35 0.36 4.92 3.76 0.10 -4.97 115.29 121.53 3sgq s HIS 158 Ca 0.06 -0.51 0.07 0.00 -0.15 0.00 0.00 55.06 54.54 3sgq s HIS 158 Cb -0.13 -0.73 -0.07 0.00 1.11 0.00 0.00 32.58 32.76 3sgq s HIS 158 CO 0.01 0.11 -0.02 -1.12 -0.85 0.00 0.00 174.74 172.88 3sgq s SER 159 N -2.12 3.46 0.00 1.40 0.01 -1.26 -0.17 113.70 115.01 3sgq s SER 159 Ca 0.04 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.00 3sgq s SER 159 Cb -0.07 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.85 3sgq s SER 159 CO 0.03 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.89 3sgq n GLY 160 N -0.83 -0.65 3.24 3.44 0.00 -0.20 -4.76 105.19 105.43 3sgq n GLY 160 Ca -0.05 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 3sgq n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3sgq s SER 161 N -4.00 1.98 -0.19 1.61 0.01 -1.26 -0.54 113.70 111.30 3sgq s SER 161 Ca 0.00 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.15 3sgq s SER 161 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 3sgq s SER 161 CO 0.00 -0.15 1.20 -0.69 0.41 0.00 0.00 173.24 174.00 3sgq s VAL 162 N -2.18 4.40 -0.07 3.43 1.01 -0.35 -2.14 120.40 124.51 3sgq s VAL 162 Ca 0.09 1.69 0.20 0.00 0.00 0.00 0.00 61.98 63.96 3sgq s VAL 162 Cb -0.05 -4.10 -0.31 0.00 0.00 0.00 0.00 36.38 31.92 3sgq s VAL 162 CO 0.03 -0.16 0.36 0.35 0.00 0.00 0.00 175.10 175.68 3sgq n THR 163 N 5.39 0.35 -3.64 3.92 -2.24 0.11 -1.00 114.28 117.17 3sgq n THR 163 Ca 0.13 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 3sgq n THR 163 Cb 0.45 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 3sgq n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3sgq s ALA 164 N -3.22 -1.38 0.43 6.98 0.00 -1.11 -4.89 121.76 118.57 3sgq s ALA 164 Ca -0.08 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.01 3sgq s ALA 164 Cb 0.12 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 24.04 3sgq s ALA 164 CO 0.87 -0.90 0.02 -0.51 0.00 0.00 0.00 175.76 175.24 3sgq s LEU 165 N -2.84 2.76 -1.53 0.00 1.43 -1.26 -1.16 118.68 116.08 3sgq s LEU 165 Ca 0.06 -1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 51.58 3sgq s LEU 165 Cb -0.03 -0.89 0.13 0.00 0.03 0.00 0.00 46.19 45.43 3sgq s LEU 165 CO -0.03 -0.55 0.68 0.59 0.23 0.00 0.00 176.35 177.27 3sgq n ASN 166 N -1.05 -3.36 -4.84 2.29 3.02 -1.02 -4.89 115.26 105.41 3sgq n ASN 166 Ca -0.08 -0.79 -0.32 0.00 -0.03 0.00 0.00 54.58 53.36 3sgq n ASN 166 Cb 0.67 -2.76 -0.06 0.00 -0.61 0.00 0.00 39.78 37.02 3sgq n ASN 166 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3sgq s ALA 167 N -3.13 3.13 -0.12 5.41 0.00 0.69 -4.34 121.76 123.39 3sgq s ALA 167 Ca 0.63 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 3sgq s ALA 167 Cb -0.34 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3sgq s ALA 167 CO 0.78 0.07 0.04 0.99 0.00 0.00 0.00 175.76 177.64 3sgq s THR 168 N -2.26 4.64 -0.11 0.00 2.01 -1.26 -1.54 115.64 117.11 3sgq s THR 168 Ca 0.59 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.48 3sgq s THR 168 Cb -0.10 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.43 3sgq s THR 168 CO 0.20 0.56 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.88 3sgq s VAL 169 N -0.48 1.26 -0.40 3.82 1.01 0.15 -5.00 120.40 120.77 3sgq s VAL 169 Ca 0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 3sgq s VAL 169 Cb -0.12 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.10 3sgq s VAL 169 CO 0.02 0.40 0.26 0.21 0.00 0.00 0.00 175.10 175.99 3sgq s ASN 170 N 1.31 5.87 0.00 3.32 2.47 -1.26 -1.05 114.94 125.60 3sgq s ASN 170 Ca -0.01 -1.08 0.18 0.00 0.42 0.00 0.00 52.86 52.37 3sgq s ASN 170 Cb -0.14 -2.07 0.65 0.00 -1.45 0.00 0.00 41.25 38.24 3sgq s ASN 170 CO -0.05 -0.45 1.48 -1.22 -3.72 0.00 0.00 177.10 173.14 3sgq n TYR 171 N 5.05 0.26 -0.31 0.43 4.01 -0.17 -5.03 117.16 121.41 3sgq n TYR 171 Ca -0.11 -0.13 0.04 0.00 -0.16 0.00 0.00 57.90 57.53 3sgq n TYR 171 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 3sgq n TYR 171 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3sgq n GLY 172 N 1.10 -2.15 2.48 2.72 0.00 -1.25 -4.79 105.19 103.30 3sgq n GLY 172 Ca 0.15 -1.41 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 3sgq n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgq n GLY 173 N -2.86 0.77 2.03 -0.02 0.00 -1.26 -1.18 105.19 102.67 3sgq n GLY 173 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3sgq n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgq n GLY 174 N -0.77 1.02 3.56 -0.02 0.00 -1.26 -5.00 105.19 102.71 3sgq n GLY 174 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3sgq n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3sgq s ASP 175 N -3.05 6.67 -0.10 1.61 1.01 -0.33 -4.95 116.67 117.53 3sgq s ASP 175 Ca 0.00 -1.97 0.02 0.00 0.71 0.00 0.00 52.55 51.31 3sgq s ASP 175 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3sgq s ASP 175 CO 0.00 -1.31 -0.16 -0.69 0.21 0.00 0.00 175.17 173.22 3sgq s VAL 176 N 4.40 2.87 0.06 -1.27 1.01 -1.26 -1.00 120.40 125.21 3sgq s VAL 176 Ca 0.49 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3sgq s VAL 176 Cb 0.01 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3sgq s VAL 176 CO -0.02 0.55 -0.13 0.68 0.00 0.00 0.00 175.10 176.18 3sgq s VAL 177 N 0.05 3.19 0.21 2.92 -7.23 -0.21 -0.04 120.40 119.28 3sgq s VAL 177 Ca -0.06 -1.14 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 3sgq s VAL 177 Cb -0.15 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 3sgq s VAL 177 CO 0.05 0.26 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.65 3sgq s TYR 178 N -1.06 1.69 -0.72 2.82 2.02 -0.61 -0.67 117.35 120.83 3sgq s TYR 178 Ca 0.18 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 3sgq s TYR 178 Cb -0.11 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 3sgq s TYR 178 CO 0.09 0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 3sgq n GLY 179 N -0.38 0.68 3.82 0.71 0.00 -0.99 -4.83 105.19 104.20 3sgq n GLY 179 Ca -0.08 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3sgq n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3sgq s MET 180 N -3.11 4.22 -0.22 1.61 -1.94 -0.59 -4.45 119.30 114.83 3sgq s MET 180 Ca 0.00 1.06 -0.20 0.00 -1.71 0.00 0.00 55.69 54.84 3sgq s MET 180 Cb 0.00 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 3sgq s MET 180 CO 0.00 0.03 0.59 0.42 -0.01 0.00 0.00 175.02 176.05 3sgq s ILE 181 N -2.09 5.04 0.02 2.53 1.01 -0.11 -0.22 121.20 127.37 3sgq s ILE 181 Ca 0.59 1.09 -0.17 0.00 0.00 0.00 0.00 60.65 62.17 3sgq s ILE 181 Cb -0.10 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 3sgq s ILE 181 CO 0.15 0.11 0.48 -0.60 0.00 0.00 0.00 174.94 175.07 3sgq s ARG 182 N 2.00 4.06 0.22 2.79 3.52 -0.31 -0.47 118.95 130.76 3sgq s ARG 182 Ca 0.26 0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 56.36 3sgq s ARG 182 Cb -0.16 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 3sgq s ARG 182 CO 0.10 0.64 0.24 0.95 -0.81 0.00 0.00 175.30 176.41 3sgq s THR 183 N -0.97 0.00 -0.39 4.11 -4.23 -0.58 -0.71 115.64 112.86 3sgq s THR 183 Ca 0.26 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 3sgq s THR 183 Cb -0.18 -2.42 0.69 0.00 1.34 0.00 0.00 72.50 71.94 3sgq s THR 183 CO 0.15 0.00 1.85 -0.46 -0.54 0.00 0.00 174.62 175.62 3sgq n ASN 184 N -0.36 4.10 -4.78 3.99 0.23 -0.91 -2.73 115.26 114.80 3sgq n ASN 184 Ca 0.01 -3.47 -0.38 0.00 -0.53 0.00 0.00 54.58 50.21 3sgq n ASN 184 Cb 0.65 -0.79 -0.06 0.00 -2.08 0.00 0.00 39.78 37.50 3sgq n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3sgq s VAL 190 N -3.18 5.02 0.73 3.53 1.01 -1.25 -4.65 120.40 121.60 3sgq s VAL 190 Ca 0.56 0.99 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 3sgq s VAL 190 Cb 0.46 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 33.06 3sgq s VAL 190 CO 0.11 0.47 1.08 0.00 0.00 0.00 0.00 175.10 176.76 3sgq s ALA 192 N -3.16 -1.51 0.21 0.00 0.00 -1.26 -4.91 121.76 111.13 3sgq s ALA 192 Ca 0.59 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.79 3sgq s ALA 192 Cb -0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 3sgq s ALA 192 CO 0.54 -0.33 -0.04 -1.21 0.00 0.00 0.00 175.76 174.72 3sgq s GLU 192 N -0.88 1.26 0.12 0.00 2.02 -1.26 -4.66 118.70 115.30 3sgq s GLU 192 Ca -0.09 -1.61 -0.35 0.00 0.02 0.00 0.00 54.97 52.94 3sgq s GLU 192 Cb -0.02 -0.64 -0.15 0.00 0.10 0.00 0.00 34.13 33.42 3sgq s GLU 192 CO 0.07 -0.04 1.44 -2.30 0.02 0.00 0.00 175.26 174.45 3sgq n PRO 192 N -0.35 1.59 0.00 0.39 -0.02 -1.26 -1.23 135.00 134.12 3sgq n PRO 192 Ca -0.07 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3sgq n PRO 192 Cb 0.63 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3sgq n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3sgq n GLY 193 N 2.89 2.75 0.00 -1.23 0.00 -1.26 -4.72 105.19 103.63 3sgq n GLY 193 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3sgq n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3sgq n ASP 194 N 0.00 0.05 -4.67 1.61 8.00 -0.36 -3.31 116.55 117.87 3sgq n ASP 194 Ca 0.00 0.40 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 3sgq n ASP 194 Cb 0.00 -0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3sgq n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3sgq n SER 195 N -1.49 2.25 0.00 -2.24 7.64 -1.26 -1.78 113.62 116.73 3sgq n SER 195 Ca 0.07 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.11 3sgq n SER 195 Cb 0.34 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 3sgq n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3sgq n GLY 196 N 0.91 1.87 3.73 0.23 0.00 0.26 -0.92 105.19 111.27 3sgq n GLY 196 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3sgq n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sgq s GLY 197 N -2.00 1.66 0.46 -0.02 0.00 -0.74 -2.01 107.32 104.68 3sgq s GLY 197 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.75 3sgq s GLY 197 CO 0.00 0.65 1.07 2.56 0.00 0.00 0.00 173.10 177.38 3sgq s PRO 198 N -4.85 3.85 -0.20 2.90 0.04 -1.23 -1.24 135.00 134.27 3sgq s PRO 198 Ca 0.63 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 3sgq s PRO 198 Cb -0.19 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.11 3sgq s PRO 198 CO 0.57 -0.42 -0.12 -1.17 0.04 0.00 0.00 177.00 175.90 3sgq s LEU 199 N -3.22 2.55 0.35 -3.56 2.96 0.05 -2.47 118.68 115.34 3sgq s LEU 199 Ca 0.65 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3sgq s LEU 199 Cb -0.21 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3sgq s LEU 199 CO 0.25 -0.02 0.12 -0.72 -1.32 0.00 0.00 176.35 174.66 3sgq s TYR 200 N 1.37 1.75 -0.29 5.38 1.13 0.10 -1.15 117.35 125.65 3sgq s TYR 200 Ca 0.05 -1.24 0.01 0.00 -1.41 0.00 0.00 57.07 54.48 3sgq s TYR 200 Cb -0.14 -1.08 0.15 0.00 -1.10 0.00 0.00 41.96 39.79 3sgq s TYR 200 CO -0.08 -0.31 0.35 0.45 -2.51 0.00 0.00 175.55 173.45 3sgq s SER 201 N -3.50 1.06 1.18 -0.18 0.15 0.47 -0.40 113.70 112.49 3sgq s SER 201 Ca 0.31 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.38 3sgq s SER 201 Cb 0.05 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 3sgq s SER 201 CO 0.16 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.83 3sgq n GLY 202 N 5.33 1.14 1.19 9.45 0.00 -1.26 -1.84 105.19 119.20 3sgq n GLY 202 Ca -0.01 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.53 3sgq n GLY 202 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3sgq n THR 207 N 0.00 2.23 -3.73 2.61 -2.24 -1.26 -4.90 114.28 106.99 3sgq n THR 207 Ca 0.00 -1.60 -0.37 0.00 -2.27 0.00 0.00 64.05 59.81 3sgq n THR 207 Cb 0.00 -0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 67.98 3sgq n THR 207 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3sgq s ARG 208 N -2.53 3.90 0.03 -0.78 0.52 -0.77 0.07 118.95 119.40 3sgq s ARG 208 Ca 0.44 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 3sgq s ARG 208 Cb 0.34 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.31 3sgq s ARG 208 CO 0.13 -0.04 1.12 0.00 0.02 0.00 0.00 175.30 176.54 3sgq s ALA 209 N 1.28 3.32 -0.05 2.13 0.00 0.11 -0.40 121.76 128.15 3sgq s ALA 209 Ca 0.06 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.73 3sgq s ALA 209 Cb -0.14 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3sgq s ALA 209 CO 0.05 -0.38 -0.06 -0.89 0.00 0.00 0.00 175.76 174.48 3sgq n ILE 210 N 3.95 0.26 -3.75 0.00 2.08 -0.34 -1.21 119.36 120.36 3sgq n ILE 210 Ca 0.08 -0.07 -0.05 0.00 0.56 0.00 0.00 62.75 63.27 3sgq n ILE 210 Cb 0.48 -1.46 0.02 0.00 -0.75 0.00 0.00 39.64 37.93 3sgq n ILE 210 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3sgq n GLY 211 N 2.77 0.92 3.12 7.39 0.00 -0.30 -1.66 105.19 117.43 3sgq n GLY 211 Ca -0.09 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 3sgq n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3sgq s LEU 212 N 0.00 1.87 0.13 0.99 1.43 -0.04 -0.77 118.68 122.29 3sgq s LEU 212 Ca 0.16 -0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 52.52 3sgq s LEU 212 Cb -0.03 -1.13 -0.10 0.00 0.03 0.00 0.00 46.19 44.96 3sgq s LEU 212 CO 0.07 0.09 1.69 -0.89 0.23 0.00 0.00 176.35 177.55 3sgq s THR 213 N 0.54 2.60 -0.11 5.49 2.01 -0.37 -1.10 115.64 124.70 3sgq s THR 213 Ca -0.16 0.27 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 3sgq s THR 213 Cb -0.17 -3.17 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 3sgq s THR 213 CO 0.06 0.01 -0.20 -0.24 -0.69 0.00 0.00 174.62 173.56 3sgq n SER 214 N 4.90 1.34 -1.35 3.53 2.88 -0.79 -0.57 113.62 123.55 3sgq n SER 214 Ca 0.16 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 3sgq n SER 214 Cb 0.38 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 3sgq n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3sgq n GLY 215 N 2.19 0.43 0.00 0.46 0.00 -1.14 -4.88 105.19 102.24 3sgq n GLY 215 Ca -0.19 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3sgq n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgq n GLY 216 N -0.11 -0.34 3.53 -0.02 0.00 -1.26 -0.83 105.19 106.15 3sgq n GLY 216 Ca 0.01 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 3sgq n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sgq s SER 217 N -4.00 0.26 0.19 1.61 1.04 -0.26 -5.00 113.70 107.53 3sgq s SER 217 Ca 0.00 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.27 3sgq s SER 217 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3sgq s SER 217 CO 0.00 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.65 3sgq n GLY 218 N -0.43 -0.93 3.49 7.32 0.00 -1.26 -1.52 105.19 111.85 3sgq n GLY 218 Ca -0.01 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 3sgq n GLY 218 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3sgq n ASN 219 N -0.45 -1.86 0.15 1.61 0.23 -1.02 -4.84 115.26 109.08 3sgq n ASN 219 Ca 0.00 -2.66 0.13 0.00 -0.53 0.00 0.00 54.58 51.52 3sgq n ASN 219 Cb 0.00 3.21 0.39 0.00 -2.08 0.00 0.00 39.78 41.30 3sgq n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3sgq h SER 221 N 0.00 0.25 0.10 0.00 0.87 -2.00 -3.37 113.55 109.41 3sgq h SER 221 Ca 0.00 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 3sgq h SER 221 Cb 0.71 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3sgq h SER 221 CO 0.00 1.39 -1.06 -1.20 -0.53 0.00 0.00 176.83 175.43 3sgq n SER 222 N -4.22 0.79 0.00 6.23 7.64 -1.24 -5.08 113.62 117.73 3sgq n SER 222 Ca -0.19 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 58.97 3sgq n SER 222 Cb 0.74 1.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.95 3sgq n SER 222 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3sgq n GLY 223 N 1.46 2.65 2.36 0.23 0.00 0.56 -4.94 105.19 107.52 3sgq n GLY 223 Ca 0.03 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 3sgq n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sgq n GLY 224 N 0.82 0.89 3.03 -0.02 0.00 -1.21 -2.42 105.19 106.29 3sgq n GLY 224 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 3sgq n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3sgq s THR 225 N -2.27 1.49 -0.06 2.61 2.01 -0.57 -3.93 115.64 114.92 3sgq s THR 225 Ca 0.14 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.58 3sgq s THR 225 Cb -0.02 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 3sgq s THR 225 CO 0.04 0.44 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.29 3sgq s THR 226 N 1.21 2.23 -0.12 -0.82 2.01 -0.96 -1.10 115.64 118.08 3sgq s THR 226 Ca -0.02 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 3sgq s THR 226 Cb -0.14 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3sgq s THR 226 CO -0.05 0.57 0.04 -0.36 -0.69 0.00 0.00 174.62 174.13 3sgq s PHE 227 N -0.17 3.26 0.15 4.92 0.40 -0.01 -1.52 117.98 125.01 3sgq s PHE 227 Ca -0.03 0.20 0.09 0.00 -0.60 0.00 0.00 56.93 56.59 3sgq s PHE 227 Cb -0.14 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 3sgq s PHE 227 CO 0.04 0.41 -0.21 -0.06 0.70 0.00 0.00 175.22 176.10 3sgq s PHE 228 N -0.52 1.94 0.01 0.36 0.40 0.38 -1.89 117.98 118.66 3sgq s PHE 228 Ca 0.10 -0.43 -0.24 0.00 -0.60 0.00 0.00 56.93 55.76 3sgq s PHE 228 Cb -0.12 -1.00 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 3sgq s PHE 228 CO 0.02 0.32 0.74 -1.14 0.70 0.00 0.00 175.22 175.86 3sgq s GLN 229 N -2.45 4.46 0.13 0.44 2.00 -0.26 -0.93 119.66 123.06 3sgq s GLN 229 Ca 0.14 1.00 -0.31 0.00 -2.00 0.00 0.00 55.36 54.18 3sgq s GLN 229 Cb -0.08 -3.38 -0.09 0.00 0.80 0.00 0.00 33.01 30.26 3sgq s GLN 229 CO 0.06 0.23 1.52 -2.14 -0.50 0.00 0.00 175.29 174.47 3sgq s PRO 230 N 0.17 4.24 0.37 1.67 0.02 -1.26 -0.86 135.00 139.34 3sgq s PRO 230 Ca 0.38 2.26 0.15 0.00 0.02 0.00 0.00 61.00 63.82 3sgq s PRO 230 Cb -0.20 -3.25 0.71 0.00 0.02 0.00 0.00 34.50 31.78 3sgq s PRO 230 CO 0.21 -0.57 1.78 -0.24 -0.33 0.00 0.00 177.00 177.85 3sgq h VAL 231 N 4.21 1.12 -0.95 3.83 3.04 -1.62 -3.05 116.25 122.84 3sgq h VAL 231 Ca -0.42 -1.45 0.01 0.00 -1.01 0.00 0.00 66.70 63.83 3sgq h VAL 231 Cb 1.20 1.82 -0.05 0.00 -2.01 0.00 0.00 31.29 32.25 3sgq h VAL 231 CO 0.90 0.39 0.62 0.71 -1.01 0.00 0.00 177.57 179.18 3sgq h THR 232 N 0.00 1.25 -0.04 3.17 1.35 -1.86 -0.26 112.91 116.51 3sgq h THR 232 Ca -0.00 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 65.36 3sgq h THR 232 Cb 0.79 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 3sgq h THR 232 CO 0.05 0.24 -0.18 -0.33 -0.25 0.00 0.00 175.52 175.05 3sgq h GLU 233 N 1.28 0.07 0.11 4.72 5.08 -1.93 -2.05 114.58 121.87 3sgq h GLU 233 Ca 0.35 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.41 3sgq h GLU 233 Cb -0.14 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.12 3sgq h GLU 233 CO -0.07 0.25 -1.21 0.00 -1.00 0.00 0.00 179.01 176.97 3sgq h ALA 234 N 1.76 0.07 -0.35 3.43 0.00 -1.19 -2.72 119.26 120.24 3sgq h ALA 234 Ca 0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 3sgq h ALA 234 Cb 0.35 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3sgq h ALA 234 CO 0.02 0.76 0.02 -0.07 0.00 0.00 0.00 179.25 179.99 3sgq h LEU 235 N 0.22 0.51 -0.33 0.00 3.38 -0.71 -2.51 115.31 115.87 3sgq h LEU 235 Ca -0.17 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 3sgq h LEU 235 Cb 1.89 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.50 3sgq h LEU 235 CO 0.22 0.57 -0.36 -1.28 0.09 0.00 0.00 178.44 177.68 3sgq h SER 235 N 0.53 0.89 0.08 -0.43 0.87 -1.43 -0.64 113.55 113.41 3sgq h SER 235 Ca 0.11 -0.48 -0.09 0.00 -1.23 0.00 0.00 61.79 60.11 3sgq h SER 235 Cb 0.31 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3sgq h SER 235 CO 0.01 1.18 -0.30 0.00 -0.53 0.00 0.00 176.83 177.20 3sgq h ALA 236 N 0.73 1.17 -0.00 6.23 0.00 -1.12 -3.12 119.26 123.15 3sgq h ALA 236 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3sgq h ALA 236 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3sgq h ALA 236 CO 0.09 0.54 -0.78 0.66 0.00 0.00 0.00 179.25 179.75 3sgq n TYR 237 N -4.11 0.00 -2.68 0.00 4.01 -1.05 -4.97 117.16 108.36 3sgq n TYR 237 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3sgq n TYR 237 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.46 3sgq n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3sgq n GLY 238 N 1.42 0.23 3.68 2.72 0.00 -0.45 -5.02 105.19 107.78 3sgq n GLY 238 Ca 0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 3sgq n GLY 238 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3sgq s VAL 239 N -2.89 1.73 0.04 1.61 -7.23 -0.38 -4.73 120.40 108.56 3sgq s VAL 239 Ca 0.16 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 3sgq s VAL 239 Cb -0.07 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3sgq s VAL 239 CO 0.20 0.00 0.03 -0.94 -0.31 0.00 0.00 175.10 174.08 3sgq s SER 240 N -3.80 0.30 0.60 4.85 1.04 -0.40 -4.64 113.70 111.64 3sgq s SER 240 Ca 0.25 -0.70 -0.17 0.00 0.48 0.00 0.00 55.95 55.82 3sgq s SER 240 Cb 0.06 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3sgq s SER 240 CO 0.13 -0.52 1.09 0.68 0.98 0.00 0.00 173.24 175.60 3sgq s VAL 241 N -2.95 3.48 0.00 5.02 -7.23 -1.26 -0.93 120.40 116.52 3sgq s VAL 241 Ca -0.02 0.76 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 3sgq s VAL 241 Cb 0.01 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.68 3sgq s VAL 241 CO -0.06 -0.36 0.13 0.00 -0.31 0.00 0.00 175.10 174.50