#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys h VAL 2 N 0.00 1.57 -5.82 3.17 3.04 -2.00 -3.49 116.25 112.73 3cys h VAL 2 Ca 0.00 -2.86 -0.13 0.00 -1.01 0.00 0.00 66.70 62.70 3cys h VAL 2 Cb 0.00 2.55 0.01 0.00 -2.01 0.00 0.00 31.29 31.84 3cys h VAL 2 CO 0.00 0.81 -0.88 0.59 -1.01 0.00 0.00 177.57 177.08 3cys n ASN 3 N -3.52 -7.00 -4.80 3.17 4.13 -1.26 -4.93 115.26 101.05 3cys n ASN 3 Ca -0.00 0.44 -0.33 0.00 1.68 0.00 0.00 54.58 56.37 3cys n ASN 3 Cb 0.80 -3.68 -0.01 0.00 -1.54 0.00 0.00 39.78 35.36 3cys n ASN 3 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3cys s PRO 4 N -2.19 3.56 0.07 3.52 0.04 -1.26 -4.70 135.00 134.04 3cys s PRO 4 Ca 0.22 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.54 3cys s PRO 4 Cb -0.04 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3cys s PRO 4 CO 0.71 -0.62 0.08 0.99 0.04 0.00 0.00 177.00 178.19 3cys s THR 5 N -2.27 4.54 0.08 1.26 2.01 -1.25 -1.55 115.64 118.46 3cys s THR 5 Ca 0.65 -0.71 0.06 0.00 0.31 0.00 0.00 61.69 61.99 3cys s THR 5 Cb -0.16 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 3cys s THR 5 CO 0.30 0.17 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 3cys s VAL 6 N -1.35 1.25 0.01 3.82 1.01 0.19 0.14 120.40 125.47 3cys s VAL 6 Ca 0.28 -1.37 0.05 0.00 0.00 0.00 0.00 61.98 60.94 3cys s VAL 6 Cb -0.12 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3cys s VAL 6 CO 0.20 -0.19 -0.16 0.72 0.00 0.00 0.00 175.10 175.67 3cys s PHE 7 N -1.27 1.42 -0.13 5.22 -0.12 -0.81 -0.26 117.98 122.03 3cys s PHE 7 Ca 0.00 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 3cys s PHE 7 Cb -0.10 -0.89 0.02 0.00 -0.63 0.00 0.00 43.02 41.43 3cys s PHE 7 CO 0.03 0.01 -0.12 -0.06 -0.05 0.00 0.00 175.22 175.02 3cys s PHE 8 N -0.54 1.91 -0.21 3.49 0.40 0.56 -2.52 117.98 121.07 3cys s PHE 8 Ca 0.05 -1.03 -0.24 0.00 -0.60 0.00 0.00 56.93 55.11 3cys s PHE 8 Cb -0.07 -1.46 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 3cys s PHE 8 CO 0.00 -0.60 0.81 0.34 0.70 0.00 0.00 175.22 176.47 3cys s ASP 9 N 1.52 6.85 -0.22 1.36 -1.08 -0.68 -0.64 116.67 123.78 3cys s ASP 9 Ca 0.04 1.05 -0.10 0.00 -0.52 0.00 0.00 52.55 53.02 3cys s ASP 9 Cb -0.13 -2.43 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 3cys s ASP 9 CO -0.09 -0.45 0.14 -0.63 0.52 0.00 0.00 175.17 174.66 3cys s ILE 10 N 2.51 5.27 -0.18 4.11 -1.09 -0.61 -2.23 121.20 128.98 3cys s ILE 10 Ca 0.35 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 3cys s ILE 10 Cb -0.16 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 3cys s ILE 10 CO 0.09 0.38 -0.16 0.00 -1.23 0.00 0.00 174.94 174.03 3cys s ALA 11 N 0.82 2.46 -0.43 9.38 0.00 0.05 -0.48 121.76 133.57 3cys s ALA 11 Ca 0.07 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 50.75 3cys s ALA 11 Cb -0.13 -1.28 0.06 0.00 0.00 0.00 0.00 23.12 21.77 3cys s ALA 11 CO 0.02 -0.25 0.31 0.08 0.00 0.00 0.00 175.76 175.92 3cys s VAL 12 N 1.16 4.86 -0.49 0.00 1.01 0.21 -1.77 120.40 125.38 3cys s VAL 12 Ca 0.01 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.72 3cys s VAL 12 Cb -0.14 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3cys s VAL 12 CO -0.07 -0.44 0.64 0.47 0.00 0.00 0.00 175.10 175.70 3cys n ASP 13 N 5.08 -6.71 -4.29 3.32 8.00 -1.22 -2.56 116.55 118.18 3cys n ASP 13 Ca -0.11 0.10 -0.34 0.00 0.71 0.00 0.00 54.79 55.15 3cys n ASP 13 Cb 0.45 -3.57 -0.07 0.00 -0.02 0.00 0.00 41.12 37.91 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cys n GLY 14 N -0.44 -0.28 3.22 0.44 0.00 -1.26 -4.91 105.19 101.96 3cys n GLY 14 Ca -0.00 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 3cys n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cys s GLU 15 N -7.10 0.40 -0.42 1.61 -6.30 -1.06 -5.12 118.70 100.71 3cys s GLU 15 Ca 0.36 0.97 -0.29 0.00 -2.50 0.00 0.00 54.97 53.52 3cys s GLU 15 Cb -0.21 0.24 0.01 0.00 0.00 0.00 0.00 34.13 34.17 3cys s GLU 15 CO 0.97 -0.39 1.41 -1.25 0.02 0.00 0.00 175.26 176.03 3cys s PRO 16 N 2.67 3.57 0.03 4.30 0.04 -1.26 0.66 135.00 145.01 3cys s PRO 16 Ca 0.04 0.92 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 3cys s PRO 16 Cb -0.13 -4.03 -0.18 0.00 0.04 0.00 0.00 34.50 30.20 3cys s PRO 16 CO -0.15 -1.58 1.22 1.25 0.04 0.00 0.00 177.00 177.78 3cys h LEU 17 N 12.23 0.55 0.00 -3.56 5.85 -1.14 -3.48 115.31 125.75 3cys h LEU 17 Ca -0.27 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3cys h LEU 17 Cb 1.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3cys h LEU 17 CO 1.09 1.10 0.00 0.61 -0.34 0.00 0.00 178.44 180.90 3cys n GLY 18 N 0.69 -1.86 3.61 3.75 0.00 -1.23 -5.05 105.19 105.11 3cys n GLY 18 Ca -0.08 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 3cys n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cys s ARG 19 N -1.74 2.77 -0.18 1.61 3.00 -1.26 -1.57 118.95 121.58 3cys s ARG 19 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 55.73 55.16 3cys s ARG 19 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 34.95 32.31 3cys s ARG 19 CO 0.00 0.66 -0.06 0.08 0.00 0.00 0.00 175.30 175.99 3cys s VAL 20 N -0.87 3.51 -0.10 3.52 1.01 0.18 -4.87 120.40 122.79 3cys s VAL 20 Ca 0.14 -0.47 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 3cys s VAL 20 Cb -0.11 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 3cys s VAL 20 CO 0.03 0.47 0.05 -0.94 0.00 0.00 0.00 175.10 174.71 3cys s SER 21 N 0.85 5.64 0.04 3.32 1.04 -1.26 -0.33 113.70 123.01 3cys s SER 21 Ca -0.01 0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.71 3cys s SER 21 Cb -0.15 -1.68 -0.02 0.00 0.10 0.00 0.00 66.02 64.27 3cys s SER 21 CO 0.01 0.39 -0.12 -0.36 0.98 0.00 0.00 173.24 174.14 3cys s PHE 22 N -0.94 1.03 -0.08 5.02 0.40 0.64 -0.88 117.98 123.17 3cys s PHE 22 Ca 0.14 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 56.02 3cys s PHE 22 Cb -0.12 -0.61 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 3cys s PHE 22 CO 0.03 0.01 0.17 -1.83 0.70 0.00 0.00 175.22 174.30 3cys s GLU 23 N -1.29 3.48 -0.13 0.44 -1.05 0.22 -0.63 118.70 119.72 3cys s GLU 23 Ca -0.02 -0.14 -0.02 0.00 -0.15 0.00 0.00 54.97 54.64 3cys s GLU 23 Cb -0.08 -3.16 -0.03 0.00 -0.44 0.00 0.00 34.13 30.42 3cys s GLU 23 CO 0.01 0.74 -0.05 -1.17 0.95 0.00 0.00 175.26 175.74 3cys s LEU 24 N -1.28 3.17 -1.16 1.83 2.96 -0.59 -2.30 118.68 121.31 3cys s LEU 24 Ca 0.19 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3cys s LEU 24 Cb -0.12 -1.74 0.25 0.00 0.50 0.00 0.00 46.19 45.07 3cys s LEU 24 CO 0.08 0.21 1.55 0.49 -1.32 0.00 0.00 176.35 177.36 3cys n PHE 25 N 3.26 3.21 0.26 5.38 3.72 -1.25 -4.01 117.46 128.02 3cys n PHE 25 Ca -0.18 -2.92 0.14 0.00 -0.05 0.00 0.00 57.45 54.44 3cys n PHE 25 Cb 0.53 -1.64 0.61 0.00 -0.94 0.00 0.00 39.48 38.04 3cys n PHE 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3cys h ALA 26 N 5.89 1.03 -0.73 4.37 0.00 -1.92 -0.18 119.26 127.72 3cys h ALA 26 Ca 0.27 -0.08 -0.49 0.00 0.00 0.00 0.00 54.91 54.61 3cys h ALA 26 Cb 0.68 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.25 3cys h ALA 26 CO 1.37 0.11 0.63 -3.47 0.00 0.00 0.00 179.25 177.89 3cys n ASP 27 N -3.24 6.80 0.00 0.00 -0.08 -1.26 -3.52 116.55 115.25 3cys n ASP 27 Ca 0.00 -3.40 0.00 0.00 -1.51 0.00 0.00 54.79 49.89 3cys n ASP 27 Cb 0.34 -1.00 0.00 0.00 2.34 0.00 0.00 41.12 42.80 3cys n ASP 27 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3cys n LYS 28 N -0.29 0.00 -3.49 -0.67 3.00 -1.03 -4.96 118.16 110.72 3cys n LYS 28 Ca 0.46 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.49 3cys n LYS 28 Cb 0.67 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.60 3cys n LYS 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 3cys s VAL 29 N -2.00 0.69 0.21 3.15 -7.23 -0.11 -4.96 120.40 110.16 3cys s VAL 29 Ca 0.00 -2.69 0.07 0.00 -1.81 0.00 0.00 61.98 57.55 3cys s VAL 29 Cb 0.00 -1.48 -0.10 0.00 0.56 0.00 0.00 36.38 35.36 3cys s VAL 29 CO 0.00 -1.15 1.48 1.55 -0.31 0.00 0.00 175.10 176.67 3cys h PRO 30 N 5.90 0.07 -0.69 4.82 0.13 -1.74 -1.38 132.00 139.11 3cys h PRO 30 Ca 0.20 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 3cys h PRO 30 Cb 0.90 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.02 3cys h PRO 30 CO 0.40 0.80 0.22 -0.22 -0.23 0.00 0.00 178.00 178.97 3cys h LYS 31 N 0.04 1.05 -0.02 0.86 3.64 -1.92 0.57 116.57 120.78 3cys h LYS 31 Ca -0.02 -0.21 -0.26 0.00 -1.27 0.00 0.00 60.65 58.89 3cys h LYS 31 Cb 1.35 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 33.03 3cys h LYS 31 CO 0.11 0.90 -1.00 1.15 -2.27 0.00 0.00 179.45 178.33 3cys h THR 32 N 1.01 1.28 -0.43 1.00 2.02 -1.94 -3.26 112.91 112.59 3cys h THR 32 Ca 0.22 -2.21 -0.03 0.00 0.77 0.00 0.00 66.41 65.17 3cys h THR 32 Cb 0.28 2.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 3cys h THR 32 CO -0.01 0.69 0.16 0.00 0.37 0.00 0.00 175.52 176.73 3cys h ALA 33 N 0.43 0.57 -0.61 6.16 0.00 -0.83 -1.77 119.26 123.21 3cys h ALA 33 Ca -0.12 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3cys h ALA 33 Cb 1.65 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 3cys h ALA 33 CO 0.20 0.18 0.39 1.49 0.00 0.00 0.00 179.25 181.51 3cys h GLU 34 N 0.56 0.76 -0.28 0.00 4.57 -1.00 0.34 114.58 119.54 3cys h GLU 34 Ca 0.14 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 3cys h GLU 34 Cb 0.21 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3cys h GLU 34 CO -0.01 0.50 0.15 -0.97 -1.18 0.00 0.00 179.01 177.50 3cys h ASN 35 N 0.78 0.23 -0.42 1.04 -1.24 -1.54 0.33 115.58 114.77 3cys h ASN 35 Ca 0.24 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.22 3cys h ASN 35 Cb -0.03 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 38.95 3cys h ASN 35 CO -0.08 0.17 0.15 0.15 -1.29 0.00 0.00 177.43 176.54 3cys h PHE 36 N 0.31 0.71 0.00 0.67 3.57 -0.35 0.18 116.94 122.03 3cys h PHE 36 Ca 0.11 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3cys h PHE 36 Cb 0.01 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3cys h PHE 36 CO -0.09 0.58 -0.36 0.07 -2.23 0.00 0.00 178.31 176.29 3cys h ARG 37 N 0.69 0.00 -0.05 1.11 0.11 0.10 -2.28 114.38 114.07 3cys h ARG 37 Ca 0.16 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.20 3cys h ARG 37 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 3cys h ARG 37 CO -0.01 0.36 -0.13 0.00 0.10 0.00 0.00 179.97 180.29 3cys h ALA 38 N 1.64 0.08 0.00 0.08 0.00 0.93 -3.06 119.26 118.93 3cys h ALA 38 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3cys h ALA 38 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3cys h ALA 38 CO 0.05 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.56 3cys n LEU 39 N -4.63 0.00 0.15 0.00 4.77 0.50 0.12 117.00 117.91 3cys n LEU 39 Ca -0.08 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 3cys n LEU 39 Cb 0.38 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3cys n LEU 39 CO 0.37 -0.04 0.25 -1.28 -1.33 0.00 0.00 177.39 175.36 3cys h SER 40 N 0.00 -0.35 -0.03 -1.43 0.87 -1.30 -3.16 113.55 108.15 3cys h SER 40 Ca 0.00 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.40 3cys h SER 40 Cb 0.09 0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 61.98 3cys h SER 40 CO 0.00 -0.08 -0.33 1.07 -0.53 0.00 0.00 176.83 176.96 3cys n THR 41 N -4.04 0.09 0.00 2.23 5.66 -1.22 -3.97 114.28 113.02 3cys n THR 41 Ca -0.05 -1.15 0.00 0.00 -3.05 0.00 0.00 64.05 59.80 3cys n THR 41 Cb 0.16 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 3cys n THR 41 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cys n GLY 42 N -1.47 -1.25 3.51 1.09 0.00 -1.05 -5.02 105.19 101.00 3cys n GLY 42 Ca -0.16 0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3cys n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 43 N 0.00 1.40 -1.83 1.61 0.00 0.33 -3.94 120.64 118.21 3cys n GLU 43 Ca 0.00 -2.27 -0.14 0.00 0.00 0.00 0.00 57.16 54.75 3cys n GLU 43 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 31.44 27.80 3cys n GLU 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3cys n LYS 44 N 8.06 -1.65 0.00 5.31 5.02 -1.26 -2.11 118.16 131.54 3cys n LYS 44 Ca 0.45 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.50 3cys n LYS 44 Cb 0.46 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cys n GLY 45 N -0.50 1.02 1.26 0.72 0.00 -1.25 -5.11 105.19 101.33 3cys n GLY 45 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 3cys n GLY 45 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3cys n PHE 46 N -0.01 -0.60 0.00 1.61 1.16 -0.90 -5.07 117.46 113.65 3cys n PHE 46 Ca 0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 57.45 55.24 3cys n PHE 46 Cb 0.00 0.16 0.00 0.00 -1.61 0.00 0.00 39.48 38.03 3cys n PHE 46 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3cys n GLY 47 N -0.26 1.72 3.47 4.97 0.00 -1.26 -0.26 105.19 113.57 3cys n GLY 47 Ca 0.00 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 3cys n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3cys n TYR 48 N -0.25 -1.62 -2.72 1.61 4.11 -1.19 -4.72 117.16 112.38 3cys n TYR 48 Ca 0.00 0.36 -0.04 0.00 -0.00 0.00 0.00 57.90 58.21 3cys n TYR 48 Cb 0.00 -1.69 0.03 0.00 -0.00 0.00 0.00 39.34 37.67 3cys n TYR 48 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 3cys n LYS 49 N -3.34 0.41 0.00 -3.48 3.00 -1.26 -4.16 118.16 109.34 3cys n LYS 49 Ca 0.04 -1.51 0.00 0.00 -0.00 0.00 0.00 58.31 56.85 3cys n LYS 49 Cb 0.49 -0.90 0.00 0.00 0.00 0.00 0.00 35.03 34.62 3cys n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cys n GLY 50 N 2.50 -0.93 1.28 3.14 0.00 -1.26 -5.15 105.19 104.78 3cys n GLY 50 Ca 0.13 0.38 0.17 0.00 0.00 0.00 0.00 46.02 46.71 3cys n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 51 N 0.00 -7.60 -2.69 1.61 7.64 -1.26 -4.72 113.62 106.60 3cys n SER 51 Ca 0.00 0.52 -0.04 0.00 1.01 0.00 0.00 58.87 60.36 3cys n SER 51 Cb 0.00 -3.88 0.12 0.00 -1.01 0.00 0.00 64.21 59.44 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys s PHE 53 N -0.11 2.92 0.00 0.00 0.08 -1.22 -4.10 117.98 115.54 3cys s PHE 53 Ca 0.16 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.78 3cys s PHE 53 Cb 0.42 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 3cys s PHE 53 CO -0.10 -1.19 0.00 1.58 -0.10 0.00 0.00 175.22 175.41 3cys n HIS 54 N -0.76 -0.65 0.00 0.36 -0.00 -1.26 -4.45 115.22 108.46 3cys n HIS 54 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 3cys n HIS 54 Cb 0.50 0.13 0.00 0.00 -0.12 0.00 0.00 29.99 30.50 3cys n HIS 54 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 3cys n ARG 55 N -1.38 0.00 -4.60 1.57 0.63 -1.26 -4.97 116.66 106.64 3cys n ARG 55 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 3cys n ARG 55 Cb 0.00 0.00 -0.15 0.00 0.45 0.00 0.00 32.46 32.76 3cys n ARG 55 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3cys s ILE 56 N -0.69 1.04 -0.06 5.15 1.01 -1.26 -4.04 121.20 122.36 3cys s ILE 56 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.12 3cys s ILE 56 Cb 0.00 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.60 3cys s ILE 56 CO 0.00 0.30 -0.13 -0.63 0.00 0.00 0.00 174.94 174.47 3cys s ILE 57 N -0.26 1.20 -0.57 2.92 1.01 -1.21 -3.71 121.20 120.58 3cys s ILE 57 Ca 0.04 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 3cys s ILE 57 Cb -0.06 -1.07 0.01 0.00 0.01 0.00 0.00 42.46 41.35 3cys s ILE 57 CO -0.00 0.36 1.51 -2.16 0.00 0.00 0.00 174.94 174.65 3cys s PRO 58 N 0.46 3.18 0.00 2.79 0.04 -1.25 -3.30 135.00 136.91 3cys s PRO 58 Ca -0.11 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.42 3cys s PRO 58 Cb -0.14 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.22 3cys s PRO 58 CO 0.03 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.40 3cys n GLY 59 N 5.36 0.67 2.05 0.56 0.00 -1.26 -5.01 105.19 107.55 3cys n GLY 59 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3cys n GLY 59 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3cys n PHE 60 N 0.00 -3.35 -3.62 1.61 7.35 -1.21 -4.99 117.46 113.25 3cys n PHE 60 Ca 0.00 0.64 -0.03 0.00 -0.76 0.00 0.00 57.45 57.30 3cys n PHE 60 Cb 0.00 1.88 -0.01 0.00 0.35 0.00 0.00 39.48 41.70 3cys n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cys s MET 61 N -1.38 0.59 0.23 -4.13 0.23 -1.24 -1.63 119.30 111.98 3cys s MET 61 Ca 0.00 -0.29 0.10 0.00 -1.03 0.00 0.00 55.69 54.47 3cys s MET 61 Cb 0.00 0.23 -0.05 0.00 -1.53 0.00 0.00 34.83 33.48 3cys s MET 61 CO 0.00 -0.27 -0.17 0.00 -2.03 0.00 0.00 175.02 172.55 3cys s GLN 63 N -3.49 0.99 0.00 0.00 -2.07 -1.26 0.68 119.66 114.51 3cys s GLN 63 Ca 0.25 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.34 3cys s GLN 63 Cb -0.03 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.29 3cys s GLN 63 CO 0.10 -0.44 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 3cys n GLY 64 N -0.34 -0.71 5.45 2.60 0.00 -1.25 -4.45 105.19 106.49 3cys n GLY 64 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3cys n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cys n GLY 65 N 0.47 1.67 3.43 -0.02 0.00 -1.26 -4.44 105.19 105.03 3cys n GLY 65 Ca 0.00 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3cys n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cys n ASP 66 N 3.45 -1.49 -2.70 1.61 -0.08 -1.26 -4.66 116.55 111.42 3cys n ASP 66 Ca 0.00 0.72 -0.08 0.00 -1.51 0.00 0.00 54.79 53.92 3cys n ASP 66 Cb 0.00 -1.12 0.08 0.00 2.34 0.00 0.00 41.12 42.42 3cys n ASP 66 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3cys n PHE 67 N -1.68 -1.21 0.01 -0.67 7.35 -1.26 -4.62 117.46 115.38 3cys n PHE 67 Ca 0.11 -2.28 0.00 0.00 -0.76 0.00 0.00 57.45 54.52 3cys n PHE 67 Cb 0.47 0.89 0.00 0.00 0.35 0.00 0.00 39.48 41.19 3cys n PHE 67 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3cys n THR 68 N -0.34 0.00 -0.08 -2.13 -1.04 -1.26 -4.39 114.28 105.04 3cys n THR 68 Ca 0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.94 3cys n THR 68 Cb 0.83 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.24 3cys n THR 68 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3cys n ARG 69 N -2.59 1.26 -3.33 -2.82 0.00 -1.26 -4.99 116.66 102.93 3cys n ARG 69 Ca 0.00 0.03 -0.16 0.00 -0.00 0.00 0.00 57.85 57.72 3cys n ARG 69 Cb 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 32.46 31.19 3cys n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3cys n HIS 70 N -2.70 -2.22 -2.29 -0.14 8.25 -1.26 -4.92 115.22 109.94 3cys n HIS 70 Ca -0.26 0.89 -0.03 0.00 -0.26 0.00 0.00 57.72 58.07 3cys n HIS 70 Cb 0.91 -4.72 -0.01 0.00 1.12 0.00 0.00 29.99 27.28 3cys n HIS 70 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3cys n ASN 71 N -3.11 -0.25 0.00 0.41 4.13 -1.26 -4.89 115.26 110.30 3cys n ASN 71 Ca -0.22 -2.03 0.00 0.00 1.68 0.00 0.00 54.58 54.02 3cys n ASN 71 Cb 0.65 0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cys n GLY 72 N -0.05 2.40 2.94 7.41 0.00 -1.26 -4.80 105.19 111.82 3cys n GLY 72 Ca -0.14 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3cys n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cys n THR 73 N 0.00 3.87 0.07 2.61 -2.24 -1.26 -4.66 114.28 112.67 3cys n THR 73 Ca 0.00 -5.46 0.00 0.00 -2.27 0.00 0.00 64.05 56.32 3cys n THR 73 Cb 0.00 -2.23 0.00 0.00 -2.10 0.00 0.00 70.33 66.00 3cys n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cys n GLY 74 N 1.66 -0.20 3.64 3.38 0.00 -1.26 -4.86 105.19 107.55 3cys n GLY 74 Ca 0.25 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.80 3cys n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cys n GLY 75 N 2.03 0.72 3.92 -0.02 0.00 -1.26 -4.62 105.19 105.96 3cys n GLY 75 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 3cys n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cys s LYS 76 N 0.27 3.55 0.34 1.61 1.02 -1.26 -4.65 119.74 120.61 3cys s LYS 76 Ca 0.76 -0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.48 3cys s LYS 76 Cb -0.76 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 3cys s LYS 76 CO 0.45 0.44 0.57 -1.12 -0.92 0.00 0.00 175.35 174.77 3cys s SER 77 N -2.85 6.35 0.37 2.83 0.01 0.24 -4.70 113.70 115.95 3cys s SER 77 Ca 0.39 0.60 0.11 0.00 1.31 0.00 0.00 55.95 58.37 3cys s SER 77 Cb -0.12 -2.10 0.90 0.00 0.21 0.00 0.00 66.02 64.92 3cys s SER 77 CO 0.27 -0.29 1.87 -0.29 0.41 0.00 0.00 173.24 175.22 3cys h ILE 78 N 0.92 0.79 -0.00 1.44 -0.00 -1.92 -0.03 117.51 118.71 3cys h ILE 78 Ca -0.49 -0.21 0.00 0.00 -0.00 0.00 0.00 64.86 64.17 3cys h ILE 78 Cb 1.21 0.14 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 3cys h ILE 78 CO 0.63 0.11 -0.27 -1.22 -0.00 0.00 0.00 178.15 177.40 3cys n TYR 79 N -4.55 0.00 0.00 2.19 4.01 -1.26 -5.00 117.16 112.55 3cys n TYR 79 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3cys n TYR 79 Cb 0.53 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 3cys n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cys n GLY 80 N 1.41 -0.05 0.06 2.72 0.00 -0.02 -4.89 105.19 104.43 3cys n GLY 80 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3cys n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 81 N 0.00 1.01 -4.31 1.61 2.13 -1.26 0.83 120.64 120.65 3cys n GLU 81 Ca 0.00 0.05 -0.16 0.00 0.66 0.00 0.00 57.16 57.71 3cys n GLU 81 Cb 0.00 -1.28 -0.10 0.00 0.27 0.00 0.00 31.44 30.33 3cys n GLU 81 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3cys s LYS 82 N -2.28 1.39 -0.11 5.31 1.02 -1.26 -3.70 119.74 120.11 3cys s LYS 82 Ca -0.14 -1.74 -0.30 0.00 0.02 0.00 0.00 55.97 53.80 3cys s LYS 82 Cb 0.04 -0.30 0.11 0.00 -0.52 0.00 0.00 37.83 37.16 3cys s LYS 82 CO 0.37 -0.27 0.88 0.12 -0.92 0.00 0.00 175.35 175.53 3cys s PHE 83 N -3.72 -0.47 0.99 3.18 5.36 -1.26 -4.76 117.98 117.30 3cys s PHE 83 Ca 0.36 0.77 -0.11 0.00 -0.96 0.00 0.00 56.93 56.99 3cys s PHE 83 Cb 0.08 0.44 0.19 0.00 -0.34 0.00 0.00 43.02 43.39 3cys s PHE 83 CO 0.13 -0.45 1.10 -1.21 -1.46 0.00 0.00 175.22 173.33 3cys s GLU 84 N -1.27 0.42 0.00 10.12 2.02 -1.26 -4.10 118.70 124.63 3cys s GLU 84 Ca -0.04 1.26 0.29 0.00 0.02 0.00 0.00 54.97 56.49 3cys s GLU 84 Cb -0.00 -1.68 1.18 0.00 0.10 0.00 0.00 34.13 33.73 3cys s GLU 84 CO 0.04 -2.94 1.87 -0.25 0.02 0.00 0.00 175.26 173.99 3cys n ASP 85 N -4.42 0.12 0.00 -0.19 9.92 -1.26 -4.81 116.55 115.91 3cys n ASP 85 Ca 0.08 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 3cys n ASP 85 Cb 0.53 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 3cys n ASP 85 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3cys n GLU 86 N -1.40 0.00 -3.98 -1.24 0.00 -1.26 -4.73 120.64 108.03 3cys n GLU 86 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.30 3cys n GLU 86 Cb 0.32 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.76 3cys n GLU 86 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3cys n ASN 87 N 3.40 -0.97 -2.52 4.31 0.23 -1.26 -5.05 115.26 113.40 3cys n ASN 87 Ca 0.00 -1.00 -0.12 0.00 -0.53 0.00 0.00 54.58 52.93 3cys n ASN 87 Cb 0.00 1.45 0.03 0.00 -2.08 0.00 0.00 39.78 39.18 3cys n ASN 87 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3cys n PHE 88 N -0.96 1.93 -0.37 -2.53 3.72 -1.26 -4.72 117.46 113.26 3cys n PHE 88 Ca 0.07 -2.37 -0.01 0.00 -0.05 0.00 0.00 57.45 55.09 3cys n PHE 88 Cb 0.56 -0.27 0.12 0.00 -0.94 0.00 0.00 39.48 38.95 3cys n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3cys h ILE 89 N 3.85 1.24 -3.45 4.37 2.04 -1.94 -3.43 117.51 120.19 3cys h ILE 89 Ca 0.07 -0.46 -0.47 0.00 1.00 0.00 0.00 64.86 65.00 3cys h ILE 89 Cb 1.30 -0.21 0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3cys h ILE 89 CO 0.48 0.24 0.11 -0.76 0.00 0.00 0.00 178.15 178.22 3cys s LEU 90 N -10.11 3.39 0.37 1.44 1.02 -1.26 -5.10 118.68 108.43 3cys s LEU 90 Ca -0.13 0.67 0.04 0.00 0.02 0.00 0.00 54.13 54.72 3cys s LEU 90 Cb 0.18 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 42.83 3cys s LEU 90 CO 0.82 -0.90 0.12 -0.54 0.02 0.00 0.00 176.35 175.87 3cys s LYS 91 N -4.85 1.81 -0.87 1.70 1.02 -1.26 -4.50 119.74 112.79 3cys s LYS 91 Ca 0.51 -2.08 -0.19 0.00 0.02 0.00 0.00 55.97 54.24 3cys s LYS 91 Cb -0.10 -0.56 0.13 0.00 -0.52 0.00 0.00 37.83 36.78 3cys s LYS 91 CO 0.44 -0.42 1.05 -1.01 -0.92 0.00 0.00 175.35 174.48 3cys s HIS 92 N -3.30 3.12 0.10 3.18 3.76 -1.26 -4.83 115.29 116.05 3cys s HIS 92 Ca 0.28 -1.33 0.33 0.00 -0.15 0.00 0.00 55.06 54.20 3cys s HIS 92 Cb 0.04 -4.22 1.52 0.00 1.11 0.00 0.00 32.58 31.03 3cys s HIS 92 CO 0.15 -1.45 2.00 1.79 -0.85 0.00 0.00 174.74 176.38 3cys h THR 93 N 5.76 0.00 0.00 1.30 1.35 -1.95 -3.45 112.91 115.91 3cys h THR 93 Ca 0.07 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3cys h THR 93 Cb 1.04 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3cys h THR 93 CO 1.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.96 3cys n GLY 94 N -0.32 0.36 3.76 5.82 0.00 -1.26 -4.99 105.19 108.55 3cys n GLY 94 Ca -0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3cys n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 95 N -2.00 4.64 0.00 1.61 0.04 -1.20 -3.98 135.00 134.10 3cys s PRO 95 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3cys s PRO 95 Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3cys s PRO 95 CO 0.00 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.67 3cys n GLY 96 N 1.17 1.60 3.41 0.56 0.00 0.47 -4.88 105.19 107.51 3cys n GLY 96 Ca -0.01 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3cys n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cys s ILE 97 N -2.01 2.74 -0.60 -0.61 1.09 -1.18 -0.84 121.20 119.79 3cys s ILE 97 Ca 0.00 -0.84 -0.20 0.00 -1.10 0.00 0.00 60.65 58.51 3cys s ILE 97 Cb 0.00 -2.05 0.09 0.00 -1.06 0.00 0.00 42.46 39.44 3cys s ILE 97 CO 0.00 0.58 0.77 -0.22 -0.10 0.00 0.00 174.94 175.96 3cys s LEU 98 N -0.52 5.04 0.51 2.97 2.96 -0.22 -2.22 118.68 127.21 3cys s LEU 98 Ca 0.07 -1.22 0.06 0.00 -0.22 0.00 0.00 54.13 52.82 3cys s LEU 98 Cb -0.11 -2.37 0.02 0.00 0.50 0.00 0.00 46.19 44.23 3cys s LEU 98 CO 0.01 -1.17 0.41 -0.94 -1.32 0.00 0.00 176.35 173.34 3cys s SER 99 N 3.49 4.72 0.01 3.68 1.04 -1.12 -1.98 113.70 123.53 3cys s SER 99 Ca 0.15 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.48 3cys s SER 99 Cb -0.21 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 3cys s SER 99 CO 0.08 -1.00 -0.04 0.00 0.98 0.00 0.00 173.24 173.27 3cys s MET 100 N -4.25 0.28 0.63 4.02 0.23 -0.12 -0.33 119.30 119.76 3cys s MET 100 Ca 0.39 -0.24 0.05 0.00 -1.03 0.00 0.00 55.69 54.86 3cys s MET 100 Cb -0.02 -0.20 0.10 0.00 -1.53 0.00 0.00 34.83 33.17 3cys s MET 100 CO 0.24 0.05 0.87 0.00 -2.03 0.00 0.00 175.02 174.15 3cys s ALA 101 N -0.38 4.22 0.00 3.16 0.00 -1.26 -4.34 121.76 123.17 3cys s ALA 101 Ca -0.02 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.03 3cys s ALA 101 Cb -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3cys s ALA 101 CO -0.00 -1.10 0.00 0.27 0.00 0.00 0.00 175.76 174.93 3cys n ASN 102 N -2.49 0.00 -2.58 0.00 0.23 -1.26 -4.71 115.26 104.45 3cys n ASN 102 Ca 0.15 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.86 3cys n ASN 102 Cb 0.61 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.34 3cys n ASN 102 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cys n ALA 103 N -0.08 5.88 0.00 -2.53 0.00 -1.26 -5.01 120.51 117.52 3cys n ALA 103 Ca 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.41 3cys n ALA 103 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3cys n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cys n GLY 104 N -0.61 1.01 3.70 0.00 0.00 -1.26 -4.92 105.19 103.11 3cys n GLY 104 Ca 0.50 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 3cys n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 105 N -1.04 4.40 -1.25 1.61 0.04 -1.26 -3.48 135.00 134.03 3cys s PRO 105 Ca 0.00 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.73 3cys s PRO 105 Cb 0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3cys s PRO 105 CO 0.00 -0.33 0.98 -1.71 0.04 0.00 0.00 177.00 175.99 3cys n ASN 106 N 4.49 -2.65 -0.01 6.66 2.85 -1.26 -4.89 115.26 120.44 3cys n ASN 106 Ca 0.10 -0.64 -0.01 0.00 -0.11 0.00 0.00 54.58 53.92 3cys n ASN 106 Cb 0.47 -4.92 -0.01 0.00 1.24 0.00 0.00 39.78 36.55 3cys n ASN 106 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3cys n THR 107 N -4.30 0.12 -4.31 -0.44 -1.04 -1.23 -4.35 114.28 98.73 3cys n THR 107 Ca -0.24 -0.07 -0.18 0.00 -2.04 0.00 0.00 64.05 61.52 3cys n THR 107 Cb 0.65 -0.90 -0.14 0.00 -1.82 0.00 0.00 70.33 68.11 3cys n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3cys s ASN 108 N -3.36 0.99 -0.10 8.00 -0.87 -1.26 -4.57 114.94 113.77 3cys s ASN 108 Ca -0.01 -0.18 0.11 0.00 -1.57 0.00 0.00 52.86 51.20 3cys s ASN 108 Cb 0.01 -0.10 0.24 0.00 -0.02 0.00 0.00 41.25 41.37 3cys s ASN 108 CO 0.07 0.08 1.17 0.61 -2.57 0.00 0.00 177.10 176.46 3cys n GLY 109 N 2.76 1.09 2.70 0.66 0.00 -1.26 -4.23 105.19 106.91 3cys n GLY 109 Ca -0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 3cys n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cys n SER 110 N -0.30 -0.60 -3.67 1.61 2.88 -1.26 -4.25 113.62 108.03 3cys n SER 110 Ca -0.15 -2.46 -0.10 0.00 -1.33 0.00 0.00 58.87 54.84 3cys n SER 110 Cb 0.85 0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 64.68 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cys s GLN 111 N -1.10 1.33 -0.16 -1.46 -2.07 -1.26 -4.14 119.66 110.81 3cys s GLN 111 Ca 0.22 -0.78 -0.22 0.00 -1.82 0.00 0.00 55.36 52.76 3cys s GLN 111 Cb 0.42 0.53 0.06 0.00 -1.09 0.00 0.00 33.01 32.92 3cys s GLN 111 CO -0.05 -0.57 0.58 -0.59 -1.32 0.00 0.00 175.29 173.34 3cys s PHE 112 N -3.84 -0.60 -0.18 9.60 -0.12 -1.26 -4.57 117.98 117.00 3cys s PHE 112 Ca 0.07 1.34 -0.01 0.00 -0.05 0.00 0.00 56.93 58.28 3cys s PHE 112 Cb -0.01 0.25 0.05 0.00 -0.63 0.00 0.00 43.02 42.68 3cys s PHE 112 CO -0.06 -0.39 -0.02 -0.06 -0.05 0.00 0.00 175.22 174.65 3cys s PHE 113 N -0.21 1.51 -0.82 3.49 0.40 0.55 -3.82 117.98 119.08 3cys s PHE 113 Ca -0.04 -1.05 -0.26 0.00 -0.60 0.00 0.00 56.93 54.98 3cys s PHE 113 Cb -0.03 -1.22 0.03 0.00 0.51 0.00 0.00 43.02 42.31 3cys s PHE 113 CO 0.03 -0.62 1.35 0.42 0.70 0.00 0.00 175.22 177.10 3cys s ILE 114 N 1.70 3.77 0.05 0.64 1.01 0.21 -2.81 121.20 125.76 3cys s ILE 114 Ca -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 3cys s ILE 114 Cb -0.16 -4.93 -0.08 0.00 0.01 0.00 0.00 42.46 37.29 3cys s ILE 114 CO -0.07 -1.85 1.77 0.00 0.00 0.00 0.00 174.94 174.78 3cys n THR 116 N 5.10 2.13 0.00 0.00 -1.04 -0.64 -0.40 114.28 119.43 3cys n THR 116 Ca 0.18 -4.38 0.00 0.00 -2.04 0.00 0.00 64.05 57.81 3cys n THR 116 Cb 0.41 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys n ALA 117 N -0.47 0.00 -2.55 2.41 0.00 -1.19 -4.32 120.51 114.39 3cys n ALA 117 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 3cys n ALA 117 Cb 0.76 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.18 3cys n ALA 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3cys s LYS 118 N -2.00 3.40 -0.92 0.00 2.20 -1.26 -3.25 119.74 117.90 3cys s LYS 118 Ca 0.00 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3cys s LYS 118 Cb 0.00 -4.81 0.24 0.00 -1.51 0.00 0.00 37.83 31.75 3cys s LYS 118 CO 0.00 -2.19 0.89 0.25 -0.36 0.00 0.00 175.35 173.94 3cys n THR 119 N 6.66 3.37 1.21 3.43 -2.24 -1.26 -4.83 114.28 120.61 3cys n THR 119 Ca 0.19 -5.24 0.14 0.00 -2.27 0.00 0.00 64.05 56.88 3cys n THR 119 Cb 0.50 -2.35 0.61 0.00 -2.10 0.00 0.00 70.33 66.99 3cys n THR 119 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3cys n GLU 120 N 2.11 0.27 -0.03 -0.78 0.28 -1.26 -2.54 120.64 118.70 3cys n GLU 120 Ca 0.23 -0.05 0.13 0.00 -0.16 0.00 0.00 57.16 57.30 3cys n GLU 120 Cb 0.37 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.05 3cys n GLU 120 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 3cys n TRP 121 N -1.32 0.07 -1.31 -1.84 2.14 -1.26 -3.52 117.44 110.41 3cys n TRP 121 Ca 0.10 -0.04 0.06 0.00 2.07 0.00 0.00 57.50 59.70 3cys n TRP 121 Cb 0.30 0.00 0.09 0.00 -0.81 0.00 0.00 31.31 30.89 3cys n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3cys n LEU 122 N 0.80 1.56 -4.74 5.67 4.77 -1.05 -5.02 117.00 118.98 3cys n LEU 122 Ca 0.17 -2.34 -0.41 0.00 -0.03 0.00 0.00 56.01 53.40 3cys n LEU 122 Cb 0.48 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 3cys n LEU 122 CO 0.15 0.54 0.84 -0.62 -1.33 0.00 0.00 177.39 176.98 3cys s ASP 123 N -2.16 7.18 0.00 -1.43 2.15 -1.20 -3.87 116.67 117.34 3cys s ASP 123 Ca 0.20 2.18 0.00 0.00 0.43 0.00 0.00 52.55 55.36 3cys s ASP 123 Cb 0.18 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3cys s ASP 123 CO 0.02 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3cys n GLY 124 N 2.00 1.59 0.31 2.66 0.00 -1.26 -4.67 105.19 105.82 3cys n GLY 124 Ca 0.03 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3cys n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3cys h LYS 125 N 0.00 0.07 -0.69 1.61 3.11 -1.95 0.64 116.57 119.36 3cys h LYS 125 Ca 0.00 -0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.54 3cys h LYS 125 Cb 0.00 -0.01 -0.17 0.00 -1.00 0.00 0.00 32.23 31.04 3cys h LYS 125 CO 0.00 0.04 0.29 0.72 -2.81 0.00 0.00 179.45 177.69 3cys n HIS 126 N -5.41 2.19 -1.21 1.91 8.25 -1.25 -5.02 115.22 114.67 3cys n HIS 126 Ca 0.17 -1.50 0.05 0.00 -0.26 0.00 0.00 57.72 56.18 3cys n HIS 126 Cb 0.58 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 3cys n HIS 126 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3cys n VAL 127 N -0.78 -1.76 -3.68 1.59 0.31 0.21 -0.95 118.33 113.27 3cys n VAL 127 Ca 0.44 1.02 -0.16 0.00 -0.01 0.00 0.00 64.34 65.62 3cys n VAL 127 Cb 1.36 -1.65 -0.15 0.00 -0.91 0.00 0.00 33.84 32.48 3cys n VAL 127 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cys s VAL 128 N -4.75 -0.22 -0.01 2.52 1.01 -1.26 -4.01 120.40 113.68 3cys s VAL 128 Ca 0.00 0.33 0.25 0.00 0.00 0.00 0.00 61.98 62.55 3cys s VAL 128 Cb 0.00 -0.28 0.41 0.00 0.00 0.00 0.00 36.38 36.51 3cys s VAL 128 CO 0.00 0.14 1.16 2.22 0.00 0.00 0.00 175.10 178.62 3cys n PHE 129 N 5.12 0.06 0.00 5.22 -1.74 -0.84 -4.56 117.46 120.72 3cys n PHE 129 Ca -0.09 -0.59 0.00 0.00 -0.56 0.00 0.00 57.45 56.22 3cys n PHE 129 Cb 0.50 -0.12 0.00 0.00 1.52 0.00 0.00 39.48 41.38 3cys n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3cys n GLY 130 N 0.41 0.62 3.08 4.97 0.00 -1.22 -3.94 105.19 109.12 3cys n GLY 130 Ca 0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3cys n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 131 N -2.00 0.31 0.05 1.61 2.20 -0.97 -1.06 119.74 119.88 3cys s LYS 131 Ca 0.00 0.03 -0.31 0.00 -0.36 0.00 0.00 55.97 55.34 3cys s LYS 131 Cb 0.00 0.14 -0.07 0.00 -1.51 0.00 0.00 37.83 36.39 3cys s LYS 131 CO 0.00 -0.06 1.44 0.08 -0.36 0.00 0.00 175.35 176.45 3cys s VAL 132 N -0.41 3.48 -0.82 4.02 1.01 -0.02 -0.61 120.40 127.05 3cys s VAL 132 Ca -0.05 0.95 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 3cys s VAL 132 Cb -0.03 -3.61 0.20 0.00 0.00 0.00 0.00 36.38 32.94 3cys s VAL 132 CO 0.01 0.02 0.68 -0.75 0.00 0.00 0.00 175.10 175.06 3cys s LYS 133 N 2.01 3.01 -0.65 2.72 2.20 -0.06 -4.74 119.74 124.23 3cys s LYS 133 Ca 0.66 -3.22 -0.04 0.00 -0.36 0.00 0.00 55.97 53.00 3cys s LYS 133 Cb -0.34 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 3cys s LYS 133 CO 0.29 -1.26 0.57 -1.91 -0.36 0.00 0.00 175.35 172.68 3cys n GLU 134 N 2.35 -1.39 -0.97 4.03 2.13 -1.26 -4.56 120.64 120.97 3cys n GLU 134 Ca 0.20 0.54 -0.02 0.00 0.66 0.00 0.00 57.16 58.54 3cys n GLU 134 Cb 0.36 -4.19 -0.03 0.00 0.27 0.00 0.00 31.44 27.86 3cys n GLU 134 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cys n GLY 135 N -1.33 0.73 0.12 8.31 0.00 -1.26 -4.58 105.19 107.17 3cys n GLY 135 Ca -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.76 3cys n GLY 135 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cys h MET 136 N 0.25 0.00 -0.53 1.61 2.86 -1.93 -2.94 114.93 114.25 3cys h MET 136 Ca -0.30 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 3cys h MET 136 Cb 1.45 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 3cys h MET 136 CO -0.10 0.65 -0.11 -2.95 1.06 0.00 0.00 176.91 175.46 3cys h ASN 137 N 0.00 1.01 0.13 1.22 -1.07 -1.97 0.28 115.58 115.18 3cys h ASN 137 Ca -0.01 -0.33 -0.20 0.00 0.07 0.00 0.00 56.30 55.83 3cys h ASN 137 Cb 1.38 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 3cys h ASN 137 CO 0.08 1.12 -0.76 0.40 0.07 0.00 0.00 177.43 178.34 3cys h ILE 138 N 0.90 1.35 -0.53 6.14 1.08 -1.89 0.00 117.51 124.55 3cys h ILE 138 Ca 0.14 -2.10 -0.06 0.00 -0.39 0.00 0.00 64.86 62.44 3cys h ILE 138 Cb 0.67 2.09 -0.02 0.00 -3.07 0.00 0.00 36.82 36.49 3cys h ILE 138 CO 0.05 0.64 0.09 0.58 -0.69 0.00 0.00 178.15 178.82 3cys h VAL 139 N 0.36 1.25 -0.28 1.67 2.07 -1.29 -2.52 116.25 117.52 3cys h VAL 139 Ca -0.04 -0.95 -0.14 0.00 0.82 0.00 0.00 66.70 66.39 3cys h VAL 139 Cb 1.36 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3cys h VAL 139 CO 0.14 0.34 -0.39 -0.08 0.02 0.00 0.00 177.57 177.60 3cys h GLU 140 N 0.77 0.65 0.28 1.57 4.81 -0.35 -2.25 114.58 120.05 3cys h GLU 140 Ca 0.16 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3cys h GLU 140 Cb 0.41 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3cys h GLU 140 CO 0.01 0.93 -0.31 0.00 -0.73 0.00 0.00 179.01 178.92 3cys h ALA 141 N 1.03 -0.63 0.00 2.92 0.00 -0.74 0.14 119.26 121.98 3cys h ALA 141 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3cys h ALA 141 Cb 0.91 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3cys h ALA 141 CO 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 179.25 178.44 3cys h MET 142 N -0.62 0.00 -0.09 0.00 -0.00 -1.45 -2.07 114.93 110.70 3cys h MET 142 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.61 3cys h MET 142 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 3cys h MET 142 CO -0.08 0.00 -0.25 1.49 -0.00 0.00 0.00 176.91 178.07 3cys h GLU 143 N 0.00 0.32 0.00 -0.10 4.81 -0.71 -3.13 114.58 115.77 3cys h GLU 143 Ca 0.00 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 3cys h GLU 143 Cb 0.51 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 3cys h GLU 143 CO 0.00 0.85 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.88 3cys h ARG 144 N -0.15 0.00 -0.08 1.92 2.43 -0.19 -0.93 114.38 117.38 3cys h ARG 144 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3cys h ARG 144 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3cys h ARG 144 CO 0.05 0.16 0.00 1.19 -1.51 0.00 0.00 179.97 179.87 3cys n PHE 145 N -3.69 0.10 0.00 2.20 3.72 -0.83 -4.80 117.46 114.15 3cys n PHE 145 Ca -0.02 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 3cys n PHE 145 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3cys n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cys n GLY 146 N 0.97 -0.82 0.00 1.37 0.00 -0.35 -1.01 105.19 105.35 3cys n GLY 146 Ca 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3cys n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 147 N 0.00 0.00 0.00 1.61 7.64 -1.13 -4.72 113.62 117.02 3cys n SER 147 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3cys n SER 147 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3cys n SER 147 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3cys n ARG 148 N -0.44 0.00 0.26 1.43 0.63 -1.24 -4.83 116.66 112.48 3cys n ARG 148 Ca 0.00 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.07 3cys n ARG 148 Cb 0.00 0.00 0.70 0.00 0.45 0.00 0.00 32.46 33.61 3cys n ARG 148 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 3cys h ASN 149 N 0.82 0.00 0.00 6.15 7.08 -1.97 -3.46 115.58 124.21 3cys h ASN 149 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3cys h ASN 149 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 3cys h ASN 149 CO 0.00 0.11 0.00 0.61 -2.08 0.00 0.00 177.43 176.07 3cys n GLY 150 N -0.34 0.95 3.34 9.14 0.00 -1.26 -5.07 105.19 111.95 3cys n GLY 150 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3cys n GLY 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cys s LYS 151 N 0.00 0.95 -0.15 1.61 1.02 -1.26 -4.81 119.74 117.10 3cys s LYS 151 Ca 0.00 -0.30 -0.09 0.00 0.02 0.00 0.00 55.97 55.59 3cys s LYS 151 Cb 0.00 0.43 0.05 0.00 -0.52 0.00 0.00 37.83 37.79 3cys s LYS 151 CO 0.00 -0.33 0.37 -0.08 -0.92 0.00 0.00 175.35 174.39 3cys s THR 152 N -2.39 -0.02 -0.08 2.17 -1.32 -1.26 -2.83 115.64 109.91 3cys s THR 152 Ca -0.06 0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.49 3cys s THR 152 Cb -0.01 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 3cys s THR 152 CO -0.02 0.03 0.05 -1.54 -2.21 0.00 0.00 174.62 170.93 3cys n SER 153 N 3.88 -0.31 0.00 8.08 3.41 -0.18 -2.37 113.62 126.12 3cys n SER 153 Ca -0.21 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3cys n SER 153 Cb 0.55 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3cys n SER 153 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3cys n LYS 154 N -0.99 0.00 -3.78 4.33 4.81 -1.26 -4.57 118.16 116.69 3cys n LYS 154 Ca -0.01 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.30 3cys n LYS 154 Cb 0.04 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.98 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3cys s LYS 155 N 0.00 0.31 -0.11 1.64 1.02 -1.00 -5.05 119.74 116.55 3cys s LYS 155 Ca 0.00 0.36 0.04 0.00 0.02 0.00 0.00 55.97 56.38 3cys s LYS 155 Cb 0.00 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 3cys s LYS 155 CO 0.00 -0.04 -0.23 0.42 -0.92 0.00 0.00 175.35 174.58 3cys s ILE 156 N 0.13 1.99 -0.05 2.17 -1.09 -1.26 -3.43 121.20 119.66 3cys s ILE 156 Ca -0.00 -0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 57.34 3cys s ILE 156 Cb -0.02 -1.74 0.02 0.00 -1.58 0.00 0.00 42.46 39.15 3cys s ILE 156 CO 0.00 0.54 0.26 0.42 -1.23 0.00 0.00 174.94 174.93 3cys s THR 157 N 0.46 0.04 0.23 2.92 -4.23 -0.73 -3.45 115.64 110.88 3cys s THR 157 Ca -0.16 -0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 3cys s THR 157 Cb -0.17 -0.47 -0.09 0.00 1.34 0.00 0.00 72.50 73.11 3cys s THR 157 CO 0.06 -0.17 1.10 -0.63 -0.54 0.00 0.00 174.62 174.45 3cys s ILE 158 N -0.68 3.67 -0.18 2.99 1.01 -1.26 -0.77 121.20 125.98 3cys s ILE 158 Ca -0.08 1.55 -0.14 0.00 0.00 0.00 0.00 60.65 61.98 3cys s ILE 158 Cb -0.04 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 3cys s ILE 158 CO 0.02 0.32 -0.11 0.00 0.00 0.00 0.00 174.94 175.17 3cys n ALA 159 N 1.82 0.66 -3.46 9.38 0.00 -0.95 -4.36 120.51 123.60 3cys n ALA 159 Ca 0.01 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 3cys n ALA 159 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 3cys n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cys s ASP 160 N -6.23 -0.54 0.05 0.00 1.11 -1.25 -4.69 116.67 105.12 3cys s ASP 160 Ca -0.23 -0.06 -0.01 0.00 0.18 0.00 0.00 52.55 52.43 3cys s ASP 160 Cb 0.04 0.61 -0.04 0.00 1.07 0.00 0.00 42.92 44.61 3cys s ASP 160 CO 0.38 -1.01 -0.03 0.00 1.18 0.00 0.00 175.17 175.69 3cys s GLY 162 N -2.93 -0.53 -0.20 0.00 0.00 -1.05 -4.33 107.32 98.29 3cys s GLY 162 Ca 0.08 1.37 -0.10 0.00 0.00 0.00 0.00 44.72 46.07 3cys s GLY 162 CO -0.09 0.91 0.12 1.62 0.00 0.00 0.00 173.10 175.65 3cys s GLN 163 N -1.38 4.14 -1.27 2.90 0.74 -1.26 -1.92 119.66 121.61 3cys s GLN 163 Ca -0.08 -0.25 -0.15 0.00 0.05 0.00 0.00 55.36 54.93 3cys s GLN 163 Cb -0.00 -3.39 0.12 0.00 1.10 0.00 0.00 33.01 30.84 3cys s GLN 163 CO 0.07 0.28 1.65 1.28 -0.55 0.00 0.00 175.29 178.02 3cys n LEU 164 N 3.57 5.28 0.00 3.68 4.77 0.12 -5.00 117.00 129.42 3cys n LEU 164 Ca -0.16 -4.21 0.04 0.00 -0.03 0.00 0.00 56.01 51.65 3cys n LEU 164 Cb 0.52 -1.67 0.25 0.00 -2.33 0.00 0.00 43.42 40.19 3cys n LEU 164 CO 0.37 0.53 0.48 -0.62 -1.33 0.00 0.00 177.39 176.81