#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys s VAL 2 N 0.00 0.01 -0.42 2.03 0.11 -1.26 -5.02 120.40 115.85 3cys s VAL 2 Ca 0.00 -0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.00 3cys s VAL 2 Cb 0.00 -0.90 0.17 0.00 -1.53 0.00 0.00 36.38 34.12 3cys s VAL 2 CO 0.00 -0.05 0.39 0.54 -3.33 0.00 0.00 175.10 172.65 3cys s ASN 3 N -0.92 1.05 0.34 3.54 2.20 -1.26 -2.07 114.94 117.81 3cys s ASN 3 Ca -0.09 -2.87 -0.27 0.00 -0.94 0.00 0.00 52.86 48.69 3cys s ASN 3 Cb -0.02 -0.12 -0.09 0.00 -2.00 0.00 0.00 41.25 39.02 3cys s ASN 3 CO 0.07 -0.16 1.07 -2.16 -2.94 0.00 0.00 177.10 172.98 3cys s PRO 4 N 0.20 4.42 0.48 3.55 0.04 -1.24 -4.74 135.00 137.70 3cys s PRO 4 Ca 0.32 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 3cys s PRO 4 Cb 0.03 -2.88 -0.06 0.00 0.04 0.00 0.00 34.50 31.63 3cys s PRO 4 CO -0.17 0.05 0.86 0.99 0.04 0.00 0.00 177.00 178.77 3cys s THR 5 N -1.40 4.74 -0.06 1.26 2.01 -1.24 -4.14 115.64 116.81 3cys s THR 5 Ca 0.51 0.71 0.03 0.00 0.31 0.00 0.00 61.69 63.25 3cys s THR 5 Cb -0.27 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.47 3cys s THR 5 CO 0.34 -0.71 -0.15 0.68 -0.69 0.00 0.00 174.62 174.09 3cys s VAL 6 N -2.62 1.33 0.12 3.82 -7.23 -0.01 -0.64 120.40 115.17 3cys s VAL 6 Ca 0.53 -0.61 -0.15 0.00 -1.81 0.00 0.00 61.98 59.93 3cys s VAL 6 Cb -0.10 -1.18 -0.07 0.00 0.56 0.00 0.00 36.38 35.59 3cys s VAL 6 CO 0.37 0.39 0.54 0.72 -0.31 0.00 0.00 175.10 176.81 3cys s PHE 7 N 0.43 3.65 -0.15 2.82 -0.12 -0.34 -0.70 117.98 123.59 3cys s PHE 7 Ca -0.12 1.08 -0.04 0.00 -0.05 0.00 0.00 56.93 57.80 3cys s PHE 7 Cb -0.15 -2.38 0.05 0.00 -0.63 0.00 0.00 43.02 39.92 3cys s PHE 7 CO 0.04 0.48 0.07 -0.06 -0.05 0.00 0.00 175.22 175.69 3cys s PHE 8 N -1.37 0.38 -0.18 3.49 0.40 -1.26 -2.64 117.98 116.79 3cys s PHE 8 Ca 0.35 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 56.22 3cys s PHE 8 Cb -0.16 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 3cys s PHE 8 CO 0.19 -0.47 0.32 0.34 0.70 0.00 0.00 175.22 176.30 3cys s ASP 9 N 2.07 6.40 -0.14 1.36 -1.08 -0.89 -1.17 116.67 123.22 3cys s ASP 9 Ca 0.02 0.47 -0.06 0.00 -0.52 0.00 0.00 52.55 52.46 3cys s ASP 9 Cb -0.15 -2.19 -0.04 0.00 -1.46 0.00 0.00 42.92 39.07 3cys s ASP 9 CO -0.08 0.02 0.09 -0.63 0.52 0.00 0.00 175.17 175.10 3cys s ILE 10 N 0.87 5.04 -0.11 4.11 1.09 -0.60 -2.18 121.20 129.43 3cys s ILE 10 Ca 0.17 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.76 3cys s ILE 10 Cb -0.14 -3.22 0.02 0.00 -1.06 0.00 0.00 42.46 38.06 3cys s ILE 10 CO 0.06 0.55 -0.10 0.00 -0.10 0.00 0.00 174.94 175.34 3cys s ALA 11 N -0.42 1.44 -0.44 9.38 0.00 -0.58 -1.19 121.76 129.95 3cys s ALA 11 Ca 0.10 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.38 3cys s ALA 11 Cb -0.12 -0.86 0.10 0.00 0.00 0.00 0.00 23.12 22.24 3cys s ALA 11 CO 0.02 -0.28 0.29 0.08 0.00 0.00 0.00 175.76 175.86 3cys s VAL 12 N 1.41 4.12 -0.31 0.00 1.01 0.92 -0.65 120.40 126.91 3cys s VAL 12 Ca 0.00 -1.62 -0.20 0.00 0.00 0.00 0.00 61.98 60.16 3cys s VAL 12 Cb -0.13 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3cys s VAL 12 CO -0.06 -0.63 0.40 0.47 0.00 0.00 0.00 175.10 175.28 3cys n ASP 13 N 4.88 -6.54 -4.20 3.32 8.00 0.43 -2.81 116.55 119.62 3cys n ASP 13 Ca -0.08 0.31 -0.32 0.00 0.71 0.00 0.00 54.79 55.41 3cys n ASP 13 Cb 0.42 -2.77 -0.05 0.00 -0.02 0.00 0.00 41.12 38.69 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 0.29 -0.27 2.97 0.44 0.00 -1.26 -4.91 105.19 102.44 3cys n GLY 14 Ca -0.02 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 -6.97 0.43 -0.29 1.61 2.12 -1.12 -5.12 118.70 109.35 3cys s GLU 15 Ca 0.29 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.73 3cys s GLU 15 Cb -0.16 -0.19 -0.00 0.00 0.26 0.00 0.00 34.13 34.03 3cys s GLU 15 CO 0.95 -0.87 1.35 -1.25 -0.54 0.00 0.00 175.26 174.89 3cys s PRO 16 N 2.61 3.89 0.01 4.30 0.04 -1.26 -0.05 135.00 144.54 3cys s PRO 16 Ca 0.12 1.29 -0.20 0.00 0.04 0.00 0.00 61.00 62.25 3cys s PRO 16 Cb -0.13 -3.91 -0.20 0.00 0.04 0.00 0.00 34.50 30.30 3cys s PRO 16 CO -0.24 -1.16 1.16 -0.07 0.04 0.00 0.00 177.00 176.73 3cys h LEU 17 N 11.03 0.49 0.00 -3.56 -0.00 -1.54 -3.49 115.31 118.24 3cys h LEU 17 Ca -0.27 -0.69 0.00 0.00 -0.00 0.00 0.00 57.88 56.92 3cys h LEU 17 Cb 1.11 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 3cys h LEU 17 CO 1.03 1.10 0.00 0.61 -0.00 0.00 0.00 178.44 181.18 3cys n GLY 18 N 0.83 -0.23 3.38 0.83 0.00 -1.24 -4.97 105.19 103.78 3cys n GLY 18 Ca -0.09 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.00 3.44 -0.05 1.61 0.52 -1.26 -1.56 118.95 119.66 3cys s ARG 19 Ca 0.00 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 3cys s ARG 19 Cb 0.00 -2.83 -0.00 0.00 0.52 0.00 0.00 34.95 32.64 3cys s ARG 19 CO 0.00 0.07 -0.03 0.28 0.02 0.00 0.00 175.30 175.64 3cys h VAL 20 N 5.46 0.00 -0.11 3.52 2.07 -1.34 -3.37 116.25 122.48 3cys h VAL 20 Ca -0.33 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3cys h VAL 20 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3cys h VAL 20 CO 0.59 0.00 -0.03 -1.20 0.02 0.00 0.00 177.57 176.96 3cys n SER 21 N -3.13 -1.81 -4.20 0.57 7.64 -1.26 -3.05 113.62 108.39 3cys n SER 21 Ca -0.01 0.04 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 3cys n SER 21 Cb 0.04 0.84 -0.16 0.00 -1.01 0.00 0.00 64.21 63.92 3cys n SER 21 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3cys s PHE 22 N -1.43 2.19 0.46 1.43 0.08 0.13 -3.05 117.98 117.79 3cys s PHE 22 Ca 0.00 -0.73 0.40 0.00 0.12 0.00 0.00 56.93 56.72 3cys s PHE 22 Cb 0.00 -1.47 2.10 0.00 -0.57 0.00 0.00 43.02 43.09 3cys s PHE 22 CO 0.00 -0.26 2.22 0.93 -0.10 0.00 0.00 175.22 178.01 3cys h GLU 23 N 6.36 0.00 -6.17 0.44 5.08 -1.42 0.02 114.58 118.88 3cys h GLU 23 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3cys h GLU 23 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3cys h GLU 23 CO 0.47 0.00 -0.85 1.28 -1.00 0.00 0.00 179.01 178.91 3cys n LEU 24 N -2.98 -4.29 -3.95 1.33 4.32 -1.26 -3.67 117.00 106.50 3cys n LEU 24 Ca -0.02 0.65 -0.39 0.00 -0.02 0.00 0.00 56.01 56.23 3cys n LEU 24 Cb 0.11 -1.80 -0.05 0.00 -1.62 0.00 0.00 43.42 40.06 3cys n LEU 24 CO 0.20 -1.90 1.98 0.49 -1.22 0.00 0.00 177.39 176.94 3cys n PHE 25 N 1.44 2.40 0.25 -1.77 3.01 0.75 -4.08 117.46 119.46 3cys n PHE 25 Ca -0.01 -1.86 0.14 0.00 1.01 0.00 0.00 57.45 56.73 3cys n PHE 25 Cb 0.37 -2.08 0.41 0.00 -0.01 0.00 0.00 39.48 38.17 3cys n PHE 25 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cys h ALA 26 N 8.24 1.00 -0.61 4.37 0.00 -1.78 -2.70 119.26 127.78 3cys h ALA 26 Ca 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.29 3cys h ALA 26 Cb 0.75 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3cys h ALA 26 CO 1.72 0.01 0.40 0.22 0.00 0.00 0.00 179.25 181.61 3cys h ASP 27 N 0.00 0.70 0.07 0.00 3.58 -1.66 -0.78 116.42 118.32 3cys h ASP 27 Ca -0.00 -0.02 -0.29 0.00 0.42 0.00 0.00 57.03 57.14 3cys h ASP 27 Cb 0.78 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 3cys h ASP 27 CO 0.00 0.50 -1.57 0.11 -2.88 0.00 0.00 179.24 175.41 3cys h LYS 28 N 0.82 0.15 -2.55 0.28 6.56 -1.85 -3.39 116.57 116.59 3cys h LYS 28 Ca 0.22 -0.26 -0.59 0.00 -1.06 0.00 0.00 60.65 58.96 3cys h LYS 28 Cb -0.09 0.10 -0.39 0.00 -0.57 0.00 0.00 32.23 31.28 3cys h LYS 28 CO -0.05 1.12 -0.88 0.14 -2.06 0.00 0.00 179.45 177.72 3cys s VAL 29 N -2.46 0.62 0.20 0.50 -7.23 -1.03 -4.96 120.40 106.04 3cys s VAL 29 Ca -0.25 -2.52 0.05 0.00 -1.81 0.00 0.00 61.98 57.45 3cys s VAL 29 Cb 0.06 -1.44 -0.11 0.00 0.56 0.00 0.00 36.38 35.45 3cys s VAL 29 CO 0.69 -1.11 1.45 1.55 -0.31 0.00 0.00 175.10 177.37 3cys h PRO 30 N 6.11 0.13 -0.41 4.82 0.13 -1.39 -2.18 132.00 139.21 3cys h PRO 30 Ca 0.17 -0.12 -0.12 0.00 -0.87 0.00 0.00 66.00 65.05 3cys h PRO 30 Cb 0.91 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3cys h PRO 30 CO 0.38 0.85 -0.23 0.87 -0.23 0.00 0.00 178.00 179.64 3cys h LYS 31 N 0.08 0.84 -0.02 0.86 1.79 -1.88 0.33 116.57 118.56 3cys h LYS 31 Ca -0.02 -0.35 -0.23 0.00 -2.18 0.00 0.00 60.65 57.87 3cys h LYS 31 Cb 1.37 -0.03 0.02 0.00 -1.58 0.00 0.00 32.23 32.01 3cys h LYS 31 CO 0.11 0.98 -0.88 1.15 -1.08 0.00 0.00 179.45 179.74 3cys h THR 32 N 0.72 1.32 -0.07 -0.16 2.02 -1.78 -3.16 112.91 111.81 3cys h THR 32 Ca 0.10 -2.16 -0.06 0.00 0.77 0.00 0.00 66.41 65.06 3cys h THR 32 Cb 0.77 2.40 -0.01 0.00 -1.74 0.00 0.00 68.15 69.57 3cys h THR 32 CO 0.06 0.66 -0.22 0.00 0.37 0.00 0.00 175.52 176.39 3cys h ALA 33 N 0.39 1.50 -0.62 6.16 0.00 -1.20 -3.11 119.26 122.38 3cys h ALA 33 Ca -0.10 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.67 3cys h ALA 33 Cb 1.54 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 3cys h ALA 33 CO 0.17 0.36 -0.40 1.49 0.00 0.00 0.00 179.25 180.88 3cys h GLU 34 N 0.11 -0.18 0.14 0.00 4.81 -0.30 0.53 114.58 119.69 3cys h GLU 34 Ca 0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3cys h GLU 34 Cb 0.45 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3cys h GLU 34 CO 0.03 -0.12 -0.34 -0.91 -0.73 0.00 0.00 179.01 176.94 3cys h ASN 35 N -0.18 -1.00 0.06 1.04 2.35 -1.68 0.03 115.58 116.20 3cys h ASN 35 Ca 0.21 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 3cys h ASN 35 Cb 0.56 0.36 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 3cys h ASN 35 CO -0.71 -0.38 -0.05 -0.26 -1.65 0.00 0.00 177.43 174.38 3cys h PHE 36 N -0.53 0.00 -0.24 1.19 0.04 -1.46 0.16 116.94 116.11 3cys h PHE 36 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3cys h PHE 36 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3cys h PHE 36 CO -0.35 0.05 0.06 -0.09 -0.60 0.00 0.00 178.31 177.39 3cys h ARG 37 N 0.00 0.37 -0.62 1.51 9.65 0.61 0.16 114.38 126.07 3cys h ARG 37 Ca -0.00 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 3cys h ARG 37 Cb 0.10 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 3cys h ARG 37 CO 0.01 0.47 0.17 0.00 2.80 0.00 0.00 179.97 183.42 3cys h ALA 38 N 0.88 1.13 -0.47 2.80 0.00 0.10 -2.56 119.26 121.14 3cys h ALA 38 Ca 0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3cys h ALA 38 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3cys h ALA 38 CO -0.00 0.59 -0.07 -0.07 0.00 0.00 0.00 179.25 179.70 3cys h LEU 39 N 0.92 0.81 0.72 0.00 3.38 -0.49 0.76 115.31 121.41 3cys h LEU 39 Ca 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3cys h LEU 39 Cb 0.30 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3cys h LEU 39 CO -0.00 0.92 -0.41 -1.28 0.09 0.00 0.00 178.44 177.76 3cys h SER 40 N 0.75 -1.01 1.34 -0.43 0.87 -0.27 -2.90 113.55 111.91 3cys h SER 40 Ca 0.13 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 3cys h SER 40 Cb 0.56 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 3cys h SER 40 CO 0.03 -0.65 -0.60 0.74 -0.53 0.00 0.00 176.83 175.82 3cys h THR 41 N -1.05 1.05 0.00 2.23 2.02 -1.53 -3.35 112.91 112.28 3cys h THR 41 Ca -0.09 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.65 3cys h THR 41 Cb 0.84 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 3cys h THR 41 CO 0.12 0.59 0.00 0.61 0.37 0.00 0.00 175.52 177.21 3cys n GLY 42 N 1.18 2.57 3.40 2.16 0.00 0.26 -4.93 105.19 109.83 3cys n GLY 42 Ca 0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 3cys n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cys n GLU 43 N 0.00 -0.71 0.00 1.61 1.02 -1.19 0.14 120.64 121.51 3cys n GLU 43 Ca 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3cys n GLU 43 Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 3cys n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3cys n LYS 44 N -2.02 0.00 -0.99 3.49 4.81 -1.26 -4.66 118.16 117.53 3cys n LYS 44 Ca -0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.11 3cys n LYS 44 Cb 0.31 -0.05 0.07 0.00 0.02 0.00 0.00 35.03 35.38 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cys n GLY 45 N 0.00 4.48 6.88 3.14 0.00 0.36 -5.00 105.19 115.06 3cys n GLY 45 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.19 -1.31 -3.84 1.61 1.16 -1.10 -4.58 117.46 109.21 3cys n PHE 46 Ca 0.41 0.01 -0.04 0.00 -1.87 0.00 0.00 57.45 55.96 3cys n PHE 46 Cb 0.75 0.07 0.01 0.00 -1.61 0.00 0.00 39.48 38.70 3cys n PHE 46 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3cys s GLY 47 N -1.77 0.06 -1.18 4.97 0.00 -1.26 -4.04 107.32 104.09 3cys s GLY 47 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 3cys s GLY 47 CO 0.00 1.38 1.75 -1.72 0.00 0.00 0.00 173.10 174.51 3cys n TYR 48 N -0.61 2.57 -3.88 1.90 4.01 -1.26 -4.89 117.16 114.99 3cys n TYR 48 Ca -0.05 -2.67 -0.34 0.00 -0.16 0.00 0.00 57.90 54.69 3cys n TYR 48 Cb 0.60 -1.57 -0.13 0.00 -0.31 0.00 0.00 39.34 37.92 3cys n TYR 48 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3cys s LYS 49 N -1.51 1.82 0.00 -0.72 2.47 -1.26 -4.48 119.74 116.06 3cys s LYS 49 Ca 0.37 -1.94 0.00 0.00 -1.56 0.00 0.00 55.97 52.84 3cys s LYS 49 Cb 0.09 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 33.03 3cys s LYS 49 CO 0.03 -1.03 0.00 0.41 0.16 0.00 0.00 175.35 174.92 3cys n GLY 50 N 4.29 1.21 3.57 5.54 0.00 -1.26 -5.12 105.19 113.42 3cys n GLY 50 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3cys n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cys s SER 51 N -0.68 1.80 -0.34 1.61 1.04 -1.26 -4.90 113.70 110.98 3cys s SER 51 Ca 0.00 1.67 -0.00 0.00 0.48 0.00 0.00 55.95 58.09 3cys s SER 51 Cb 0.00 -2.33 0.13 0.00 0.10 0.00 0.00 66.02 63.92 3cys s SER 51 CO 0.00 -3.71 0.23 0.00 0.98 0.00 0.00 173.24 170.74 3cys n PHE 53 N 4.43 -2.29 0.21 0.00 1.16 -1.26 -4.92 117.46 114.78 3cys n PHE 53 Ca 0.07 0.49 0.00 0.00 -1.87 0.00 0.00 57.45 56.14 3cys n PHE 53 Cb 0.40 -0.88 0.00 0.00 -1.61 0.00 0.00 39.48 37.39 3cys n PHE 53 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 3cys n HIS 54 N -1.56 -4.47 -3.68 2.97 -0.00 -1.23 -4.88 115.22 102.38 3cys n HIS 54 Ca 0.00 1.43 -0.11 0.00 0.46 0.00 0.00 57.72 59.51 3cys n HIS 54 Cb 0.18 3.62 -0.09 0.00 -0.12 0.00 0.00 29.99 33.57 3cys n HIS 54 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 3cys s ARG 55 N -2.00 0.57 -0.04 1.57 0.52 -0.44 -4.80 118.95 114.32 3cys s ARG 55 Ca 0.00 0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 56.10 3cys s ARG 55 Cb 0.00 0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.64 3cys s ARG 55 CO 0.00 -0.13 0.03 0.42 0.02 0.00 0.00 175.30 175.65 3cys s ILE 56 N 1.07 0.05 -0.06 1.52 1.01 0.79 0.54 121.20 126.11 3cys s ILE 56 Ca -0.06 0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.88 3cys s ILE 56 Cb -0.06 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.18 3cys s ILE 56 CO -0.10 0.17 -0.14 -0.63 0.00 0.00 0.00 174.94 174.25 3cys s ILE 57 N 1.73 1.23 -0.09 2.92 1.01 -0.71 -3.61 121.20 123.68 3cys s ILE 57 Ca -0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 3cys s ILE 57 Cb -0.13 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 3cys s ILE 57 CO -0.03 0.37 1.24 -2.16 0.00 0.00 0.00 174.94 174.36 3cys s PRO 58 N 0.49 4.31 -0.12 2.79 0.04 -1.26 -3.16 135.00 138.09 3cys s PRO 58 Ca -0.12 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 3cys s PRO 58 Cb -0.15 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.76 3cys s PRO 58 CO 0.04 -0.55 0.10 0.41 0.04 0.00 0.00 177.00 177.04 3cys n GLY 59 N 3.47 0.68 1.71 0.56 0.00 -1.26 -4.88 105.19 105.46 3cys n GLY 59 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.24 -2.28 -3.64 1.61 7.35 -1.23 -4.91 117.46 112.11 3cys n PHE 60 Ca -0.01 0.10 -0.15 0.00 -0.76 0.00 0.00 57.45 56.63 3cys n PHE 60 Cb 0.51 0.64 -0.08 0.00 0.35 0.00 0.00 39.48 40.90 3cys n PHE 60 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 3cys s MET 61 N -1.07 0.79 -0.34 -4.13 0.00 -1.19 -0.94 119.30 112.43 3cys s MET 61 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 55.69 56.28 3cys s MET 61 Cb 0.00 0.38 0.10 0.00 0.00 0.00 0.00 34.83 35.30 3cys s MET 61 CO 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 175.02 174.91 3cys s GLN 63 N 0.97 3.12 -0.03 0.00 2.00 0.19 -0.75 119.66 125.16 3cys s GLN 63 Ca 0.08 -0.75 0.16 0.00 -2.00 0.00 0.00 55.36 52.85 3cys s GLN 63 Cb -0.20 -4.22 -0.25 0.00 0.80 0.00 0.00 33.01 29.14 3cys s GLN 63 CO -0.07 -1.86 0.34 0.41 -0.50 0.00 0.00 175.29 173.61 3cys n GLY 64 N 5.33 -0.75 3.70 2.59 0.00 -1.25 -1.33 105.19 113.47 3cys n GLY 64 Ca -0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 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 1.61 0.59 3.58 -0.02 0.00 -1.19 -4.67 105.19 105.09 3cys n GLY 65 Ca -0.04 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 3cys n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cys s ASP 66 N -0.28 0.24 0.44 1.61 1.01 -1.26 -4.73 116.67 113.70 3cys s ASP 66 Ca 0.56 -1.14 0.00 0.00 0.71 0.00 0.00 52.55 52.69 3cys s ASP 66 Cb -0.57 0.64 0.00 0.00 1.01 0.00 0.00 42.92 44.00 3cys s ASP 66 CO 0.62 -1.26 0.00 0.33 0.21 0.00 0.00 175.17 175.07 3cys n PHE 67 N -0.46 -4.58 0.12 4.23 -0.00 -1.26 -4.86 117.46 110.64 3cys n PHE 67 Ca -0.02 1.51 0.00 0.00 -0.00 0.00 0.00 57.45 58.95 3cys n PHE 67 Cb 0.62 3.80 0.00 0.00 -0.00 0.00 0.00 39.48 43.89 3cys n PHE 67 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3cys n THR 68 N -3.41 0.00 -0.07 -2.13 -1.04 -1.26 -4.99 114.28 101.37 3cys n THR 68 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3cys n THR 68 Cb 0.00 -0.43 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 3cys n THR 68 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3cys h ARG 69 N 0.00 0.00 -0.91 -2.82 2.47 -1.86 -3.48 114.38 107.78 3cys h ARG 69 Ca 0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 3cys h ARG 69 Cb 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 3cys h ARG 69 CO 0.00 0.60 -0.26 0.72 0.56 0.00 0.00 179.97 181.59 3cys n HIS 70 N -4.61 -0.15 -0.06 3.04 8.25 -1.26 -4.86 115.22 115.57 3cys n HIS 70 Ca -0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 3cys n HIS 70 Cb 0.38 -2.43 -0.05 0.00 1.12 0.00 0.00 29.99 29.02 3cys n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3cys n ASN 71 N -0.13 1.75 0.19 0.41 5.15 -1.26 -4.72 115.26 116.65 3cys n ASN 71 Ca -0.13 0.06 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 3cys n ASN 71 Cb 0.47 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cys n GLY 72 N 2.54 -1.65 0.00 8.20 0.00 -1.26 -5.04 105.19 107.97 3cys n GLY 72 Ca -0.22 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3cys n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cys n THR 73 N -3.33 0.00 0.00 2.61 -1.04 -1.26 -4.88 114.28 106.38 3cys n THR 73 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3cys n THR 73 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3cys n THR 73 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cys n GLY 74 N 4.73 1.40 3.50 3.41 0.00 -1.26 -4.64 105.19 112.33 3cys n GLY 74 Ca 0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 0.34 1.07 -0.02 0.00 -1.26 -4.60 105.19 100.72 3cys n GLY 75 Ca 0.00 0.86 -0.06 0.00 0.00 0.00 0.00 46.02 46.82 3cys n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cys n LYS 76 N 8.55 0.54 -4.30 1.61 4.01 -1.17 -4.47 118.16 122.94 3cys n LYS 76 Ca 0.42 -0.78 -0.16 0.00 -0.51 0.00 0.00 58.31 57.28 3cys n LYS 76 Cb 0.32 -0.15 -0.10 0.00 -0.51 0.00 0.00 35.03 34.59 3cys n LYS 76 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3cys s SER 77 N -2.09 1.06 0.27 4.39 1.04 -1.12 -4.07 113.70 113.19 3cys s SER 77 Ca 0.18 -1.40 0.25 0.00 0.48 0.00 0.00 55.95 55.45 3cys s SER 77 Cb -0.01 0.22 0.57 0.00 0.10 0.00 0.00 66.02 66.90 3cys s SER 77 CO 0.12 -0.77 1.64 0.16 0.98 0.00 0.00 173.24 175.37 3cys h ILE 78 N 2.40 0.00 -0.00 -1.02 3.07 -1.93 -3.05 117.51 116.98 3cys h ILE 78 Ca -0.37 -0.67 0.00 0.00 1.55 0.00 0.00 64.86 65.36 3cys h ILE 78 Cb 1.25 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 3cys h ILE 78 CO 0.59 0.00 -0.44 -1.22 -1.05 0.00 0.00 178.15 176.03 3cys n TYR 79 N -2.54 0.00 0.00 0.16 4.02 -1.26 -4.95 117.16 112.59 3cys n TYR 79 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3cys n TYR 79 Cb 0.47 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3cys n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3cys n GLY 80 N 1.47 0.70 1.15 2.72 0.00 -1.15 -4.92 105.19 105.16 3cys n GLY 80 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -4.33 1.61 2.13 -1.26 -4.23 120.64 114.57 3cys n GLU 81 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 3cys n GLU 81 Cb 0.00 -0.04 -0.09 0.00 0.27 0.00 0.00 31.44 31.58 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 -1.57 1.56 -0.12 5.31 3.01 -1.26 -2.79 119.74 123.88 3cys s LYS 82 Ca 0.00 -1.88 -0.31 0.00 -1.01 0.00 0.00 55.97 52.77 3cys s LYS 82 Cb 0.00 -0.09 0.12 0.00 -1.01 0.00 0.00 37.83 36.85 3cys s LYS 82 CO 0.00 -0.43 1.04 -0.59 0.51 0.00 0.00 175.35 175.87 3cys s PHE 83 N -3.64 -0.27 0.91 3.18 -0.71 -1.23 -4.82 117.98 111.38 3cys s PHE 83 Ca 0.36 0.28 -0.11 0.00 -1.04 0.00 0.00 56.93 56.42 3cys s PHE 83 Cb 0.05 0.50 0.14 0.00 -1.21 0.00 0.00 43.02 42.51 3cys s PHE 83 CO 0.17 -0.36 1.11 -1.21 -1.34 0.00 0.00 175.22 173.58 3cys s GLU 84 N -2.25 1.10 0.00 1.99 2.02 -1.26 -4.11 118.70 116.19 3cys s GLU 84 Ca 0.05 1.22 0.00 0.00 0.02 0.00 0.00 54.97 56.26 3cys s GLU 84 Cb -0.01 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.46 3cys s GLU 84 CO -0.05 -2.47 0.00 -3.47 0.02 0.00 0.00 175.26 169.29 3cys n ASP 85 N -4.09 0.00 0.00 -0.19 2.03 -1.26 -4.84 116.55 108.20 3cys n ASP 85 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 3cys n ASP 85 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 3cys n ASP 85 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3cys n GLU 86 N 0.00 0.00 -3.61 -0.67 1.02 -1.26 -4.50 120.64 111.62 3cys n GLU 86 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3cys n GLU 86 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 3cys n GLU 86 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cys s ASN 87 N 0.00 -0.02 -0.80 1.62 4.22 -1.26 -5.03 114.94 113.67 3cys s ASN 87 Ca 0.00 -0.01 -0.02 0.00 -2.14 0.00 0.00 52.86 50.69 3cys s ASN 87 Cb 0.00 0.03 0.38 0.00 1.28 0.00 0.00 41.25 42.94 3cys s ASN 87 CO 0.00 -0.05 2.03 0.49 -2.04 0.00 0.00 177.10 177.53 3cys n PHE 88 N -0.20 3.05 0.15 1.54 3.72 -1.26 -4.61 117.46 119.86 3cys n PHE 88 Ca -0.01 -2.53 0.05 0.00 -0.05 0.00 0.00 57.45 54.91 3cys n PHE 88 Cb 0.59 -1.27 0.49 0.00 -0.94 0.00 0.00 39.48 38.36 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 1.71 1.10 -4.31 4.37 2.04 -1.95 -3.43 117.51 117.04 3cys h ILE 89 Ca 0.58 -0.38 -0.46 0.00 1.00 0.00 0.00 64.86 65.60 3cys h ILE 89 Cb 0.25 1.01 0.13 0.00 -0.74 0.00 0.00 36.82 37.47 3cys h ILE 89 CO 1.49 0.13 0.34 -0.76 0.00 0.00 0.00 178.15 179.35 3cys s LEU 90 N -9.01 2.19 0.33 1.44 2.01 -1.26 -5.09 118.68 109.29 3cys s LEU 90 Ca -0.06 0.81 0.06 0.00 0.01 0.00 0.00 54.13 54.95 3cys s LEU 90 Cb 0.16 -3.13 -0.03 0.00 0.01 0.00 0.00 46.19 43.21 3cys s LEU 90 CO 0.71 -2.43 0.29 -0.54 1.01 0.00 0.00 176.35 175.39 3cys s LYS 91 N -5.46 1.76 -0.54 1.70 1.02 -1.26 -4.94 119.74 112.02 3cys s LYS 91 Ca 0.65 -1.99 -0.02 0.00 0.02 0.00 0.00 55.97 54.62 3cys s LYS 91 Cb -0.12 0.33 0.14 0.00 -0.52 0.00 0.00 37.83 37.67 3cys s LYS 91 CO 0.52 -0.66 0.35 -1.01 -0.92 0.00 0.00 175.35 173.63 3cys s HIS 92 N -3.42 3.46 0.11 3.18 3.76 -1.26 -4.93 115.29 116.18 3cys s HIS 92 Ca 0.40 -2.65 -0.15 0.00 -0.15 0.00 0.00 55.06 52.51 3cys s HIS 92 Cb 0.02 -3.18 -0.07 0.00 1.11 0.00 0.00 32.58 30.46 3cys s HIS 92 CO 0.27 -0.88 1.46 1.79 -0.85 0.00 0.00 174.74 176.52 3cys h THR 93 N 5.67 1.29 0.00 1.30 1.35 -1.96 -3.44 112.91 117.12 3cys h THR 93 Ca -0.06 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 3cys h THR 93 Cb 0.98 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3cys h THR 93 CO 0.70 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 177.02 3cys n GLY 94 N 0.04 -0.73 3.80 5.82 0.00 -1.26 -4.84 105.19 108.02 3cys n GLY 94 Ca -0.03 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.74 3.59 0.00 1.61 0.04 -1.25 -3.82 135.00 134.43 3cys s PRO 95 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3cys s PRO 95 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3cys s PRO 95 CO 0.00 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.85 3cys n GLY 96 N -0.71 0.67 3.48 0.56 0.00 0.28 -4.90 105.19 104.59 3cys n GLY 96 Ca 0.09 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 4.52 -0.59 -0.61 -1.09 -1.15 -0.84 121.20 119.45 3cys s ILE 97 Ca 0.00 -0.10 -0.22 0.00 -2.23 0.00 0.00 60.65 58.10 3cys s ILE 97 Cb 0.00 -3.12 0.06 0.00 -1.58 0.00 0.00 42.46 37.82 3cys s ILE 97 CO 0.00 0.33 0.87 -0.22 -1.23 0.00 0.00 174.94 174.68 3cys s LEU 98 N 1.59 4.49 0.25 2.97 0.20 -0.94 -0.52 118.68 126.74 3cys s LEU 98 Ca 0.06 -0.80 0.09 0.00 0.69 0.00 0.00 54.13 54.17 3cys s LEU 98 Cb -0.15 -2.55 -0.04 0.00 -0.43 0.00 0.00 46.19 43.02 3cys s LEU 98 CO 0.05 -1.23 0.04 -0.55 -0.29 0.00 0.00 176.35 174.36 3cys s SER 99 N 3.20 4.78 0.17 3.68 0.15 -0.72 -3.22 113.70 121.75 3cys s SER 99 Ca 0.23 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.35 3cys s SER 99 Cb -0.17 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.12 3cys s SER 99 CO 0.13 0.00 0.34 -0.04 1.20 0.00 0.00 173.24 174.88 3cys s MET 100 N -3.63 3.49 0.00 5.44 -1.94 0.80 -0.74 119.30 122.72 3cys s MET 100 Ca 0.31 -0.43 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 3cys s MET 100 Cb -0.07 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 33.87 3cys s MET 100 CO 0.21 0.46 0.00 0.00 -0.01 0.00 0.00 175.02 175.67 3cys n ALA 101 N -0.55 0.00 -0.94 3.03 0.00 -1.00 -4.07 120.51 116.98 3cys n ALA 101 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3cys n ALA 101 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3cys n ALA 101 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cys n ASN 102 N 0.00 -2.77 -2.90 0.00 3.02 -1.26 -4.74 115.26 106.61 3cys n ASN 102 Ca 0.00 0.17 -0.31 0.00 -0.03 0.00 0.00 54.58 54.42 3cys n ASN 102 Cb 0.00 -1.44 -0.07 0.00 -0.61 0.00 0.00 39.78 37.66 3cys n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cys n ALA 103 N 0.20 7.18 0.00 5.41 0.00 -1.26 -4.82 120.51 127.21 3cys n ALA 103 Ca 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.42 3cys n ALA 103 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.43 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 3.15 0.16 3.71 0.00 0.00 -1.26 -4.86 105.19 106.08 3cys n GLY 104 Ca 0.67 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.61 4.42 -1.12 1.61 0.04 -1.26 -3.36 135.00 134.72 3cys s PRO 105 Ca 0.00 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 3cys s PRO 105 Cb 0.00 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 31.13 3cys s PRO 105 CO 0.00 -0.29 0.97 0.09 0.04 0.00 0.00 177.00 177.81 3cys n ASN 106 N 4.28 -5.26 -0.03 6.66 3.02 -1.26 -4.88 115.26 117.79 3cys n ASN 106 Ca 0.09 -0.46 0.04 0.00 -0.03 0.00 0.00 54.58 54.22 3cys n ASN 106 Cb 0.47 -4.29 0.05 0.00 -0.61 0.00 0.00 39.78 35.40 3cys n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3cys n THR 107 N -4.49 1.32 -1.22 3.41 -2.24 -1.21 -4.42 114.28 105.43 3cys n THR 107 Ca -0.02 -1.46 -0.48 0.00 -2.27 0.00 0.00 64.05 59.82 3cys n THR 107 Cb 0.56 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.96 3cys n THR 107 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3cys n ASN 108 N -0.84 0.17 -0.22 3.42 5.15 -1.26 -4.36 115.26 117.33 3cys n ASN 108 Ca 0.06 0.92 0.07 0.00 -0.60 0.00 0.00 54.58 55.03 3cys n ASN 108 Cb 0.39 -0.72 0.10 0.00 -0.53 0.00 0.00 39.78 39.02 3cys n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cys n GLY 109 N 1.55 3.63 2.64 8.20 0.00 -1.26 -3.58 105.19 116.37 3cys n GLY 109 Ca 0.17 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 3cys n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 110 N -1.01 -4.71 -4.08 1.61 7.64 -1.26 -3.05 113.62 108.77 3cys n SER 110 Ca 0.12 -0.21 -0.33 0.00 1.01 0.00 0.00 58.87 59.45 3cys n SER 110 Cb 0.66 -3.55 -0.15 0.00 -1.01 0.00 0.00 64.21 60.17 3cys n SER 110 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3cys s GLN 111 N -5.39 2.10 0.30 1.43 0.74 -1.26 -4.65 119.66 112.93 3cys s GLN 111 Ca 0.23 -1.47 0.09 0.00 0.05 0.00 0.00 55.36 54.25 3cys s GLN 111 Cb -0.10 -3.06 -0.04 0.00 1.10 0.00 0.00 33.01 30.91 3cys s GLN 111 CO 0.28 -0.69 0.09 -0.59 -0.55 0.00 0.00 175.29 173.84 3cys s PHE 112 N 1.09 2.75 0.00 1.67 -0.12 -1.26 -2.37 117.98 119.74 3cys s PHE 112 Ca -0.03 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.56 3cys s PHE 112 Cb -0.20 -1.45 -0.00 0.00 -0.63 0.00 0.00 43.02 40.74 3cys s PHE 112 CO -0.05 0.46 -0.01 -0.59 -0.05 0.00 0.00 175.22 174.98 3cys s PHE 113 N -2.36 0.09 -0.51 3.49 -0.12 0.09 -3.16 117.98 115.50 3cys s PHE 113 Ca 0.35 -0.12 -0.25 0.00 -0.05 0.00 0.00 56.93 56.86 3cys s PHE 113 Cb -0.05 -0.06 0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3cys s PHE 113 CO 0.22 -0.04 0.93 0.42 -0.05 0.00 0.00 175.22 176.69 3cys s ILE 114 N -0.32 4.44 -0.15 -4.49 1.01 0.07 -1.75 121.20 120.01 3cys s ILE 114 Ca -0.03 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.79 3cys s ILE 114 Cb -0.02 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 37.93 3cys s ILE 114 CO -0.00 -0.98 1.45 0.00 0.00 0.00 0.00 174.94 175.41 3cys n THR 116 N 5.65 2.85 -3.74 0.00 -1.04 -0.11 -0.55 114.28 117.33 3cys n THR 116 Ca 0.16 -1.88 -0.01 0.00 -2.04 0.00 0.00 64.05 60.28 3cys n THR 116 Cb 0.44 -0.36 -0.00 0.00 -1.82 0.00 0.00 70.33 68.59 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys s ALA 117 N -3.06 -1.93 -0.23 2.41 0.00 -1.22 -4.50 121.76 113.23 3cys s ALA 117 Ca 0.52 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 3cys s ALA 117 Cb 0.43 0.57 0.01 0.00 0.00 0.00 0.00 23.12 24.13 3cys s ALA 117 CO 0.11 -1.06 0.99 0.21 0.00 0.00 0.00 175.76 176.00 3cys s LYS 118 N -2.70 4.25 -0.46 0.00 2.20 -1.26 -3.91 119.74 117.87 3cys s LYS 118 Ca 0.16 1.26 0.03 0.00 -0.36 0.00 0.00 55.97 57.05 3cys s LYS 118 Cb 0.01 -3.64 0.13 0.00 -1.51 0.00 0.00 37.83 32.83 3cys s LYS 118 CO 0.00 -0.59 0.24 0.95 -0.36 0.00 0.00 175.35 175.59 3cys s THR 119 N 3.05 1.70 -0.74 3.43 -4.23 -1.26 -4.94 115.64 112.65 3cys s THR 119 Ca 0.42 -2.72 0.25 0.00 -1.18 0.00 0.00 61.69 58.46 3cys s THR 119 Cb -0.15 -2.19 0.26 0.00 1.34 0.00 0.00 72.50 71.76 3cys s THR 119 CO 0.07 -0.86 1.77 -1.84 -0.54 0.00 0.00 174.62 173.22 3cys n GLU 120 N 3.47 0.19 0.00 3.99 0.28 -1.26 -2.21 120.64 125.10 3cys n GLU 120 Ca 0.07 0.22 0.13 0.00 -0.16 0.00 0.00 57.16 57.42 3cys n GLU 120 Cb 0.34 -1.75 0.41 0.00 1.43 0.00 0.00 31.44 31.87 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 -2.08 0.00 0.17 -1.84 2.14 -1.26 -2.81 117.44 111.76 3cys n TRP 121 Ca 0.05 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.71 3cys n TRP 121 Cb 0.36 -0.34 -0.14 0.00 -0.81 0.00 0.00 31.31 30.38 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 -1.47 0.18 0.40 5.67 4.77 -0.94 -4.66 117.00 120.95 3cys n LEU 122 Ca 0.06 -0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 55.75 3cys n LEU 122 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3cys n LEU 122 CO 0.31 0.04 0.56 -0.78 -1.33 0.00 0.00 177.39 176.20 3cys h ASP 123 N 0.00 -1.16 -0.81 -1.43 3.58 -1.32 -0.10 116.42 115.17 3cys h ASP 123 Ca 0.00 0.07 -0.70 0.00 0.42 0.00 0.00 57.03 56.82 3cys h ASP 123 Cb 0.77 0.34 -0.08 0.00 1.72 0.00 0.00 39.33 42.08 3cys h ASP 123 CO 0.00 -0.70 2.66 0.61 -2.88 0.00 0.00 179.24 178.93 3cys n GLY 124 N -1.59 4.87 0.73 -0.78 0.00 -1.26 -3.60 105.19 103.57 3cys n GLY 124 Ca -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3cys n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 125 N 2.20 0.00 -3.15 1.61 0.00 -1.16 -5.11 118.16 112.55 3cys n LYS 125 Ca 0.66 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.75 3cys n LYS 125 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.30 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3cys s HIS 126 N -2.00 3.26 0.12 5.64 3.76 -0.06 -4.99 115.29 121.02 3cys s HIS 126 Ca 0.00 0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3cys s HIS 126 Cb 0.00 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 3cys s HIS 126 CO 0.00 -0.20 0.27 0.08 -0.85 0.00 0.00 174.74 174.03 3cys s VAL 127 N -2.44 5.34 -0.08 -0.90 1.01 -1.26 -4.87 120.40 117.20 3cys s VAL 127 Ca 0.46 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3cys s VAL 127 Cb -0.10 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.61 3cys s VAL 127 CO 0.36 -0.00 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 3cys s VAL 128 N -1.66 0.49 0.00 2.92 1.01 -1.26 -0.14 120.40 121.76 3cys s VAL 128 Ca 0.35 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3cys s VAL 128 Cb -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.64 3cys s VAL 128 CO 0.28 0.27 0.37 2.22 0.00 0.00 0.00 175.10 178.25 3cys n PHE 129 N 5.02 0.00 -3.92 5.22 -1.74 -1.23 -4.75 117.46 116.05 3cys n PHE 129 Ca -0.09 -0.06 -0.09 0.00 -0.56 0.00 0.00 57.45 56.65 3cys n PHE 129 Cb 0.50 -0.01 -0.09 0.00 1.52 0.00 0.00 39.48 41.41 3cys n PHE 129 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3cys s GLY 130 N -0.12 0.18 -0.11 4.97 0.00 -1.20 -0.18 107.32 110.86 3cys s GLY 130 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 44.72 43.97 3cys s GLY 130 CO 0.00 -0.81 0.29 1.25 0.00 0.00 0.00 173.10 173.84 3cys s LYS 131 N -3.23 0.33 -0.10 2.90 2.20 -1.26 -2.20 119.74 118.38 3cys s LYS 131 Ca 0.00 0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 3cys s LYS 131 Cb 0.02 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 3cys s LYS 131 CO -0.07 -0.06 1.02 0.08 -0.36 0.00 0.00 175.35 175.95 3cys s VAL 132 N 0.35 4.76 -0.18 4.02 1.01 -0.02 -1.12 120.40 129.22 3cys s VAL 132 Ca -0.02 2.02 0.14 0.00 0.00 0.00 0.00 61.98 64.13 3cys s VAL 132 Cb -0.03 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 3cys s VAL 132 CO -0.01 0.01 0.15 2.29 0.00 0.00 0.00 175.10 177.54 3cys n LYS 133 N 4.97 0.68 -3.97 2.72 2.85 -1.17 -4.92 118.16 119.30 3cys n LYS 133 Ca 0.09 0.08 -0.10 0.00 -1.05 0.00 0.00 58.31 57.33 3cys n LYS 133 Cb 0.49 -1.58 -0.06 0.00 -0.65 0.00 0.00 35.03 33.23 3cys n LYS 133 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3cys s GLU 134 N -2.52 1.35 -0.17 -1.58 2.02 -1.17 -4.95 118.70 111.68 3cys s GLU 134 Ca -0.13 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.65 3cys s GLU 134 Cb 0.07 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.72 3cys s GLU 134 CO 0.80 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.96 3cys n GLY 135 N -0.30 0.36 0.29 -1.39 0.00 -1.26 -4.33 105.19 98.56 3cys n GLY 135 Ca -0.04 -0.87 0.01 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.59 0.00 1.61 2.86 -1.92 0.35 114.93 118.42 3cys h MET 136 Ca -0.04 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3cys h MET 136 Cb 0.77 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3cys h MET 136 CO 0.05 0.51 -0.62 -2.95 1.06 0.00 0.00 176.91 174.97 3cys h ASN 137 N 0.59 0.00 -0.37 1.22 7.08 -1.98 -2.17 115.58 119.94 3cys h ASN 137 Ca 0.14 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.23 3cys h ASN 137 Cb 0.15 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.39 3cys h ASN 137 CO -0.01 0.21 -0.29 0.40 -2.08 0.00 0.00 177.43 175.66 3cys h ILE 138 N 0.00 1.28 -0.18 6.14 5.03 -1.76 -0.23 117.51 127.79 3cys h ILE 138 Ca -0.03 -1.45 -0.01 0.00 -0.12 0.00 0.00 64.86 63.25 3cys h ILE 138 Cb 1.18 1.38 -0.01 0.00 -3.03 0.00 0.00 36.82 36.35 3cys h ILE 138 CO 0.02 0.48 0.09 0.58 -0.68 0.00 0.00 178.15 178.65 3cys h VAL 139 N 0.66 1.12 -0.77 1.67 2.07 -0.91 -2.75 116.25 117.34 3cys h VAL 139 Ca 0.07 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3cys h VAL 139 Cb 0.87 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3cys h VAL 139 CO 0.08 0.12 0.45 -0.08 0.02 0.00 0.00 177.57 178.15 3cys h GLU 140 N 0.17 0.77 -0.71 1.57 4.22 -1.28 0.44 114.58 119.76 3cys h GLU 140 Ca 0.06 -0.05 0.09 0.00 0.08 0.00 0.00 59.36 59.55 3cys h GLU 140 Cb 0.10 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 3cys h GLU 140 CO -0.01 0.51 0.47 0.00 -2.18 0.00 0.00 179.01 177.80 3cys h ALA 141 N 1.39 1.84 0.00 2.92 0.00 -0.80 0.24 119.26 124.86 3cys h ALA 141 Ca 0.35 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 3cys h ALA 141 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3cys h ALA 141 CO -0.20 0.02 -1.00 1.98 0.00 0.00 0.00 179.25 180.05 3cys h MET 142 N 0.62 0.00 0.00 0.00 1.85 -0.79 -3.32 114.93 113.29 3cys h MET 142 Ca 0.33 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 59.27 3cys h MET 142 Cb 0.45 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.46 3cys h MET 142 CO -0.11 0.49 -0.70 1.49 -0.40 0.00 0.00 176.91 177.68 3cys h GLU 143 N 0.00 0.00 0.00 0.39 4.81 0.25 -3.00 114.58 117.02 3cys h GLU 143 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3cys h GLU 143 Cb 1.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.94 3cys h GLU 143 CO 0.07 0.70 0.00 2.89 -0.73 0.00 0.00 179.01 181.94 3cys n ARG 144 N -3.63 0.26 -0.23 1.92 1.85 0.56 -1.32 116.66 116.08 3cys n ARG 144 Ca -0.01 0.09 0.11 0.00 -1.00 0.00 0.00 57.85 57.04 3cys n ARG 144 Cb 0.71 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.85 3cys n ARG 144 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3cys n PHE 145 N -1.32 0.61 -4.07 2.89 3.72 -1.13 -4.92 117.46 113.25 3cys n PHE 145 Ca 0.10 -0.33 -0.22 0.00 -0.05 0.00 0.00 57.45 56.95 3cys n PHE 145 Cb 0.19 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.69 3cys n PHE 145 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cys s GLY 146 N -1.29 1.40 0.00 1.37 0.00 -0.43 -0.79 107.32 107.58 3cys s GLY 146 Ca 0.40 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.71 3cys s GLY 146 CO 0.30 -1.43 0.00 1.44 0.00 0.00 0.00 173.10 173.41 3cys n SER 147 N -1.23 0.00 0.00 1.64 7.64 -1.25 -4.45 113.62 115.97 3cys n SER 147 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 3cys n SER 147 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.00 0.00 0.00 1.43 0.63 -1.26 -1.01 116.66 115.45 3cys n ARG 148 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 3cys n ARG 148 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 3cys n ARG 148 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3cys n ASN 149 N 2.74 2.30 0.00 6.15 6.94 -1.26 -4.93 115.26 127.20 3cys n ASN 149 Ca 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 54.58 52.91 3cys n ASN 149 Cb 0.00 0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 3cys n ASN 149 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cys n GLY 150 N 1.36 0.39 3.36 4.83 0.00 -0.18 -5.00 105.19 109.94 3cys n GLY 150 Ca 0.10 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.85 1.45 0.46 1.61 1.02 -1.24 -0.15 119.74 120.04 3cys s LYS 151 Ca 0.00 -1.77 -0.25 0.00 0.02 0.00 0.00 55.97 53.97 3cys s LYS 151 Cb 0.00 -0.61 -0.08 0.00 -0.52 0.00 0.00 37.83 36.62 3cys s LYS 151 CO 0.00 -0.17 1.44 0.95 -0.92 0.00 0.00 175.35 176.65 3cys s THR 152 N -3.46 2.01 -1.67 2.17 -4.23 -1.26 -3.79 115.64 105.41 3cys s THR 152 Ca 0.33 0.01 0.26 0.00 -1.18 0.00 0.00 61.69 61.11 3cys s THR 152 Cb 0.07 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 71.12 3cys s THR 152 CO 0.12 0.00 1.51 -1.20 -0.54 0.00 0.00 174.62 174.51 3cys n SER 153 N -0.24 1.02 0.00 3.99 7.64 0.03 -4.95 113.62 121.11 3cys n SER 153 Ca 0.05 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.08 3cys n SER 153 Cb 0.42 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 3cys n SER 153 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3cys n LYS 154 N -0.73 0.00 -3.79 1.43 2.85 -1.26 -5.12 118.16 111.53 3cys n LYS 154 Ca 0.11 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.00 3cys n LYS 154 Cb 0.35 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.61 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3cys s LYS 155 N 1.71 2.51 -0.15 -1.58 1.02 -1.26 -5.06 119.74 116.93 3cys s LYS 155 Ca 0.00 -1.28 -0.08 0.00 0.02 0.00 0.00 55.97 54.63 3cys s LYS 155 Cb 0.00 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3cys s LYS 155 CO 0.00 -0.70 0.13 0.42 -0.92 0.00 0.00 175.35 174.28 3cys s ILE 156 N 1.34 5.41 0.00 2.17 1.09 -1.26 -0.43 121.20 129.52 3cys s ILE 156 Ca -0.02 0.18 0.02 0.00 -1.10 0.00 0.00 60.65 59.74 3cys s ILE 156 Cb -0.20 -3.40 -0.01 0.00 -1.06 0.00 0.00 42.46 37.79 3cys s ILE 156 CO 0.01 0.55 -0.07 0.42 -0.10 0.00 0.00 174.94 175.74 3cys s THR 157 N -0.47 0.58 -0.30 2.92 -4.23 0.18 -4.09 115.64 110.23 3cys s THR 157 Ca 0.12 -0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.96 3cys s THR 157 Cb -0.12 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.22 3cys s THR 157 CO 0.02 0.08 0.81 -0.63 -0.54 0.00 0.00 174.62 174.36 3cys s ILE 158 N -0.34 4.78 -0.02 2.99 1.01 -1.25 -1.53 121.20 126.85 3cys s ILE 158 Ca 0.01 1.25 -0.25 0.00 0.00 0.00 0.00 60.65 61.66 3cys s ILE 158 Cb -0.04 -4.16 -0.19 0.00 0.01 0.00 0.00 42.46 38.08 3cys s ILE 158 CO -0.00 -0.25 1.20 0.00 0.00 0.00 0.00 174.94 175.89 3cys h ALA 159 N 8.08 -0.12 -1.34 9.38 0.00 -1.77 -3.41 119.26 130.08 3cys h ALA 159 Ca -0.24 -0.23 0.24 0.00 0.00 0.00 0.00 54.91 54.69 3cys h ALA 159 Cb 1.09 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 3cys h ALA 159 CO 0.89 -0.33 0.84 0.16 0.00 0.00 0.00 179.25 180.81 3cys s ASP 160 N -5.53 -0.12 0.10 0.00 -4.77 -1.25 -5.03 116.67 100.06 3cys s ASP 160 Ca -0.15 0.05 -0.01 0.00 -3.30 0.00 0.00 52.55 49.14 3cys s ASP 160 Cb 0.02 0.12 -0.04 0.00 -1.09 0.00 0.00 42.92 41.93 3cys s ASP 160 CO 0.62 -0.17 0.03 0.00 0.70 0.00 0.00 175.17 176.34 3cys n GLY 162 N -0.01 -1.49 3.87 0.00 0.00 -1.08 -4.86 105.19 101.61 3cys n GLY 162 Ca -0.09 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 3cys n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cys s GLN 163 N -1.30 3.53 -0.47 1.61 -0.44 -1.26 -1.19 119.66 120.13 3cys s GLN 163 Ca 0.00 -0.07 -0.20 0.00 -2.50 0.00 0.00 55.36 52.60 3cys s GLN 163 Cb 0.00 -3.20 0.04 0.00 -1.64 0.00 0.00 33.01 28.21 3cys s GLN 163 CO 0.00 0.75 0.62 -0.51 0.50 0.00 0.00 175.29 176.65 3cys s LEU 164 N -0.98 4.76 0.00 3.68 1.43 0.18 -4.86 118.68 122.89 3cys s LEU 164 Ca 0.16 -0.66 0.31 0.00 -1.03 0.00 0.00 54.13 52.90 3cys s LEU 164 Cb -0.13 -2.55 1.68 0.00 0.03 0.00 0.00 46.19 45.22 3cys s LEU 164 CO 0.05 -0.83 2.10 -1.84 0.23 0.00 0.00 176.35 176.06