#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 0.62 0.44 2.03 -7.23 -1.26 -5.15 120.40 109.86 3cys s VAL 2 Ca 0.00 -1.80 -0.22 0.00 -1.81 0.00 0.00 61.98 58.15 3cys s VAL 2 Cb 0.00 -1.52 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 3cys s VAL 2 CO 0.00 -0.82 1.04 0.20 -0.31 0.00 0.00 175.10 175.20 3cys s ASN 3 N -2.83 6.57 0.88 4.85 0.01 -1.26 -5.04 114.94 118.12 3cys s ASN 3 Ca 0.08 1.96 -0.12 0.00 -0.71 0.00 0.00 52.86 54.07 3cys s ASN 3 Cb 0.04 -2.57 0.12 0.00 0.41 0.00 0.00 41.25 39.24 3cys s ASN 3 CO -0.05 -0.62 1.13 -2.16 -1.51 0.00 0.00 177.10 173.89 3cys s PRO 4 N -2.90 1.42 0.00 -0.60 0.04 -1.26 -4.92 135.00 126.78 3cys s PRO 4 Ca 0.63 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 3cys s PRO 4 Cb -0.18 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3cys s PRO 4 CO 0.23 -2.03 0.05 -0.08 0.04 0.00 0.00 177.00 175.21 3cys s THR 5 N -3.24 0.07 0.38 1.26 -1.32 -1.26 -2.74 115.64 108.79 3cys s THR 5 Ca 0.63 -0.55 0.07 0.00 -1.21 0.00 0.00 61.69 60.63 3cys s THR 5 Cb -0.15 -0.26 -0.07 0.00 -1.51 0.00 0.00 72.50 70.51 3cys s THR 5 CO 0.54 -0.30 -0.02 0.68 -2.21 0.00 0.00 174.62 173.30 3cys s VAL 6 N -0.96 1.99 0.01 5.08 -7.23 0.01 -1.81 120.40 117.50 3cys s VAL 6 Ca -0.10 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.86 3cys s VAL 6 Cb -0.06 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 34.03 3cys s VAL 6 CO 0.00 -0.07 0.32 0.72 -0.31 0.00 0.00 175.10 175.76 3cys s PHE 7 N -2.74 -0.15 0.05 2.82 -0.71 -0.55 -0.62 117.98 116.08 3cys s PHE 7 Ca 0.34 0.14 -0.27 0.00 -1.04 0.00 0.00 56.93 56.10 3cys s PHE 7 Cb 0.08 0.10 0.08 0.00 -1.21 0.00 0.00 43.02 42.07 3cys s PHE 7 CO 0.17 -0.45 0.67 -0.59 -1.34 0.00 0.00 175.22 173.68 3cys s PHE 8 N -1.94 -0.56 0.01 3.49 -0.12 -0.12 -1.49 117.98 117.24 3cys s PHE 8 Ca -0.09 0.65 0.03 0.00 -0.05 0.00 0.00 56.93 57.46 3cys s PHE 8 Cb -0.03 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3cys s PHE 8 CO 0.01 -0.71 -0.03 0.34 -0.05 0.00 0.00 175.22 174.78 3cys s ASP 9 N -2.04 4.89 -0.18 1.98 -1.08 -1.00 -0.84 116.67 118.40 3cys s ASP 9 Ca -0.04 -0.09 -0.08 0.00 -0.52 0.00 0.00 52.55 51.82 3cys s ASP 9 Cb -0.01 -1.20 -0.04 0.00 -1.46 0.00 0.00 42.92 40.21 3cys s ASP 9 CO -0.03 0.27 0.07 -0.63 0.52 0.00 0.00 175.17 175.37 3cys s ILE 10 N -1.08 4.89 -0.44 4.11 1.09 -1.16 -1.22 121.20 127.39 3cys s ILE 10 Ca 0.19 -0.00 -0.08 0.00 -1.10 0.00 0.00 60.65 59.66 3cys s ILE 10 Cb -0.11 -3.20 0.10 0.00 -1.06 0.00 0.00 42.46 38.19 3cys s ILE 10 CO 0.10 0.47 0.28 0.00 -0.10 0.00 0.00 174.94 175.69 3cys s ALA 11 N 0.26 3.30 -0.79 9.38 0.00 0.81 -0.09 121.76 134.63 3cys s ALA 11 Ca 0.05 -2.37 -0.23 0.00 0.00 0.00 0.00 51.96 49.41 3cys s ALA 11 Cb -0.12 -2.67 0.07 0.00 0.00 0.00 0.00 23.12 20.40 3cys s ALA 11 CO -0.00 -1.77 1.15 0.08 0.00 0.00 0.00 175.76 175.22 3cys s VAL 12 N 1.35 4.19 -0.18 0.00 1.01 0.33 -2.29 120.40 124.81 3cys s VAL 12 Ca 0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 3cys s VAL 12 Cb -0.24 -4.82 0.02 0.00 0.00 0.00 0.00 36.38 31.34 3cys s VAL 12 CO -0.00 -1.64 0.22 -0.90 0.00 0.00 0.00 175.10 172.78 3cys n ASP 13 N 8.07 -6.47 -2.88 3.32 5.75 0.45 -2.30 116.55 122.49 3cys n ASP 13 Ca 0.09 0.35 -0.18 0.00 -0.01 0.00 0.00 54.79 55.03 3cys n ASP 13 Cb 0.48 -2.15 0.00 0.00 -1.03 0.00 0.00 41.12 38.42 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cys n GLY 14 N 0.73 -0.50 3.00 6.12 0.00 -1.26 -4.91 105.19 108.36 3cys n GLY 14 Ca -0.02 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -5.51 0.26 -0.42 1.61 2.56 -0.97 -5.11 118.70 111.11 3cys s GLU 15 Ca 0.20 0.66 -0.29 0.00 0.00 0.00 0.00 54.97 55.54 3cys s GLU 15 Cb -0.10 -0.28 0.01 0.00 2.00 0.00 0.00 34.13 35.76 3cys s GLU 15 CO 0.25 -0.45 1.41 -1.25 -0.56 0.00 0.00 175.26 174.66 3cys s PRO 16 N 2.49 3.56 0.12 4.30 0.04 -1.26 0.12 135.00 144.37 3cys s PRO 16 Ca 0.05 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 3cys s PRO 16 Cb -0.14 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 3cys s PRO 16 CO -0.12 -1.58 1.53 1.25 0.04 0.00 0.00 177.00 178.12 3cys h LEU 17 N 12.23 0.72 0.00 -3.56 7.12 -0.87 -3.48 115.31 127.47 3cys h LEU 17 Ca -0.27 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.38 3cys h LEU 17 Cb 1.10 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 3cys h LEU 17 CO 1.09 0.91 0.00 0.61 -0.13 0.00 0.00 178.44 180.92 3cys n GLY 18 N -0.21 0.66 3.76 3.75 0.00 -1.25 -5.00 105.19 106.91 3cys n GLY 18 Ca -0.02 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 3cys n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cys s ARG 19 N -1.14 4.61 -0.06 1.61 3.00 -1.26 -2.99 118.95 122.72 3cys s ARG 19 Ca 0.00 1.22 0.04 0.00 -1.00 0.00 0.00 55.73 55.99 3cys s ARG 19 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 34.95 31.66 3cys s ARG 19 CO 0.00 0.49 -0.18 0.08 0.00 0.00 0.00 175.30 175.69 3cys s VAL 20 N -0.88 1.52 0.06 7.11 1.01 -0.02 -4.62 120.40 124.59 3cys s VAL 20 Ca 0.38 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3cys s VAL 20 Cb -0.23 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3cys s VAL 20 CO 0.27 0.44 -0.19 -0.94 0.00 0.00 0.00 175.10 174.68 3cys s SER 21 N 0.23 3.75 -0.02 3.32 1.04 -0.63 -0.95 113.70 120.44 3cys s SER 21 Ca -0.09 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 3cys s SER 21 Cb -0.14 -0.56 0.02 0.00 0.10 0.00 0.00 66.02 65.44 3cys s SER 21 CO 0.04 0.24 0.04 -0.36 0.98 0.00 0.00 173.24 174.17 3cys s PHE 22 N -0.97 -0.01 -0.06 5.02 0.40 0.21 -3.96 117.98 118.61 3cys s PHE 22 Ca 0.15 0.14 -0.06 0.00 -0.60 0.00 0.00 56.93 56.56 3cys s PHE 22 Cb -0.10 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 3cys s PHE 22 CO 0.06 -0.07 0.18 -1.83 0.70 0.00 0.00 175.22 174.26 3cys s GLU 23 N 0.71 3.47 -0.23 0.44 -1.05 -0.88 -0.81 118.70 120.35 3cys s GLU 23 Ca -0.06 -0.18 -0.03 0.00 -0.15 0.00 0.00 54.97 54.55 3cys s GLU 23 Cb -0.08 -3.15 0.01 0.00 -0.44 0.00 0.00 34.13 30.47 3cys s GLU 23 CO -0.02 0.73 -0.06 -0.51 0.95 0.00 0.00 175.26 176.34 3cys s LEU 24 N -1.44 2.97 -1.28 1.83 2.01 -1.11 -2.28 118.68 119.38 3cys s LEU 24 Ca 0.21 -0.63 -0.17 0.00 0.01 0.00 0.00 54.13 53.55 3cys s LEU 24 Cb -0.12 -1.69 0.00 0.00 0.01 0.00 0.00 46.19 44.39 3cys s LEU 24 CO 0.11 -0.07 2.04 0.49 1.01 0.00 0.00 176.35 179.93 3cys n PHE 25 N 4.73 3.45 0.27 0.29 3.01 -1.16 -4.31 117.46 123.74 3cys n PHE 25 Ca -0.18 -2.62 0.14 0.00 1.01 0.00 0.00 57.45 55.80 3cys n PHE 25 Cb 0.49 -2.43 0.72 0.00 -0.01 0.00 0.00 39.48 38.25 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 6.98 1.17 -0.77 4.37 0.00 -1.88 -1.78 119.26 127.34 3cys h ALA 26 Ca 0.49 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.40 3cys h ALA 26 Cb 0.72 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.42 3cys h ALA 26 CO 1.75 0.14 0.41 0.22 0.00 0.00 0.00 179.25 181.77 3cys h ASP 27 N 0.00 0.54 0.37 0.00 3.58 -1.99 0.46 116.42 119.39 3cys h ASP 27 Ca -0.00 0.06 -0.32 0.00 0.42 0.00 0.00 57.03 57.19 3cys h ASP 27 Cb 0.40 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 3cys h ASP 27 CO 0.01 0.29 -1.75 0.50 -2.88 0.00 0.00 179.24 175.42 3cys h LYS 28 N 0.67 0.14 -2.35 0.28 1.63 -1.78 -3.41 116.57 111.75 3cys h LYS 28 Ca 0.38 -0.25 -0.59 0.00 -0.85 0.00 0.00 60.65 59.35 3cys h LYS 28 Cb 0.42 0.09 -0.39 0.00 -0.60 0.00 0.00 32.23 31.75 3cys h LYS 28 CO -0.28 0.88 -0.97 1.33 -3.45 0.00 0.00 179.45 176.97 3cys n VAL 29 N -3.29 -0.86 -0.98 2.00 0.24 -0.74 -5.00 118.33 109.69 3cys n VAL 29 Ca -0.21 -3.66 -0.29 0.00 -2.04 0.00 0.00 64.34 58.13 3cys n VAL 29 Cb 1.05 -1.75 -0.02 0.00 -1.47 0.00 0.00 33.84 31.64 3cys n VAL 29 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3cys n PRO 30 N 2.49 2.77 0.00 7.34 -0.04 0.13 -2.91 135.00 144.78 3cys n PRO 30 Ca 0.28 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 3cys n PRO 30 Cb 0.48 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 3cys n PRO 30 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3cys n LYS 31 N 3.96 0.00 0.14 0.54 4.81 -1.26 -4.93 118.16 121.43 3cys n LYS 31 Ca 0.59 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3cys n LYS 31 Cb 0.17 0.00 0.19 0.00 0.02 0.00 0.00 35.03 35.42 3cys n LYS 31 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 3cys h THR 32 N 0.00 1.35 -0.71 3.15 2.02 -1.93 -2.86 112.91 113.93 3cys h THR 32 Ca 0.00 -2.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.14 3cys h THR 32 Cb 0.00 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 3cys h THR 32 CO 0.00 0.57 0.42 0.00 0.37 0.00 0.00 175.52 176.87 3cys h ALA 33 N 1.42 1.40 -0.65 6.16 0.00 -1.88 -2.45 119.26 123.26 3cys h ALA 33 Ca -0.01 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.92 3cys h ALA 33 Cb 1.07 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 3cys h ALA 33 CO 0.08 0.51 0.26 1.49 0.00 0.00 0.00 179.25 181.59 3cys h GLU 34 N 0.98 0.44 0.12 0.00 4.57 -1.80 -0.05 114.58 118.83 3cys h GLU 34 Ca 0.25 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.42 3cys h GLU 34 Cb -0.02 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 3cys h GLU 34 CO -0.05 0.29 -0.50 -0.97 -1.18 0.00 0.00 179.01 176.60 3cys h ASN 35 N 0.45 -1.50 -0.17 1.04 -0.73 -1.54 0.46 115.58 113.60 3cys h ASN 35 Ca 0.33 0.16 -0.17 0.00 1.87 0.00 0.00 56.30 58.49 3cys h ASN 35 Cb 0.42 0.56 0.01 0.00 0.27 0.00 0.00 38.32 39.57 3cys h ASN 35 CO -0.32 -0.54 -0.56 0.15 -0.37 0.00 0.00 177.43 175.79 3cys h PHE 36 N -0.73 0.88 -0.15 0.67 3.04 -1.56 -1.55 116.94 117.55 3cys h PHE 36 Ca 0.00 -0.36 -0.04 0.00 3.98 0.00 0.00 57.97 61.55 3cys h PHE 36 Cb 0.74 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3cys h PHE 36 CO -0.43 1.16 -0.08 -0.09 -2.02 0.00 0.00 178.31 176.85 3cys h ARG 37 N 0.36 0.22 -0.11 1.11 1.12 -0.84 0.67 114.38 116.90 3cys h ARG 37 Ca -0.02 -0.04 -0.14 0.00 -1.11 0.00 0.00 59.98 58.67 3cys h ARG 37 Cb 1.19 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 31.12 3cys h ARG 37 CO 0.12 0.31 -0.46 0.00 -3.11 0.00 0.00 179.97 176.83 3cys h ALA 38 N 1.72 0.20 -0.48 2.80 0.00 0.11 -1.16 119.26 122.45 3cys h ALA 38 Ca 0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3cys h ALA 38 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3cys h ALA 38 CO 0.01 0.36 0.09 -0.07 0.00 0.00 0.00 179.25 179.64 3cys h LEU 39 N 0.10 0.69 -0.46 0.00 3.38 -0.67 0.21 115.31 118.56 3cys h LEU 39 Ca -0.03 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 3cys h LEU 39 Cb 1.10 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3cys h LEU 39 CO 0.10 0.69 -0.68 0.28 0.09 0.00 0.00 178.44 178.92 3cys h SER 40 N 0.71 0.48 -0.06 -0.43 0.02 -0.87 -3.22 113.55 110.18 3cys h SER 40 Ca 0.16 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3cys h SER 40 Cb 0.30 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3cys h SER 40 CO 0.00 1.02 0.00 0.74 -1.14 0.00 0.00 176.83 177.45 3cys h THR 41 N 0.29 1.25 0.00 -2.27 2.02 -0.42 -2.77 112.91 111.00 3cys h THR 41 Ca -0.02 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.40 3cys h THR 41 Cb 1.24 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3cys h THR 41 CO 0.12 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.83 3cys n GLY 42 N -0.28 2.57 2.16 2.16 0.00 -0.01 -4.79 105.19 107.00 3cys n GLY 42 Ca -0.07 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 2.27 -1.37 1.61 1.02 -1.26 -0.60 120.64 122.30 3cys n GLU 43 Ca 0.00 -1.25 -0.03 0.00 -0.02 0.00 0.00 57.16 55.86 3cys n GLU 43 Cb 0.00 -2.19 0.01 0.00 -0.02 0.00 0.00 31.44 29.24 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 2.93 0.34 -0.36 3.49 0.00 -1.26 -4.98 118.16 118.32 3cys n LYS 44 Ca 0.49 -0.66 0.00 0.00 0.00 0.00 0.00 58.31 58.14 3cys n LYS 44 Cb 0.62 0.40 0.00 0.00 0.00 0.00 0.00 35.03 36.06 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cys n GLY 45 N -0.38 0.66 7.00 3.14 0.00 -1.17 -4.85 105.19 109.59 3cys n GLY 45 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.24 -1.45 0.00 1.61 1.16 0.23 -4.84 117.46 113.93 3cys n PHE 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3cys n PHE 46 Cb 0.10 0.14 0.00 0.00 -1.61 0.00 0.00 39.48 38.11 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 0.00 4.96 4.00 4.97 0.00 -1.23 -4.17 105.19 113.71 3cys n GLY 47 Ca 0.00 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3cys n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cys n TYR 48 N -1.92 -1.04 -3.49 1.61 4.01 -1.25 -4.68 117.16 110.39 3cys n TYR 48 Ca 0.00 0.05 -0.22 0.00 -0.16 0.00 0.00 57.90 57.56 3cys n TYR 48 Cb 0.00 -2.07 -0.13 0.00 -0.31 0.00 0.00 39.34 36.83 3cys n TYR 48 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3cys s LYS 49 N -6.84 0.21 0.00 -0.72 -0.14 -1.26 -4.54 119.74 106.45 3cys s LYS 49 Ca 0.37 -0.15 0.00 0.00 -1.36 0.00 0.00 55.97 54.83 3cys s LYS 49 Cb -0.21 -1.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.84 3cys s LYS 49 CO 0.74 -0.88 0.00 0.41 -0.76 0.00 0.00 175.35 174.86 3cys n GLY 50 N 5.29 0.64 3.90 -3.33 0.00 -1.26 -5.04 105.19 105.39 3cys n GLY 50 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.17 4.48 -0.02 1.61 1.04 -1.26 -4.91 113.70 112.47 3cys s SER 51 Ca 0.00 0.77 -0.07 0.00 0.48 0.00 0.00 55.95 57.13 3cys s SER 51 Cb 0.00 -1.26 0.01 0.00 0.10 0.00 0.00 66.02 64.87 3cys s SER 51 CO 0.00 -1.92 0.15 0.00 0.98 0.00 0.00 173.24 172.45 3cys s PHE 53 N -0.94 3.61 -0.06 0.00 0.40 -1.26 -4.04 117.98 115.69 3cys s PHE 53 Ca -0.10 1.74 -0.04 0.00 -0.60 0.00 0.00 56.93 57.93 3cys s PHE 53 Cb -0.06 -3.14 -0.02 0.00 0.51 0.00 0.00 43.02 40.32 3cys s PHE 53 CO 0.01 -0.26 0.20 0.45 0.70 0.00 0.00 175.22 176.32 3cys h HIS 54 N 3.49 -0.13 -4.18 0.36 3.86 -0.78 -3.47 115.15 114.30 3cys h HIS 54 Ca -0.47 -0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.17 3cys h HIS 54 Cb 1.21 0.04 -0.26 0.00 1.06 0.00 0.00 27.41 29.46 3cys h HIS 54 CO 0.59 -0.08 -0.84 1.03 0.86 0.00 0.00 177.93 179.50 3cys s ARG 55 N -1.92 1.37 -0.18 2.45 0.52 -1.17 -4.72 118.95 115.29 3cys s ARG 55 Ca -0.02 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.26 3cys s ARG 55 Cb 0.00 -1.46 0.06 0.00 0.52 0.00 0.00 34.95 34.07 3cys s ARG 55 CO 0.06 0.37 0.02 0.42 0.02 0.00 0.00 175.30 176.19 3cys s ILE 56 N -0.77 0.61 -0.08 1.52 1.01 -0.20 -2.26 121.20 121.02 3cys s ILE 56 Ca 0.07 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3cys s ILE 56 Cb -0.09 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.36 3cys s ILE 56 CO 0.01 -0.13 -0.12 -0.63 0.00 0.00 0.00 174.94 174.07 3cys s ILE 57 N 1.83 1.18 -0.39 2.92 1.01 -1.21 -3.40 121.20 123.15 3cys s ILE 57 Ca -0.01 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3cys s ILE 57 Cb -0.17 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3cys s ILE 57 CO -0.08 0.37 1.40 -2.16 0.00 0.00 0.00 174.94 174.47 3cys s PRO 58 N 0.81 3.64 0.00 2.79 0.04 -1.19 -3.21 135.00 137.87 3cys s PRO 58 Ca -0.12 1.02 0.00 0.00 0.04 0.00 0.00 61.00 61.94 3cys s PRO 58 Cb -0.15 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.39 3cys s PRO 58 CO 0.02 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 175.99 3cys n GLY 59 N 4.93 1.22 2.03 0.56 0.00 -1.26 -4.98 105.19 107.69 3cys n GLY 59 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.50 -2.06 -3.79 1.61 7.35 -1.20 -4.80 117.46 114.07 3cys n PHE 60 Ca 0.00 0.26 -0.04 0.00 -0.76 0.00 0.00 57.45 56.91 3cys n PHE 60 Cb 0.05 0.99 -0.01 0.00 0.35 0.00 0.00 39.48 40.86 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 -1.21 1.34 -0.34 -4.13 0.23 -1.23 -0.95 119.30 113.01 3cys s MET 61 Ca 0.00 -0.76 -0.00 0.00 -1.03 0.00 0.00 55.69 53.90 3cys s MET 61 Cb 0.00 0.44 0.14 0.00 -1.53 0.00 0.00 34.83 33.88 3cys s MET 61 CO 0.00 -0.61 0.24 0.00 -2.03 0.00 0.00 175.02 172.61 3cys s GLN 63 N 1.44 4.18 -0.06 0.00 0.74 -0.96 -4.15 119.66 120.85 3cys s GLN 63 Ca 0.15 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 55.95 3cys s GLN 63 Cb -0.19 -3.25 0.09 0.00 1.10 0.00 0.00 33.01 30.76 3cys s GLN 63 CO -0.10 0.60 0.81 0.20 -0.55 0.00 0.00 175.29 176.26 3cys s GLY 64 N -0.93 -0.46 0.00 2.59 0.00 -1.26 0.01 107.32 107.27 3cys s GLY 64 Ca 0.28 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.46 3cys s GLY 64 CO 0.18 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.72 3cys n GLY 65 N 0.58 -0.92 3.62 0.20 0.00 -1.26 -3.59 105.19 103.81 3cys n GLY 65 Ca -0.14 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3cys n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3cys s ASP 66 N 0.00 4.25 0.00 1.61 1.47 -1.26 -4.13 116.67 118.61 3cys s ASP 66 Ca 0.00 -0.86 0.00 0.00 1.18 0.00 0.00 52.55 52.87 3cys s ASP 66 Cb 0.00 -0.62 0.00 0.00 -0.34 0.00 0.00 42.92 41.96 3cys s ASP 66 CO 0.00 -0.11 0.00 0.49 0.68 0.00 0.00 175.17 176.23 3cys n PHE 67 N -0.89 -2.05 0.00 2.11 3.72 -1.26 -4.65 117.46 114.44 3cys n PHE 67 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3cys n PHE 67 Cb 0.61 0.47 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 3cys n PHE 67 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3cys n THR 68 N -2.44 0.00 -1.87 4.37 -2.24 -1.26 -4.78 114.28 106.07 3cys n THR 68 Ca 0.00 0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.66 3cys n THR 68 Cb 0.00 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 3cys n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3cys n ARG 69 N -2.47 3.06 -1.68 -0.78 5.12 -1.26 -4.88 116.66 113.77 3cys n ARG 69 Ca 0.00 -2.81 -0.17 0.00 -1.93 0.00 0.00 57.85 52.94 3cys n ARG 69 Cb 0.00 -3.19 -0.11 0.00 -1.16 0.00 0.00 32.46 28.00 3cys n ARG 69 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3cys s HIS 70 N 2.50 1.34 -0.16 -1.55 3.76 -1.26 -3.48 115.29 116.42 3cys s HIS 70 Ca 0.46 2.01 0.06 0.00 -0.15 0.00 0.00 55.06 57.44 3cys s HIS 70 Cb 0.13 -3.43 0.20 0.00 1.11 0.00 0.00 32.58 30.59 3cys s HIS 70 CO -0.07 -0.76 1.22 0.27 -0.85 0.00 0.00 174.74 174.55 3cys n ASN 71 N 18.85 -1.17 0.00 1.40 0.23 -1.26 -5.02 115.26 128.29 3cys n ASN 71 Ca 0.42 -2.02 0.00 0.00 -0.53 0.00 0.00 54.58 52.45 3cys n ASN 71 Cb 0.47 0.47 0.00 0.00 -2.08 0.00 0.00 39.78 38.64 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cys n GLY 72 N -0.75 1.75 2.60 4.83 0.00 -1.26 -4.75 105.19 107.61 3cys n GLY 72 Ca -0.22 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 4.57 -3.86 2.61 -2.24 -1.26 -4.87 114.28 109.23 3cys n THR 73 Ca 0.00 -3.87 -0.10 0.00 -2.27 0.00 0.00 64.05 57.81 3cys n THR 73 Cb 0.00 -2.33 -0.08 0.00 -2.10 0.00 0.00 70.33 65.81 3cys n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3cys s GLY 74 N 1.20 0.06 0.00 3.38 0.00 -1.23 -4.84 107.32 105.89 3cys s GLY 74 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.89 3cys s GLY 74 CO -0.06 -0.52 0.00 0.61 0.00 0.00 0.00 173.10 173.13 3cys n GLY 75 N 0.62 3.39 3.36 0.20 0.00 -1.26 -4.36 105.19 107.14 3cys n GLY 75 Ca -0.18 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 3cys n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cys s LYS 76 N -2.17 0.80 0.27 1.61 -2.85 -0.64 -4.77 119.74 111.99 3cys s LYS 76 Ca 0.00 0.07 0.11 0.00 -1.00 0.00 0.00 55.97 55.16 3cys s LYS 76 Cb 0.00 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 3cys s LYS 76 CO 0.00 -0.22 -0.16 -1.54 0.10 0.00 0.00 175.35 173.52 3cys s SER 77 N -1.09 3.78 0.54 0.03 1.04 -1.16 -4.27 113.70 112.56 3cys s SER 77 Ca -0.11 -0.93 0.20 0.00 0.48 0.00 0.00 55.95 55.59 3cys s SER 77 Cb -0.03 -0.41 1.42 0.00 0.10 0.00 0.00 66.02 67.10 3cys s SER 77 CO 0.06 0.04 2.18 0.16 0.98 0.00 0.00 173.24 176.66 3cys h ILE 78 N 2.29 0.87 0.00 -1.02 3.07 -1.92 -1.11 117.51 119.69 3cys h ILE 78 Ca -0.42 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.99 3cys h ILE 78 Cb 1.25 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 3cys h ILE 78 CO 0.59 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.47 3cys n TYR 79 N -4.35 0.00 0.00 0.16 4.01 -1.26 -4.81 117.16 110.90 3cys n TYR 79 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3cys n TYR 79 Cb 0.09 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.77 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 1.26 0.59 4.60 2.72 0.00 -0.48 -4.81 105.19 109.06 3cys n GLY 80 Ca 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3cys n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cys n GLU 81 N 0.00 0.00 -4.45 1.61 -0.58 -0.86 -4.79 120.64 111.57 3cys n GLU 81 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 3cys n GLU 81 Cb 0.00 -0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 3cys n GLU 81 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3cys s LYS 82 N 0.00 1.67 0.02 3.49 1.02 -1.26 -3.01 119.74 121.67 3cys s LYS 82 Ca 0.00 -1.94 -0.15 0.00 0.02 0.00 0.00 55.97 53.90 3cys s LYS 82 Cb 0.00 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.52 3cys s LYS 82 CO 0.00 -0.22 0.33 0.12 -0.92 0.00 0.00 175.35 174.66 3cys s PHE 83 N -3.32 -0.17 0.43 3.18 5.36 -1.08 -4.46 117.98 117.93 3cys s PHE 83 Ca 0.35 0.14 -0.10 0.00 -0.96 0.00 0.00 56.93 56.36 3cys s PHE 83 Cb 0.08 0.12 -0.06 0.00 -0.34 0.00 0.00 43.02 42.82 3cys s PHE 83 CO 0.15 -0.48 0.80 -1.21 -1.46 0.00 0.00 175.22 173.02 3cys s GLU 84 N -2.10 3.75 -0.02 10.12 8.01 -1.26 -4.13 118.70 133.06 3cys s GLU 84 Ca -0.08 0.48 -0.24 0.00 0.01 0.00 0.00 54.97 55.14 3cys s GLU 84 Cb -0.02 -2.35 -0.04 0.00 -4.31 0.00 0.00 34.13 27.40 3cys s GLU 84 CO -0.00 -0.11 0.72 0.16 0.01 0.00 0.00 175.26 176.04 3cys s ASP 85 N -3.34 7.06 -0.08 -0.19 -4.77 -1.26 -5.00 116.67 109.10 3cys s ASP 85 Ca 0.51 1.28 -0.08 0.00 -3.30 0.00 0.00 52.55 50.96 3cys s ASP 85 Cb -0.10 -2.43 -0.06 0.00 -1.09 0.00 0.00 42.92 39.24 3cys s ASP 85 CO 0.34 -0.06 0.32 -0.08 0.70 0.00 0.00 175.17 176.39 3cys h GLU 86 N 6.32 -0.16 0.00 2.11 4.57 -2.01 -3.50 114.58 121.90 3cys h GLU 86 Ca -0.42 0.01 0.27 0.00 -1.18 0.00 0.00 59.36 58.03 3cys h GLU 86 Cb 1.20 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.78 3cys h GLU 86 CO 0.73 0.00 0.76 0.27 -1.18 0.00 0.00 179.01 179.59 3cys n ASN 87 N -4.88 -1.34 -2.37 1.04 0.23 -1.26 -5.05 115.26 101.63 3cys n ASN 87 Ca -0.03 -1.48 -0.19 0.00 -0.53 0.00 0.00 54.58 52.35 3cys n ASN 87 Cb 0.12 2.13 0.02 0.00 -2.08 0.00 0.00 39.78 39.97 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 -0.81 2.46 0.25 -2.53 3.72 -1.26 -4.69 117.46 114.60 3cys n PHE 88 Ca 0.02 -2.51 0.13 0.00 -0.05 0.00 0.00 57.45 55.03 3cys n PHE 88 Cb 0.56 -0.25 0.62 0.00 -0.94 0.00 0.00 39.48 39.46 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 3.02 0.46 -3.58 4.37 2.04 -1.96 -3.44 117.51 118.42 3cys h ILE 89 Ca 0.20 -0.78 -0.46 0.00 1.00 0.00 0.00 64.86 64.83 3cys h ILE 89 Cb 1.28 1.55 0.12 0.00 -0.74 0.00 0.00 36.82 39.03 3cys h ILE 89 CO 0.65 0.14 0.32 -0.76 0.00 0.00 0.00 178.15 178.50 3cys s LEU 90 N -6.84 2.78 0.34 1.44 2.01 -1.26 -5.11 118.68 112.03 3cys s LEU 90 Ca -0.01 0.19 0.08 0.00 0.01 0.00 0.00 54.13 54.40 3cys s LEU 90 Cb 0.11 -2.44 -0.03 0.00 0.01 0.00 0.00 46.19 43.84 3cys s LEU 90 CO 0.59 -2.27 0.28 -0.54 1.01 0.00 0.00 176.35 175.43 3cys s LYS 91 N -5.58 1.80 -0.69 1.70 1.02 -1.26 -4.85 119.74 111.88 3cys s LYS 91 Ca 0.69 -2.05 -0.02 0.00 0.02 0.00 0.00 55.97 54.60 3cys s LYS 91 Cb -0.06 0.29 0.18 0.00 -0.52 0.00 0.00 37.83 37.72 3cys s LYS 91 CO 0.49 -0.66 0.52 -1.01 -0.92 0.00 0.00 175.35 173.77 3cys s HIS 92 N -3.39 3.51 0.29 3.18 3.76 -1.26 -4.92 115.29 116.46 3cys s HIS 92 Ca 0.40 -2.82 0.00 0.00 -0.15 0.00 0.00 55.06 52.50 3cys s HIS 92 Cb 0.02 -3.19 0.44 0.00 1.11 0.00 0.00 32.58 30.96 3cys s HIS 92 CO 0.28 -0.80 1.82 1.79 -0.85 0.00 0.00 174.74 176.98 3cys h THR 93 N 4.95 1.22 0.00 1.30 1.35 -1.95 -3.42 112.91 116.36 3cys h THR 93 Ca 0.03 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3cys h THR 93 Cb 0.91 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3cys h THR 93 CO 0.74 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 3cys n GLY 94 N -0.80 -0.53 3.79 5.82 0.00 -1.26 -4.91 105.19 107.30 3cys n GLY 94 Ca 0.03 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.50 4.02 0.00 1.61 0.04 -1.25 -3.97 135.00 134.94 3cys s PRO 95 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3cys s PRO 95 Cb 0.00 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3cys s PRO 95 CO 0.00 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.19 3cys n GLY 96 N 0.13 0.88 3.05 0.56 0.00 0.85 -4.90 105.19 105.76 3cys n GLY 96 Ca 0.07 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.17 2.02 -0.21 -0.61 -1.09 -1.04 -1.99 121.20 116.10 3cys s ILE 97 Ca 0.00 -1.48 -0.29 0.00 -2.23 0.00 0.00 60.65 56.65 3cys s ILE 97 Cb 0.00 -2.13 0.01 0.00 -1.58 0.00 0.00 42.46 38.76 3cys s ILE 97 CO 0.00 0.01 1.02 -0.22 -1.23 0.00 0.00 174.94 174.53 3cys s LEU 98 N 1.18 4.12 0.38 2.97 0.20 0.47 -0.21 118.68 127.79 3cys s LEU 98 Ca -0.07 1.39 0.04 0.00 0.69 0.00 0.00 54.13 56.17 3cys s LEU 98 Cb -0.19 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.01 3cys s LEU 98 CO -0.06 -0.62 0.10 -0.94 -0.29 0.00 0.00 176.35 174.54 3cys s SER 99 N 1.19 2.63 0.42 3.68 1.04 -0.54 -3.18 113.70 118.94 3cys s SER 99 Ca 0.44 -1.57 0.08 0.00 0.48 0.00 0.00 55.95 55.38 3cys s SER 99 Cb -0.16 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3cys s SER 99 CO 0.08 -0.82 0.52 -0.04 0.98 0.00 0.00 173.24 173.96 3cys s MET 100 N -3.79 2.76 -0.02 4.02 1.00 -0.13 0.25 119.30 123.39 3cys s MET 100 Ca 0.28 -1.31 0.02 0.00 0.00 0.00 0.00 55.69 54.67 3cys s MET 100 Cb 0.05 -2.66 0.00 0.00 0.00 0.00 0.00 34.83 32.22 3cys s MET 100 CO 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 175.02 174.85 3cys s ALA 101 N -2.38 0.62 0.14 3.03 0.00 -0.38 -4.45 121.76 118.34 3cys s ALA 101 Ca 0.53 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 3cys s ALA 101 Cb -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 3cys s ALA 101 CO 0.32 0.10 0.14 0.54 0.00 0.00 0.00 175.76 176.86 3cys s ASN 102 N 0.16 0.21 -0.09 0.00 2.20 -1.26 -4.38 114.94 111.78 3cys s ASN 102 Ca -0.02 -1.06 0.13 0.00 -0.94 0.00 0.00 52.86 50.97 3cys s ASN 102 Cb -0.06 0.35 0.21 0.00 -2.00 0.00 0.00 41.25 39.75 3cys s ASN 102 CO -0.00 -0.79 1.11 0.00 -2.94 0.00 0.00 177.10 174.48 3cys n ALA 103 N -0.13 2.30 0.00 3.54 0.00 -1.26 -5.01 120.51 119.94 3cys n ALA 103 Ca -0.07 -2.15 0.00 0.00 0.00 0.00 0.00 53.44 51.22 3cys n ALA 103 Cb 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.87 -0.49 3.64 0.00 0.00 -1.26 -5.04 105.19 101.18 3cys n GLY 104 Ca 0.11 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.95 4.05 -1.07 1.61 0.04 -1.26 -4.11 135.00 132.30 3cys s PRO 105 Ca 0.00 1.47 -0.22 0.00 0.04 0.00 0.00 61.00 62.29 3cys s PRO 105 Cb 0.00 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.73 3cys s PRO 105 CO 0.00 -0.95 0.65 0.27 0.04 0.00 0.00 177.00 177.02 3cys n ASN 106 N 7.23 -4.41 -0.00 6.66 6.94 -1.26 -4.84 115.26 125.58 3cys n ASN 106 Ca 0.15 -1.18 0.05 0.00 -0.02 0.00 0.00 54.58 53.57 3cys n ASN 106 Cb 0.46 -1.67 -0.07 0.00 -2.36 0.00 0.00 39.78 36.14 3cys n ASN 106 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3cys n THR 107 N -4.17 0.00 -1.55 5.53 -2.24 -1.26 -4.27 114.28 106.32 3cys n THR 107 Ca -0.19 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.00 3cys n THR 107 Cb 0.61 0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 69.19 3cys n THR 107 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3cys n ASN 108 N -1.74 2.24 -4.12 3.42 6.94 -1.26 -4.60 115.26 116.14 3cys n ASN 108 Ca -0.01 -0.45 -0.43 0.00 -0.02 0.00 0.00 54.58 53.67 3cys n ASN 108 Cb 0.23 -1.55 0.00 0.00 -2.36 0.00 0.00 39.78 36.11 3cys n ASN 108 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cys n GLY 109 N 6.03 4.47 2.43 4.83 0.00 -1.25 -2.62 105.19 119.08 3cys n GLY 109 Ca 0.38 -2.32 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 3cys n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cys n SER 110 N 3.33 -4.39 -4.32 1.61 3.41 -1.26 -1.63 113.62 110.38 3cys n SER 110 Ca 0.32 0.15 -0.46 0.00 -0.26 0.00 0.00 58.87 58.62 3cys n SER 110 Cb 0.37 -3.71 -0.04 0.00 -0.26 0.00 0.00 64.21 60.57 3cys n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cys s GLN 111 N -5.00 3.10 0.48 4.33 -0.21 -1.26 -4.58 119.66 116.52 3cys s GLN 111 Ca 0.00 -1.79 0.02 0.00 0.02 0.00 0.00 55.36 53.61 3cys s GLN 111 Cb 0.00 -4.33 0.09 0.00 1.00 0.00 0.00 33.01 29.78 3cys s GLN 111 CO 0.00 -1.35 0.67 1.19 -2.12 0.00 0.00 175.29 173.67 3cys n PHE 112 N 5.18 -2.87 -3.15 0.91 3.72 -1.24 -1.26 117.46 118.76 3cys n PHE 112 Ca -0.08 -1.35 0.05 0.00 -0.05 0.00 0.00 57.45 56.01 3cys n PHE 112 Cb 0.42 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 38.47 3cys n PHE 112 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3cys s PHE 113 N -1.94 -1.18 -0.13 1.38 5.36 0.14 -4.16 117.98 117.45 3cys s PHE 113 Ca 0.46 1.00 -0.22 0.00 -0.96 0.00 0.00 56.93 57.21 3cys s PHE 113 Cb -0.03 0.32 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 3cys s PHE 113 CO 0.30 -0.66 0.67 0.42 -1.46 0.00 0.00 175.22 174.49 3cys s ILE 114 N 2.90 5.03 -0.26 3.12 1.01 -1.26 -1.46 121.20 130.27 3cys s ILE 114 Ca 0.14 1.34 -0.27 0.00 0.00 0.00 0.00 60.65 61.86 3cys s ILE 114 Cb -0.10 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3cys s ILE 114 CO -0.20 0.18 0.93 0.00 0.00 0.00 0.00 174.94 175.86 3cys n THR 116 N 5.43 2.41 -3.91 0.00 -1.04 -0.12 -0.10 114.28 116.95 3cys n THR 116 Ca 0.08 -2.13 -0.01 0.00 -2.04 0.00 0.00 64.05 59.96 3cys n THR 116 Cb 0.47 -0.28 0.02 0.00 -1.82 0.00 0.00 70.33 68.71 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 -2.97 -1.89 -0.01 2.41 0.00 -1.24 -4.39 121.76 113.67 3cys s ALA 117 Ca 0.44 -0.18 -0.31 0.00 0.00 0.00 0.00 51.96 51.91 3cys s ALA 117 Cb 0.37 0.79 -0.09 0.00 0.00 0.00 0.00 23.12 24.19 3cys s ALA 117 CO 0.06 -1.09 1.99 1.17 0.00 0.00 0.00 175.76 177.89 3cys n LYS 118 N -0.75 2.67 -3.18 0.00 4.81 -1.26 -3.84 118.16 116.61 3cys n LYS 118 Ca -0.01 0.96 -0.24 0.00 -0.87 0.00 0.00 58.31 58.16 3cys n LYS 118 Cb 0.59 -2.97 -0.05 0.00 0.02 0.00 0.00 35.03 32.62 3cys n LYS 118 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3cys n THR 119 N 5.70 0.97 0.18 3.15 -2.24 -1.26 -4.90 114.28 115.88 3cys n THR 119 Ca 0.22 -4.80 0.07 0.00 -2.27 0.00 0.00 64.05 57.27 3cys n THR 119 Cb 0.39 -1.36 0.10 0.00 -2.10 0.00 0.00 70.33 67.37 3cys n THR 119 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3cys h GLU 120 N 3.50 0.00 -0.00 -0.78 4.81 -1.90 -2.90 114.58 117.31 3cys h GLU 120 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3cys h GLU 120 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3cys h GLU 120 CO 0.63 0.25 -0.31 -2.67 -0.73 0.00 0.00 179.01 176.18 3cys n TRP 121 N -3.16 0.00 0.74 0.92 2.14 -1.26 -2.87 117.44 113.95 3cys n TRP 121 Ca 0.03 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.68 3cys n TRP 121 Cb 0.63 -0.27 -0.05 0.00 -0.81 0.00 0.00 31.31 30.81 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 -1.29 1.16 -4.70 5.67 4.77 -1.13 -4.90 117.00 116.58 3cys n LEU 122 Ca 0.08 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 3cys n LEU 122 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3cys n LEU 122 CO 0.30 0.25 1.10 -0.62 -1.33 0.00 0.00 177.39 177.09 3cys s ASP 123 N -2.25 6.85 0.00 -1.43 -1.08 -1.11 -2.18 116.67 115.46 3cys s ASP 123 Ca 0.09 2.17 0.00 0.00 -0.52 0.00 0.00 52.55 54.30 3cys s ASP 123 Cb 0.13 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 3cys s ASP 123 CO 0.55 -0.70 0.00 0.61 0.52 0.00 0.00 175.17 176.15 3cys n GLY 124 N 3.60 1.31 0.61 2.66 0.00 -1.26 -4.83 105.19 107.28 3cys n GLY 124 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 1.62 -3.85 1.61 0.00 -0.93 -4.96 118.16 109.65 3cys n LYS 125 Ca 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 58.31 56.94 3cys n LYS 125 Cb 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 35.03 33.54 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 -2.10 0.08 -0.20 5.64 3.76 -1.22 -4.85 115.29 116.40 3cys s HIS 126 Ca 0.20 -0.35 -0.17 0.00 -0.15 0.00 0.00 55.06 54.58 3cys s HIS 126 Cb 0.17 -0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.78 3cys s HIS 126 CO 0.42 -0.45 0.47 0.08 -0.85 0.00 0.00 174.74 174.42 3cys s VAL 127 N -2.85 5.14 -0.18 -0.90 1.01 -1.26 -4.85 120.40 116.52 3cys s VAL 127 Ca -0.03 0.86 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 3cys s VAL 127 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3cys s VAL 127 CO -0.05 0.20 0.03 -0.69 0.00 0.00 0.00 175.10 174.59 3cys s VAL 128 N 1.54 4.50 0.00 2.92 1.01 -1.26 -0.96 120.40 128.15 3cys s VAL 128 Ca 0.22 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3cys s VAL 128 Cb -0.15 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.26 3cys s VAL 128 CO 0.09 0.47 0.85 2.22 0.00 0.00 0.00 175.10 178.73 3cys n PHE 129 N 3.57 0.00 -3.65 5.22 -1.74 -1.19 -4.73 117.46 114.95 3cys n PHE 129 Ca -0.17 -0.30 -0.11 0.00 -0.56 0.00 0.00 57.45 56.31 3cys n PHE 129 Cb 0.52 0.31 -0.07 0.00 1.52 0.00 0.00 39.48 41.76 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 -0.78 -0.55 0.15 4.97 0.00 -1.23 -2.96 107.32 106.92 3cys s GLY 130 Ca 0.04 2.09 0.10 0.00 0.00 0.00 0.00 44.72 46.94 3cys s GLY 130 CO -0.02 1.94 -0.20 0.54 0.00 0.00 0.00 173.10 175.37 3cys s LYS 131 N 0.92 1.70 -0.69 2.90 3.01 -0.96 -0.40 119.74 126.21 3cys s LYS 131 Ca -0.04 -1.30 -0.17 0.00 -1.01 0.00 0.00 55.97 53.45 3cys s LYS 131 Cb -0.05 -2.02 0.15 0.00 -1.01 0.00 0.00 37.83 34.90 3cys s LYS 131 CO -0.08 0.45 0.71 0.08 0.51 0.00 0.00 175.35 177.02 3cys s VAL 132 N -1.34 5.17 -0.03 3.17 1.01 -0.84 -2.08 120.40 125.46 3cys s VAL 132 Ca 0.19 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.26 3cys s VAL 132 Cb -0.10 -4.47 -0.17 0.00 0.00 0.00 0.00 36.38 31.64 3cys s VAL 132 CO 0.10 -1.07 1.09 0.50 0.00 0.00 0.00 175.10 175.73 3cys h LYS 133 N 8.62 -0.19 -3.42 2.72 1.63 -1.90 -3.46 116.57 120.57 3cys h LYS 133 Ca -0.12 0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.49 3cys h LYS 133 Cb 1.07 0.04 -0.28 0.00 -0.60 0.00 0.00 32.23 32.47 3cys h LYS 133 CO 0.97 0.23 -0.59 -2.00 -3.45 0.00 0.00 179.45 174.62 3cys s GLU 134 N -4.00 0.13 0.00 1.90 2.12 -1.26 -4.84 118.70 112.75 3cys s GLU 134 Ca -0.14 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.39 3cys s GLU 134 Cb 0.01 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.42 3cys s GLU 134 CO 0.56 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 3cys n GLY 135 N 3.23 1.15 0.39 -1.50 0.00 -1.26 -1.60 105.19 105.59 3cys n GLY 135 Ca -0.15 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 0.63 0.42 0.00 1.61 2.86 -1.88 0.14 114.93 118.70 3cys h MET 136 Ca 0.00 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3cys h MET 136 Cb 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3cys h MET 136 CO 0.00 0.28 -0.33 -2.95 1.06 0.00 0.00 176.91 174.97 3cys h ASN 137 N 0.43 0.00 -0.04 1.22 7.08 -1.97 0.18 115.58 122.47 3cys h ASN 137 Ca 0.41 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.41 3cys h ASN 137 Cb 0.96 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.21 3cys h ASN 137 CO -0.15 0.33 -0.80 0.40 -2.08 0.00 0.00 177.43 175.13 3cys h ILE 138 N 0.00 1.30 -0.43 6.14 1.08 -1.11 -1.58 117.51 122.90 3cys h ILE 138 Ca -0.00 -2.04 -0.10 0.00 -0.39 0.00 0.00 64.86 62.32 3cys h ILE 138 Cb 0.77 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.55 3cys h ILE 138 CO 0.04 0.64 -0.14 0.58 -0.69 0.00 0.00 178.15 178.58 3cys h VAL 139 N 0.47 1.26 -0.17 1.67 2.07 -0.63 -2.40 116.25 118.51 3cys h VAL 139 Ca -0.06 -1.23 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 3cys h VAL 139 Cb 1.42 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3cys h VAL 139 CO 0.16 0.42 -0.29 -0.08 0.02 0.00 0.00 177.57 177.80 3cys h GLU 140 N 0.72 0.34 0.64 1.57 4.81 -0.60 -1.23 114.58 120.82 3cys h GLU 140 Ca 0.11 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3cys h GLU 140 Cb 0.64 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3cys h GLU 140 CO 0.04 0.60 -0.31 0.00 -0.73 0.00 0.00 179.01 178.62 3cys h ALA 141 N 1.40 -0.86 0.00 2.92 0.00 -0.96 -3.04 119.26 118.72 3cys h ALA 141 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3cys h ALA 141 Cb 0.67 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3cys h ALA 141 CO 0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 179.25 178.45 3cys h MET 142 N -1.20 0.00 -0.81 0.00 -0.00 -1.45 -1.50 114.93 109.97 3cys h MET 142 Ca -0.09 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.64 3cys h MET 142 Cb 0.68 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.23 3cys h MET 142 CO 0.15 0.03 0.52 0.93 -0.00 0.00 0.00 176.91 178.54 3cys h GLU 143 N 0.00 0.98 -0.83 -0.10 5.08 -1.11 -2.38 114.58 116.23 3cys h GLU 143 Ca -0.00 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.03 3cys h GLU 143 Cb 0.23 -0.22 -0.16 0.00 0.50 0.00 0.00 28.75 29.10 3cys h GLU 143 CO 0.00 0.65 0.34 2.89 -1.00 0.00 0.00 179.01 181.90 3cys n ARG 144 N -4.58 3.22 -0.00 2.33 1.85 -0.57 -3.19 116.66 115.72 3cys n ARG 144 Ca 0.10 -2.82 0.09 0.00 -1.00 0.00 0.00 57.85 54.21 3cys n ARG 144 Cb 0.08 -2.14 -0.12 0.00 -1.05 0.00 0.00 32.46 29.24 3cys n ARG 144 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3cys n PHE 145 N -0.32 0.00 0.00 2.89 -0.00 -0.89 -4.89 117.46 114.25 3cys n PHE 145 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.87 3cys n PHE 145 Cb 1.38 -0.22 0.00 0.00 -0.00 0.00 0.00 39.48 40.64 3cys n PHE 145 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3cys n GLY 146 N 1.45 0.63 0.91 7.13 0.00 -1.24 -3.83 105.19 110.25 3cys n GLY 146 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.41 0.00 1.61 7.64 -1.22 -4.72 113.62 111.51 3cys n SER 147 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 3cys n SER 147 Cb 0.00 -2.78 0.00 0.00 -1.01 0.00 0.00 64.21 60.42 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 -3.13 0.00 0.02 1.43 3.00 -1.26 -1.29 116.66 115.43 3cys n ARG 148 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 3cys n ARG 148 Cb 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.80 3cys n ARG 148 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3cys n ASN 149 N 1.54 0.45 -0.87 6.15 0.23 -1.26 -4.96 115.26 116.53 3cys n ASN 149 Ca 0.00 -0.10 -0.09 0.00 -0.53 0.00 0.00 54.58 53.87 3cys n ASN 149 Cb 0.00 1.24 -0.01 0.00 -2.08 0.00 0.00 39.78 38.93 3cys n ASN 149 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cys n GLY 150 N 1.30 0.35 2.27 4.83 0.00 -0.41 -4.94 105.19 108.59 3cys n GLY 150 Ca -0.01 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 3cys n GLY 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 151 N -2.12 0.89 -0.21 1.61 4.81 -1.26 -1.03 118.16 120.84 3cys n LYS 151 Ca -0.10 -3.10 0.03 0.00 -0.87 0.00 0.00 58.31 54.27 3cys n LYS 151 Cb 0.48 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 34.04 3cys n LYS 151 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3cys n THR 152 N 0.69 0.00 -2.00 3.15 -2.24 -1.26 -4.77 114.28 107.85 3cys n THR 152 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 3cys n THR 152 Cb 0.62 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3cys n THR 152 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cys n SER 153 N -3.84 0.00 0.00 3.42 3.41 -1.25 -4.73 113.62 110.63 3cys n SER 153 Ca 0.00 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 3cys n SER 153 Cb 0.10 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3cys n SER 153 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cys n LYS 154 N 0.00 0.00 -3.15 4.33 5.02 -1.26 -5.12 118.16 117.98 3cys n LYS 154 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 3cys n LYS 154 Cb 0.60 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.61 3cys n LYS 154 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3cys s LYS 155 N 1.13 0.37 -0.16 1.97 2.20 -1.26 -5.04 119.74 118.95 3cys s LYS 155 Ca 0.00 0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.83 3cys s LYS 155 Cb 0.00 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.45 3cys s LYS 155 CO 0.00 -0.68 0.38 0.42 -0.36 0.00 0.00 175.35 175.11 3cys s ILE 156 N 2.89 5.24 -0.02 5.43 -1.09 -1.26 -0.41 121.20 131.97 3cys s ILE 156 Ca 0.18 0.71 -0.01 0.00 -2.23 0.00 0.00 60.65 59.30 3cys s ILE 156 Cb -0.07 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 3cys s ILE 156 CO -0.24 0.32 0.04 0.42 -1.23 0.00 0.00 174.94 174.26 3cys s THR 157 N 0.81 -0.01 -0.02 2.92 -4.23 -0.97 -4.46 115.64 109.68 3cys s THR 157 Ca 0.20 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.46 3cys s THR 157 Cb -0.14 -0.08 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 3cys s THR 157 CO 0.07 0.02 1.23 -0.63 -0.54 0.00 0.00 174.62 174.77 3cys s ILE 158 N 0.31 4.13 -0.05 2.99 -1.09 -1.21 -0.14 121.20 126.13 3cys s ILE 158 Ca -0.02 1.49 -0.09 0.00 -2.23 0.00 0.00 60.65 59.79 3cys s ILE 158 Cb -0.03 -3.95 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 3cys s ILE 158 CO -0.01 0.03 0.41 0.00 -1.23 0.00 0.00 174.94 174.14 3cys h ALA 159 N 7.34 -0.36 -2.82 9.38 0.00 -1.50 -3.36 119.26 127.95 3cys h ALA 159 Ca -0.37 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.48 3cys h ALA 159 Cb 1.18 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 3cys h ALA 159 CO 0.87 -0.33 0.28 -0.51 0.00 0.00 0.00 179.25 179.55 3cys s ASP 160 N -4.96 -0.52 0.17 0.00 1.01 -1.25 -4.89 116.67 106.24 3cys s ASP 160 Ca -0.05 -0.01 0.02 0.00 0.71 0.00 0.00 52.55 53.23 3cys s ASP 160 Cb 0.00 0.55 -0.05 0.00 1.01 0.00 0.00 42.92 44.44 3cys s ASP 160 CO 0.15 -0.89 -0.01 0.00 0.21 0.00 0.00 175.17 174.63 3cys s GLY 162 N -3.18 -0.20 -0.02 0.00 0.00 -0.56 -4.87 107.32 98.48 3cys s GLY 162 Ca 0.23 0.16 0.08 0.00 0.00 0.00 0.00 44.72 45.18 3cys s GLY 162 CO 0.04 6.36 -0.25 1.62 0.00 0.00 0.00 173.10 180.86 3cys s GLN 163 N -2.01 2.11 -1.21 2.90 0.74 -1.26 -1.48 119.66 119.45 3cys s GLN 163 Ca 0.31 -0.90 -0.13 0.00 0.05 0.00 0.00 55.36 54.68 3cys s GLN 163 Cb 0.00 -2.01 0.18 0.00 1.10 0.00 0.00 33.01 32.28 3cys s GLN 163 CO -0.02 0.52 1.44 1.28 -0.55 0.00 0.00 175.29 177.96 3cys n LEU 164 N 2.52 5.26 0.00 3.68 4.77 -0.75 -4.97 117.00 127.50 3cys n LEU 164 Ca -0.16 -4.48 0.00 0.00 -0.03 0.00 0.00 56.01 51.33 3cys n LEU 164 Cb 0.51 -1.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 3cys n LEU 164 CO 0.23 0.76 0.00 1.21 -1.33 0.00 0.00 177.39 178.27