#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 2.75 -0.21 2.03 0.11 -1.26 -4.87 120.40 118.96 3cys s VAL 2 Ca 0.00 0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 59.61 3cys s VAL 2 Cb 0.00 -3.38 0.07 0.00 -1.53 0.00 0.00 36.38 31.54 3cys s VAL 2 CO 0.00 0.08 0.06 0.20 -3.33 0.00 0.00 175.10 172.11 3cys s ASN 3 N 0.64 2.94 1.03 3.54 0.01 -1.26 -3.76 114.94 118.07 3cys s ASN 3 Ca 0.62 -0.89 -0.16 0.00 -0.71 0.00 0.00 52.86 51.73 3cys s ASN 3 Cb -0.41 -0.52 0.21 0.00 0.41 0.00 0.00 41.25 40.94 3cys s ASN 3 CO 0.38 -0.34 1.19 -2.16 -1.51 0.00 0.00 177.10 174.67 3cys s PRO 4 N 1.92 0.14 0.11 -0.60 0.04 -1.26 -4.83 135.00 130.52 3cys s PRO 4 Ca 0.01 -0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.01 3cys s PRO 4 Cb -0.17 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3cys s PRO 4 CO -0.12 -2.80 -0.10 0.99 0.04 0.00 0.00 177.00 175.01 3cys s THR 5 N -3.40 0.99 0.28 1.26 2.01 -0.29 -3.10 115.64 113.39 3cys s THR 5 Ca 0.70 -1.82 0.02 0.00 0.31 0.00 0.00 61.69 60.90 3cys s THR 5 Cb -0.09 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 3cys s THR 5 CO 0.54 -0.66 0.11 0.68 -0.69 0.00 0.00 174.62 174.60 3cys s VAL 6 N -2.88 0.54 -0.21 3.82 -7.23 -0.82 -0.02 120.40 113.59 3cys s VAL 6 Ca 0.10 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.04 3cys s VAL 6 Cb -0.00 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.40 3cys s VAL 6 CO -0.00 0.00 0.63 0.72 -0.31 0.00 0.00 175.10 176.14 3cys s PHE 7 N -3.67 -0.68 -0.02 2.82 -0.71 -0.98 -0.29 117.98 114.45 3cys s PHE 7 Ca 0.37 1.59 0.04 0.00 -1.04 0.00 0.00 56.93 57.89 3cys s PHE 7 Cb 0.07 0.26 -0.01 0.00 -1.21 0.00 0.00 43.02 42.13 3cys s PHE 7 CO 0.15 -0.37 -0.14 -0.06 -1.34 0.00 0.00 175.22 173.45 3cys s PHE 8 N 0.09 1.34 -0.22 3.49 0.40 -1.26 -0.12 117.98 121.69 3cys s PHE 8 Ca -0.02 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.86 3cys s PHE 8 Cb -0.04 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 3cys s PHE 8 CO 0.02 -0.06 0.42 0.34 0.70 0.00 0.00 175.22 176.65 3cys s ASP 9 N -0.21 6.42 -0.26 1.36 -1.08 -0.95 -3.49 116.67 118.45 3cys s ASP 9 Ca 0.03 0.50 -0.14 0.00 -0.52 0.00 0.00 52.55 52.41 3cys s ASP 9 Cb -0.07 -2.24 -0.04 0.00 -1.46 0.00 0.00 42.92 39.11 3cys s ASP 9 CO 0.00 -0.14 0.35 -0.63 0.52 0.00 0.00 175.17 175.28 3cys s ILE 10 N 1.62 5.19 -0.18 4.11 1.09 -1.03 -1.29 121.20 130.72 3cys s ILE 10 Ca 0.19 0.54 -0.01 0.00 -1.10 0.00 0.00 60.65 60.27 3cys s ILE 10 Cb -0.15 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.57 3cys s ILE 10 CO 0.09 0.18 -0.13 0.00 -0.10 0.00 0.00 174.94 174.97 3cys s ALA 11 N 1.93 2.55 -0.66 9.38 0.00 0.99 -0.72 121.76 135.23 3cys s ALA 11 Ca 0.14 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 3cys s ALA 11 Cb -0.16 -1.34 0.13 0.00 0.00 0.00 0.00 23.12 21.75 3cys s ALA 11 CO 0.10 -0.19 0.74 0.08 0.00 0.00 0.00 175.76 176.49 3cys s VAL 12 N 1.06 4.98 -0.46 0.00 1.01 0.29 -0.45 120.40 126.83 3cys s VAL 12 Ca -0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.48 3cys s VAL 12 Cb -0.15 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.75 3cys s VAL 12 CO -0.03 -1.13 0.60 0.47 0.00 0.00 0.00 175.10 175.01 3cys n ASP 13 N 5.87 -7.89 -3.91 3.32 8.00 -0.90 -3.22 116.55 117.82 3cys n ASP 13 Ca -0.02 0.47 -0.31 0.00 0.71 0.00 0.00 54.79 55.63 3cys n ASP 13 Cb 0.44 -5.35 -0.02 0.00 -0.02 0.00 0.00 41.12 36.16 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 -0.47 -0.46 3.05 0.44 0.00 -1.26 -4.92 105.19 101.57 3cys n GLY 14 Ca 0.11 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.59 0.23 -0.25 1.61 2.56 -1.20 -5.12 118.70 109.94 3cys s GLU 15 Ca 0.62 0.76 -0.29 0.00 0.00 0.00 0.00 54.97 56.06 3cys s GLU 15 Cb -0.34 -0.09 -0.01 0.00 2.00 0.00 0.00 34.13 35.70 3cys s GLU 15 CO 0.76 -0.36 1.33 -1.25 -0.56 0.00 0.00 175.26 175.18 3cys s PRO 16 N 2.49 3.99 -0.02 4.30 0.04 -1.26 0.10 135.00 144.64 3cys s PRO 16 Ca 0.02 1.41 -0.18 0.00 0.04 0.00 0.00 61.00 62.29 3cys s PRO 16 Cb -0.13 -3.86 -0.33 0.00 0.04 0.00 0.00 34.50 30.22 3cys s PRO 16 CO -0.11 -1.02 0.88 1.25 0.04 0.00 0.00 177.00 178.04 3cys h LEU 17 N 10.64 0.63 0.00 -3.56 5.85 -1.28 -3.48 115.31 124.12 3cys h LEU 17 Ca -0.27 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.52 3cys h LEU 17 Cb 1.11 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3cys h LEU 17 CO 1.01 1.59 0.00 0.61 -0.34 0.00 0.00 178.44 181.31 3cys n GLY 18 N 1.71 1.13 3.59 3.75 0.00 -1.21 -5.00 105.19 109.16 3cys n GLY 18 Ca -0.17 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.85 3.48 -0.14 1.61 0.52 -1.26 -2.46 118.95 118.85 3cys s ARG 19 Ca 0.00 -0.45 -0.08 0.00 -0.52 0.00 0.00 55.73 54.68 3cys s ARG 19 Cb 0.00 -2.92 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 3cys s ARG 19 CO 0.00 0.42 -0.16 0.28 0.02 0.00 0.00 175.30 175.86 3cys h VAL 20 N 4.73 0.01 -1.12 3.52 2.07 -1.85 -3.44 116.25 120.17 3cys h VAL 20 Ca -0.39 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3cys h VAL 20 Cb 1.19 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3cys h VAL 20 CO 0.61 0.00 -0.12 -1.20 0.02 0.00 0.00 177.57 176.88 3cys n SER 21 N -4.63 -2.92 -4.16 0.57 7.64 -1.26 -3.82 113.62 105.04 3cys n SER 21 Ca -0.07 0.18 -0.24 0.00 1.01 0.00 0.00 58.87 59.75 3cys n SER 21 Cb 0.24 -0.92 -0.15 0.00 -1.01 0.00 0.00 64.21 62.37 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 -0.43 1.49 0.19 1.43 0.40 0.60 -1.62 117.98 120.04 3cys s PHE 22 Ca 0.00 -0.30 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 3cys s PHE 22 Cb 0.00 -0.94 -0.07 0.00 0.51 0.00 0.00 43.02 42.52 3cys s PHE 22 CO 0.00 -0.00 0.56 -1.21 0.70 0.00 0.00 175.22 175.27 3cys s GLU 23 N -0.58 3.92 -0.10 0.44 2.02 0.70 -1.95 118.70 123.15 3cys s GLU 23 Ca 0.06 0.43 0.01 0.00 0.02 0.00 0.00 54.97 55.49 3cys s GLU 23 Cb -0.07 -2.80 0.02 0.00 0.10 0.00 0.00 34.13 31.38 3cys s GLU 23 CO -0.00 0.40 -0.11 -0.51 0.02 0.00 0.00 175.26 175.07 3cys s LEU 24 N -2.31 1.46 -1.48 1.80 1.43 -1.18 -1.80 118.68 116.60 3cys s LEU 24 Ca 0.42 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 3cys s LEU 24 Cb -0.13 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.23 3cys s LEU 24 CO 0.20 -0.04 2.36 0.49 0.23 0.00 0.00 176.35 179.59 3cys n PHE 25 N 4.39 3.24 0.25 0.29 3.72 -0.92 -4.13 117.46 124.30 3cys n PHE 25 Ca -0.18 -2.99 0.10 0.00 -0.05 0.00 0.00 57.45 54.33 3cys n PHE 25 Cb 0.51 -2.49 0.64 0.00 -0.94 0.00 0.00 39.48 37.20 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 5.74 1.42 -0.55 4.37 0.00 -1.81 -0.39 119.26 128.04 3cys h ALA 26 Ca 0.62 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.48 3cys h ALA 26 Cb 0.56 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3cys h ALA 26 CO 1.84 0.19 0.37 0.22 0.00 0.00 0.00 179.25 181.87 3cys h ASP 27 N 0.00 0.35 0.08 0.00 3.58 -1.83 -1.11 116.42 117.48 3cys h ASP 27 Ca -0.00 0.01 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 3cys h ASP 27 Cb 0.34 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 3cys h ASP 27 CO 0.02 0.22 -1.85 0.29 -2.88 0.00 0.00 179.24 175.04 3cys n LYS 28 N -4.47 0.69 -3.37 0.28 4.01 -0.30 -4.77 118.16 110.23 3cys n LYS 28 Ca 0.08 0.34 -0.27 0.00 -0.51 0.00 0.00 58.31 57.96 3cys n LYS 28 Cb 0.33 -1.70 -0.10 0.00 -0.51 0.00 0.00 35.03 33.06 3cys n LYS 28 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3cys n VAL 29 N -3.77 -1.02 0.50 -0.18 0.24 -0.35 -4.93 118.33 108.82 3cys n VAL 29 Ca -0.34 -3.58 0.13 0.00 -2.04 0.00 0.00 64.34 58.50 3cys n VAL 29 Cb 0.93 -1.72 0.45 0.00 -1.47 0.00 0.00 33.84 32.03 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 2.55 0.24 0.05 7.34 -0.04 -0.46 -1.58 135.00 143.10 3cys n PRO 30 Ca 0.28 0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.85 3cys n PRO 30 Cb 0.48 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 3cys n PRO 30 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3cys h LYS 31 N 0.00 0.33 -0.16 0.54 1.79 -1.92 -2.90 116.57 114.26 3cys h LYS 31 Ca 0.00 -0.57 -0.16 0.00 -2.18 0.00 0.00 60.65 57.74 3cys h LYS 31 Cb 0.56 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 3cys h LYS 31 CO 0.00 1.27 -0.58 1.15 -1.08 0.00 0.00 179.45 180.21 3cys h THR 32 N -0.11 1.33 -0.09 -0.16 2.02 -1.94 -2.82 112.91 111.13 3cys h THR 32 Ca -0.30 -1.86 -0.10 0.00 0.77 0.00 0.00 66.41 64.91 3cys h THR 32 Cb 1.92 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 70.16 3cys h THR 32 CO 0.13 0.57 -0.41 0.00 0.37 0.00 0.00 175.52 176.18 3cys h ALA 33 N 0.99 1.14 -0.99 6.16 0.00 -1.43 -2.96 119.26 122.17 3cys h ALA 33 Ca 0.00 -0.41 0.22 0.00 0.00 0.00 0.00 54.91 54.72 3cys h ALA 33 Cb 1.12 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 3cys h ALA 33 CO 0.11 0.58 0.58 1.49 0.00 0.00 0.00 179.25 182.01 3cys h GLU 34 N 0.17 0.62 0.21 0.00 4.81 -1.27 0.11 114.58 119.22 3cys h GLU 34 Ca 0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3cys h GLU 34 Cb 0.80 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3cys h GLU 34 CO 0.06 0.41 -0.44 -0.91 -0.73 0.00 0.00 179.01 177.41 3cys h ASN 35 N 0.64 -1.27 -0.93 1.04 2.35 -1.60 0.16 115.58 115.96 3cys h ASN 35 Ca 0.61 0.12 0.05 0.00 -0.55 0.00 0.00 56.30 56.54 3cys h ASN 35 Cb 1.07 0.45 -0.06 0.00 0.05 0.00 0.00 38.32 39.84 3cys h ASN 35 CO -0.44 -0.50 0.59 -0.26 -1.65 0.00 0.00 177.43 175.17 3cys h PHE 36 N -0.70 1.10 0.06 1.19 0.04 -1.27 0.34 116.94 117.71 3cys h PHE 36 Ca -0.02 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3cys h PHE 36 Cb 0.67 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3cys h PHE 36 CO -0.36 0.59 -0.03 -0.09 -0.60 0.00 0.00 178.31 177.82 3cys h ARG 37 N 1.10 -0.08 -0.01 1.51 9.65 -0.34 -2.55 114.38 123.66 3cys h ARG 37 Ca 0.39 0.01 -0.23 0.00 -1.10 0.00 0.00 59.98 59.05 3cys h ARG 37 Cb 0.11 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 3cys h ARG 37 CO -0.15 -0.02 -0.93 0.00 2.80 0.00 0.00 179.97 181.67 3cys h ALA 38 N 0.81 0.35 0.00 2.80 0.00 -0.38 -3.19 119.26 119.65 3cys h ALA 38 Ca -0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 3cys h ALA 38 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3cys h ALA 38 CO 0.01 0.79 -0.30 -0.07 0.00 0.00 0.00 179.25 179.69 3cys h LEU 39 N 0.27 0.00 0.27 0.00 3.38 -0.87 0.40 115.31 118.76 3cys h LEU 39 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3cys h LEU 39 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 3cys h LEU 39 CO 0.17 0.30 -0.13 -1.28 0.09 0.00 0.00 178.44 177.58 3cys h SER 40 N 0.00 -0.30 0.43 -0.43 0.87 -1.44 -3.27 113.55 109.41 3cys h SER 40 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3cys h SER 40 Cb 0.72 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 3cys h SER 40 CO 0.04 0.17 -0.09 1.07 -0.53 0.00 0.00 176.83 177.49 3cys n THR 41 N -5.03 0.00 -2.07 2.23 5.66 -1.10 -4.60 114.28 109.36 3cys n THR 41 Ca -0.08 -0.04 -0.12 0.00 -3.05 0.00 0.00 64.05 60.76 3cys n THR 41 Cb 0.26 -0.21 -0.01 0.00 -1.55 0.00 0.00 70.33 68.82 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 1.29 0.13 0.28 1.09 0.00 0.13 -4.89 105.19 103.22 3cys n GLY 42 Ca 0.14 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.82 3cys n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cys h GLU 43 N 0.00 0.51 -0.00 1.61 4.81 -1.44 0.50 114.58 120.56 3cys h GLU 43 Ca -0.28 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3cys h GLU 43 Cb 1.14 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3cys h GLU 43 CO 0.34 0.34 -0.06 1.63 -0.73 0.00 0.00 179.01 180.53 3cys n LYS 44 N -4.94 0.30 0.00 1.92 4.01 -1.26 -4.86 118.16 113.33 3cys n LYS 44 Ca 0.14 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 3cys n LYS 44 Cb 0.39 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.41 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3cys n GLY 45 N 1.37 1.44 3.29 0.72 0.00 0.17 -5.08 105.19 107.10 3cys n GLY 45 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3cys n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cys s PHE 46 N -1.48 1.42 0.07 1.61 -0.71 -1.25 -4.98 117.98 112.65 3cys s PHE 46 Ca 0.00 -1.04 -0.11 0.00 -1.04 0.00 0.00 56.93 54.74 3cys s PHE 46 Cb 0.00 -0.82 0.04 0.00 -1.21 0.00 0.00 43.02 41.02 3cys s PHE 46 CO 0.00 -0.20 0.52 0.41 -1.34 0.00 0.00 175.22 174.61 3cys n GLY 47 N -0.37 0.87 2.45 1.99 0.00 -1.26 -4.23 105.19 104.65 3cys n GLY 47 Ca -0.04 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.36 2.67 -3.83 1.61 4.01 -1.23 -4.75 117.16 115.28 3cys n TYR 48 Ca -0.00 -3.00 -0.29 0.00 -0.16 0.00 0.00 57.90 54.44 3cys n TYR 48 Cb 0.28 -2.33 -0.13 0.00 -0.31 0.00 0.00 39.34 36.85 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 1.49 1.75 0.00 -0.72 -0.14 -1.26 -4.68 119.74 116.18 3cys s LYS 49 Ca 0.61 -2.48 0.00 0.00 -1.36 0.00 0.00 55.97 52.74 3cys s LYS 49 Cb 0.17 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 3cys s LYS 49 CO -0.07 -1.17 0.00 0.41 -0.76 0.00 0.00 175.35 173.77 3cys n GLY 50 N 3.09 1.74 3.16 -3.33 0.00 -1.26 -5.12 105.19 103.47 3cys n GLY 50 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3cys n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cys s SER 51 N 0.00 0.19 -0.00 1.61 0.15 -1.26 -4.87 113.70 109.51 3cys s SER 51 Ca 0.00 -0.65 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 3cys s SER 51 Cb 0.00 0.28 -0.00 0.00 -1.71 0.00 0.00 66.02 64.59 3cys s SER 51 CO 0.00 -0.63 -0.03 0.00 1.20 0.00 0.00 173.24 173.78 3cys s PHE 53 N -1.29 1.24 0.00 0.00 0.08 -1.26 -4.40 117.98 112.35 3cys s PHE 53 Ca -0.02 -1.12 0.05 0.00 0.12 0.00 0.00 56.93 55.95 3cys s PHE 53 Cb 0.00 -0.70 0.08 0.00 -0.57 0.00 0.00 43.02 41.83 3cys s PHE 53 CO 0.04 -0.32 0.90 -2.39 -0.10 0.00 0.00 175.22 173.34 3cys n HIS 54 N -0.28 0.00 -3.15 0.36 1.44 -1.24 -4.95 115.22 107.41 3cys n HIS 54 Ca -0.04 -0.15 0.05 0.00 -2.01 0.00 0.00 57.72 55.58 3cys n HIS 54 Cb 0.64 0.07 -0.01 0.00 0.12 0.00 0.00 29.99 30.82 3cys n HIS 54 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3cys s ARG 55 N 0.00 0.22 -0.08 -1.40 1.81 -1.24 -4.92 118.95 113.34 3cys s ARG 55 Ca 0.06 0.29 0.02 0.00 -1.72 0.00 0.00 55.73 54.38 3cys s ARG 55 Cb 0.07 0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.73 3cys s ARG 55 CO -0.03 -0.33 -0.13 0.42 -0.68 0.00 0.00 175.30 174.55 3cys s ILE 56 N 2.94 1.26 -0.10 1.52 1.01 -1.26 -0.73 121.20 125.83 3cys s ILE 56 Ca 0.14 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 3cys s ILE 56 Cb -0.06 -1.15 0.02 0.00 0.01 0.00 0.00 42.46 41.28 3cys s ILE 56 CO -0.18 0.39 -0.07 -0.63 0.00 0.00 0.00 174.94 174.44 3cys s ILE 57 N 0.81 0.95 -0.13 2.92 1.01 -1.09 -2.61 121.20 123.07 3cys s ILE 57 Ca -0.11 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 3cys s ILE 57 Cb -0.15 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 3cys s ILE 57 CO 0.02 0.35 1.26 -2.16 0.00 0.00 0.00 174.94 174.41 3cys s PRO 58 N 1.65 4.26 0.00 2.79 0.04 -1.26 -2.78 135.00 139.70 3cys s PRO 58 Ca 0.03 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3cys s PRO 58 Cb -0.13 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.70 3cys s PRO 58 CO -0.07 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.74 3cys n GLY 59 N 3.56 0.89 2.15 0.56 0.00 -1.26 -4.91 105.19 106.18 3cys n GLY 59 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.41 -3.88 -3.84 1.61 7.35 -1.17 -4.90 117.46 110.23 3cys n PHE 60 Ca 0.00 1.17 0.02 0.00 -0.76 0.00 0.00 57.45 57.87 3cys n PHE 60 Cb 0.38 2.76 0.01 0.00 0.35 0.00 0.00 39.48 42.98 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 -1.90 0.48 -0.07 -4.13 0.23 -1.12 -2.89 119.30 109.91 3cys s MET 61 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.36 3cys s MET 61 Cb 0.00 0.14 0.02 0.00 -1.53 0.00 0.00 34.83 33.47 3cys s MET 61 CO 0.00 -0.22 -0.05 0.00 -2.03 0.00 0.00 175.02 172.71 3cys s GLN 63 N 1.37 2.70 0.00 0.00 0.74 0.09 -2.63 119.66 121.92 3cys s GLN 63 Ca -0.03 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 54.71 3cys s GLN 63 Cb -0.14 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.36 3cys s GLN 63 CO -0.03 0.61 0.00 0.41 -0.55 0.00 0.00 175.29 175.73 3cys n GLY 64 N 1.28 5.38 0.00 2.59 0.00 -1.20 -3.59 105.19 109.65 3cys n GLY 64 Ca -0.14 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 2.30 2.44 2.89 -0.02 0.00 -1.26 -4.52 105.19 107.01 3cys n GLY 65 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.44 -0.29 1.61 1.11 -1.26 -4.65 116.67 113.63 3cys s ASP 66 Ca 0.00 0.01 -0.00 0.00 0.18 0.00 0.00 52.55 52.73 3cys s ASP 66 Cb 0.00 1.03 0.18 0.00 1.07 0.00 0.00 42.92 45.20 3cys s ASP 66 CO 0.00 -0.32 0.56 -0.36 1.18 0.00 0.00 175.17 176.23 3cys s PHE 67 N 2.52 -1.49 0.00 4.23 0.08 -1.26 -4.87 117.98 117.19 3cys s PHE 67 Ca 0.12 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.63 3cys s PHE 67 Cb -0.15 0.43 0.00 0.00 -0.57 0.00 0.00 43.02 42.73 3cys s PHE 67 CO -0.20 -0.88 0.00 -2.37 -0.10 0.00 0.00 175.22 171.67 3cys n THR 68 N 5.42 0.00 -2.14 0.64 5.66 -1.26 -3.53 114.28 119.06 3cys n THR 68 Ca -0.01 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.59 3cys n THR 68 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 3cys n THR 68 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 3cys n ARG 69 N 0.00 4.60 -2.10 1.09 3.00 -1.26 -4.88 116.66 117.11 3cys n ARG 69 Ca 0.00 -3.65 -0.40 0.00 -0.00 0.00 0.00 57.85 53.80 3cys n ARG 69 Cb 0.00 -2.64 -0.02 0.00 0.00 0.00 0.00 32.46 29.80 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 1.72 3.65 0.00 -0.14 8.25 -1.26 -3.16 115.22 124.28 3cys n HIS 70 Ca 0.57 -2.45 0.00 0.00 -0.26 0.00 0.00 57.72 55.58 3cys n HIS 70 Cb 0.26 -2.50 0.00 0.00 1.12 0.00 0.00 29.99 28.87 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 9.03 0.00 0.00 0.41 5.15 -1.26 -5.06 115.26 123.53 3cys n ASN 71 Ca 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 3cys n ASN 71 Cb 0.44 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.92 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 -1.23 -0.28 2.04 8.20 0.00 -1.19 -5.07 105.19 107.66 3cys n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.33 0.00 -4.38 2.61 -1.04 -1.25 -5.13 114.28 103.76 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 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 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 0.98 -0.58 0.00 3.41 0.00 -1.25 -4.03 105.19 103.72 3cys n GLY 74 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.74 3.80 -0.02 0.00 -1.23 -4.82 105.19 103.65 3cys n GLY 75 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -1.45 -2.40 1.61 4.76 -1.25 -4.53 118.16 114.90 3cys n LYS 76 Ca 0.00 0.95 -0.03 0.00 -2.87 0.00 0.00 58.31 56.36 3cys n LYS 76 Cb 0.00 -1.77 0.01 0.00 -1.84 0.00 0.00 35.03 31.44 3cys n LYS 76 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3cys n SER 77 N -3.80 -1.01 -1.02 4.39 3.41 -1.05 -2.81 113.62 111.74 3cys n SER 77 Ca 0.00 -1.65 0.11 0.00 -0.26 0.00 0.00 58.87 57.07 3cys n SER 77 Cb 0.33 1.67 0.18 0.00 -0.26 0.00 0.00 64.21 66.12 3cys n SER 77 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3cys n ILE 78 N -0.28 0.41 -1.03 -1.33 -5.35 -1.26 -3.92 119.36 106.60 3cys n ILE 78 Ca -0.03 -0.71 0.10 0.00 -0.27 0.00 0.00 62.75 61.84 3cys n ILE 78 Cb 0.28 1.05 0.14 0.00 -1.74 0.00 0.00 39.64 39.38 3cys n ILE 78 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3cys n TYR 79 N 1.31 0.05 0.00 4.28 4.01 -1.26 -4.94 117.16 120.61 3cys n TYR 79 Ca 0.17 -0.98 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 3cys n TYR 79 Cb 0.56 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 -1.36 0.63 4.95 2.72 0.00 -1.26 -4.60 105.19 106.27 3cys n GLY 80 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.97 1.61 1.02 -1.25 -4.81 120.64 113.24 3cys n GLU 81 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3cys n GLU 81 Cb 0.00 -0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 3cys n GLU 81 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3cys n LYS 82 N 0.00 0.76 -3.63 3.49 4.01 -1.26 -2.52 118.16 119.01 3cys n LYS 82 Ca 0.00 -3.32 -0.11 0.00 -0.51 0.00 0.00 58.31 54.37 3cys n LYS 82 Cb 0.00 0.54 -0.07 0.00 -0.51 0.00 0.00 35.03 34.99 3cys n LYS 82 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 3cys s PHE 83 N -2.62 -0.74 1.00 2.13 5.36 0.30 -4.28 117.98 119.12 3cys s PHE 83 Ca 0.19 1.73 -0.12 0.00 -0.96 0.00 0.00 56.93 57.77 3cys s PHE 83 Cb -0.02 0.35 0.19 0.00 -0.34 0.00 0.00 43.02 43.20 3cys s PHE 83 CO 0.12 -0.36 1.09 -1.21 -1.46 0.00 0.00 175.22 173.41 3cys s GLU 84 N 0.57 0.43 -0.02 10.12 2.02 -1.26 -3.27 118.70 127.28 3cys s GLU 84 Ca -0.01 0.53 -0.09 0.00 0.02 0.00 0.00 54.97 55.41 3cys s GLU 84 Cb -0.05 -1.74 -0.05 0.00 0.10 0.00 0.00 34.13 32.40 3cys s GLU 84 CO -0.04 -2.74 0.29 -0.51 0.02 0.00 0.00 175.26 172.28 3cys s ASP 85 N -3.45 6.57 -0.10 -0.19 1.01 -1.26 -4.95 116.67 114.31 3cys s ASP 85 Ca 0.65 0.68 -0.02 0.00 0.71 0.00 0.00 52.55 54.57 3cys s ASP 85 Cb -0.19 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 3cys s ASP 85 CO 0.58 0.31 -0.04 -0.08 0.21 0.00 0.00 175.17 176.14 3cys h GLU 86 N 4.45 0.00 0.00 8.23 4.22 -2.01 -3.51 114.58 125.97 3cys h GLU 86 Ca -0.52 0.00 0.21 0.00 0.08 0.00 0.00 59.36 59.13 3cys h GLU 86 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 3cys h GLU 86 CO 0.62 0.00 0.62 0.27 -2.18 0.00 0.00 179.01 178.35 3cys n ASN 87 N -4.39 -1.28 -2.53 1.04 0.23 -1.26 -5.05 115.26 102.02 3cys n ASN 87 Ca -0.02 -1.52 -0.11 0.00 -0.53 0.00 0.00 54.58 52.40 3cys n ASN 87 Cb 0.07 2.04 0.03 0.00 -2.08 0.00 0.00 39.78 39.84 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 -0.69 1.89 -0.29 -2.53 3.72 -1.26 -4.69 117.46 113.61 3cys n PHE 88 Ca 0.01 -2.33 -0.05 0.00 -0.05 0.00 0.00 57.45 55.03 3cys n PHE 88 Cb 0.50 -0.27 0.07 0.00 -0.94 0.00 0.00 39.48 38.83 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 3.96 1.23 -4.45 4.37 2.04 -1.97 -3.43 117.51 119.26 3cys h ILE 89 Ca 0.06 -0.53 -0.48 0.00 1.00 0.00 0.00 64.86 64.91 3cys h ILE 89 Cb 1.31 0.13 0.09 0.00 -0.74 0.00 0.00 36.82 37.62 3cys h ILE 89 CO 0.46 0.25 0.38 -0.76 0.00 0.00 0.00 178.15 178.48 3cys s LEU 90 N -9.99 2.70 0.43 1.44 1.02 -1.26 -5.09 118.68 107.94 3cys s LEU 90 Ca -0.13 0.87 0.04 0.00 0.02 0.00 0.00 54.13 54.93 3cys s LEU 90 Cb 0.15 -3.50 -0.02 0.00 0.02 0.00 0.00 46.19 42.85 3cys s LEU 90 CO 0.80 -1.64 0.14 -0.54 0.02 0.00 0.00 176.35 175.13 3cys s LYS 91 N -5.45 2.01 -0.95 1.70 1.02 -1.26 -4.78 119.74 112.04 3cys s LYS 91 Ca 0.60 -2.24 -0.12 0.00 0.02 0.00 0.00 55.97 54.22 3cys s LYS 91 Cb -0.11 -0.60 0.24 0.00 -0.52 0.00 0.00 37.83 36.84 3cys s LYS 91 CO 0.49 -0.53 0.92 -1.01 -0.92 0.00 0.00 175.35 174.30 3cys s HIS 92 N -3.16 3.95 0.40 3.18 3.76 -1.26 -4.88 115.29 117.27 3cys s HIS 92 Ca 0.21 -2.25 0.16 0.00 -0.15 0.00 0.00 55.06 53.02 3cys s HIS 92 Cb 0.01 -3.84 0.94 0.00 1.11 0.00 0.00 32.58 30.80 3cys s HIS 92 CO 0.14 -0.99 1.92 1.79 -0.85 0.00 0.00 174.74 176.75 3cys h THR 93 N 4.37 1.09 0.00 1.30 1.35 -1.95 -3.42 112.91 115.66 3cys h THR 93 Ca 0.14 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3cys h THR 93 Cb 0.97 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3cys h THR 93 CO 0.86 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 177.00 3cys n GLY 94 N -0.67 -0.22 3.80 5.82 0.00 -1.26 -4.90 105.19 107.76 3cys n GLY 94 Ca -0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.51 3.67 -0.05 1.61 0.04 -1.24 -3.93 135.00 133.59 3cys s PRO 95 Ca 0.00 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 3cys s PRO 95 Cb 0.00 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3cys s PRO 95 CO 0.00 -0.53 0.01 0.41 0.04 0.00 0.00 177.00 176.93 3cys n GLY 96 N -0.54 0.55 3.42 0.56 0.00 0.18 -4.88 105.19 104.47 3cys n GLY 96 Ca 0.09 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.38 3.19 -0.08 -0.61 -1.09 -1.14 -1.24 121.20 117.85 3cys s ILE 97 Ca 0.01 -0.63 -0.09 0.00 -2.23 0.00 0.00 60.65 57.71 3cys s ILE 97 Cb -0.00 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.51 3cys s ILE 97 CO 0.01 0.54 0.22 -0.22 -1.23 0.00 0.00 174.94 174.26 3cys s LEU 98 N 0.05 4.41 0.00 2.97 2.96 -0.42 -1.10 118.68 127.56 3cys s LEU 98 Ca -0.04 0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 54.37 3cys s LEU 98 Cb -0.14 -2.25 0.04 0.00 0.50 0.00 0.00 46.19 44.34 3cys s LEU 98 CO 0.04 0.38 0.59 -0.24 -1.32 0.00 0.00 176.35 175.80 3cys n SER 99 N 1.87 -1.72 -3.78 3.68 2.88 0.04 -3.64 113.62 112.95 3cys n SER 99 Ca -0.18 -2.32 -0.24 0.00 -1.33 0.00 0.00 58.87 54.81 3cys n SER 99 Cb 0.54 2.91 -0.17 0.00 -0.75 0.00 0.00 64.21 66.73 3cys n SER 99 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3cys s MET 100 N -2.16 0.71 0.68 -1.46 -1.94 0.11 0.43 119.30 115.67 3cys s MET 100 Ca 0.14 -0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.98 3cys s MET 100 Cb -0.03 -1.23 0.00 0.00 2.01 0.00 0.00 34.83 35.58 3cys s MET 100 CO 0.11 -0.36 1.07 0.00 -0.01 0.00 0.00 175.02 175.83 3cys s ALA 101 N 1.93 2.61 0.13 3.03 0.00 -1.26 -4.26 121.76 123.93 3cys s ALA 101 Ca 0.04 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 3cys s ALA 101 Cb -0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3cys s ALA 101 CO -0.06 -1.22 0.22 -0.80 0.00 0.00 0.00 175.76 173.90 3cys s ASN 102 N -3.37 0.11 -0.26 0.00 -0.87 -1.26 -4.45 114.94 104.84 3cys s ASN 102 Ca 0.61 -0.81 0.16 0.00 -1.57 0.00 0.00 52.86 51.25 3cys s ASN 102 Cb -0.16 0.38 0.48 0.00 -0.02 0.00 0.00 41.25 41.93 3cys s ASN 102 CO 0.49 -0.80 1.15 0.00 -2.57 0.00 0.00 177.10 175.37 3cys n ALA 103 N -0.13 3.58 0.00 0.60 0.00 -1.26 -5.01 120.51 118.29 3cys n ALA 103 Ca -0.11 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.17 3cys n ALA 103 Cb 0.63 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.84 3.69 0.00 0.00 -1.26 -4.90 105.19 102.95 3cys n GLY 104 Ca 0.22 -1.90 -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 -1.35 4.34 -1.27 1.61 0.04 -1.26 -3.01 135.00 134.09 3cys s PRO 105 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3cys s PRO 105 Cb 0.00 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3cys s PRO 105 CO 0.00 -0.47 0.00 0.09 0.04 0.00 0.00 177.00 176.66 3cys n ASN 106 N 5.29 -4.35 -0.28 6.66 3.02 -1.26 -4.78 115.26 119.56 3cys n ASN 106 Ca 0.11 0.17 0.09 0.00 -0.03 0.00 0.00 54.58 54.92 3cys n ASN 106 Cb 0.46 -3.70 -0.03 0.00 -0.61 0.00 0.00 39.78 35.89 3cys n ASN 106 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3cys n THR 107 N -3.36 0.00 -1.43 3.41 -1.04 -1.16 -3.85 114.28 106.84 3cys n THR 107 Ca -0.17 -0.24 -0.62 0.00 -2.04 0.00 0.00 64.05 60.98 3cys n THR 107 Cb 0.61 1.14 -0.11 0.00 -1.82 0.00 0.00 70.33 70.16 3cys n THR 107 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3cys n ASN 108 N -0.52 1.01 0.00 8.00 4.13 -1.20 -4.44 115.26 122.23 3cys n ASN 108 Ca 0.06 0.85 0.00 0.00 1.68 0.00 0.00 54.58 57.17 3cys n ASN 108 Cb 0.35 -0.92 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 3cys n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cys n GLY 109 N 6.22 0.53 0.00 7.41 0.00 -1.26 -0.54 105.19 117.54 3cys n GLY 109 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.20 0.00 0.00 1.61 7.64 -1.12 -4.15 113.62 117.39 3cys n SER 110 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3cys n SER 110 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys n GLN 111 N 0.00 0.00 -3.64 1.43 10.64 -1.26 -4.43 117.38 120.12 3cys n GLN 111 Ca 0.00 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.10 3cys n GLN 111 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 3cys n GLN 111 CO 0.00 0.00 0.00 -0.59 -1.83 0.00 0.00 177.06 174.64 3cys s PHE 112 N 0.00 -0.27 -0.19 2.61 -0.71 -1.26 -4.87 117.98 113.28 3cys s PHE 112 Ca 0.00 0.01 -0.02 0.00 -1.04 0.00 0.00 56.93 55.88 3cys s PHE 112 Cb 0.00 0.60 0.06 0.00 -1.21 0.00 0.00 43.02 42.47 3cys s PHE 112 CO 0.00 -0.80 0.02 0.12 -1.34 0.00 0.00 175.22 173.22 3cys s PHE 113 N -3.39 1.26 -0.42 3.49 5.36 0.17 -3.22 117.98 121.22 3cys s PHE 113 Ca 0.08 -0.98 -0.18 0.00 -0.96 0.00 0.00 56.93 54.89 3cys s PHE 113 Cb -0.02 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.56 3cys s PHE 113 CO -0.03 -0.63 0.46 0.42 -1.46 0.00 0.00 175.22 173.99 3cys s ILE 114 N 1.78 5.06 -0.14 3.12 1.01 -1.08 -0.78 121.20 130.17 3cys s ILE 114 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 3cys s ILE 114 Cb -0.17 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3cys s ILE 114 CO -0.08 -0.43 0.70 0.00 0.00 0.00 0.00 174.94 175.14 3cys n THR 116 N 4.30 2.68 -3.92 0.00 -1.04 -1.14 0.48 114.28 115.64 3cys n THR 116 Ca -0.00 -2.39 -0.00 0.00 -2.04 0.00 0.00 64.05 59.61 3cys n THR 116 Cb 0.50 -0.35 0.01 0.00 -1.82 0.00 0.00 70.33 68.68 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 -3.19 -2.02 -0.24 2.41 0.00 -1.25 -4.54 121.76 112.94 3cys s ALA 117 Ca 0.48 -0.13 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 3cys s ALA 117 Cb 0.42 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 24.34 3cys s ALA 117 CO 0.04 -1.10 0.79 0.21 0.00 0.00 0.00 175.76 175.70 3cys s LYS 118 N -2.11 4.18 -0.42 0.00 2.20 -1.26 -3.66 119.74 118.66 3cys s LYS 118 Ca 0.25 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.75 3cys s LYS 118 Cb -0.01 -3.64 0.14 0.00 -1.51 0.00 0.00 37.83 32.81 3cys s LYS 118 CO 0.02 -0.48 0.24 0.95 -0.36 0.00 0.00 175.35 175.72 3cys s THR 119 N 2.72 1.08 -0.84 3.43 -4.23 -1.26 -4.95 115.64 111.59 3cys s THR 119 Ca 0.33 -2.39 0.27 0.00 -1.18 0.00 0.00 61.69 58.72 3cys s THR 119 Cb -0.15 -1.76 0.25 0.00 1.34 0.00 0.00 72.50 72.18 3cys s THR 119 CO 0.08 -0.94 1.81 -1.84 -0.54 0.00 0.00 174.62 173.20 3cys n GLU 120 N 3.60 0.15 -0.03 3.99 0.00 -1.26 -2.45 120.64 124.64 3cys n GLU 120 Ca 0.11 0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.51 3cys n GLU 120 Cb 0.36 -1.67 0.43 0.00 0.00 0.00 0.00 31.44 30.56 3cys n GLU 120 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.13 174.46 3cys n TRP 121 N -1.93 0.07 -1.49 -1.84 2.14 -1.26 -3.14 117.44 109.98 3cys n TRP 121 Ca 0.06 -0.04 0.07 0.00 2.07 0.00 0.00 57.50 59.66 3cys n TRP 121 Cb 0.39 0.00 0.13 0.00 -0.81 0.00 0.00 31.31 31.03 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 0.38 2.05 -0.07 5.67 4.77 -1.03 -4.82 117.00 123.96 3cys n LEU 122 Ca 0.18 -2.99 -0.10 0.00 -0.03 0.00 0.00 56.01 53.06 3cys n LEU 122 Cb 0.38 -0.37 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 3cys n LEU 122 CO 0.15 0.86 0.22 -0.78 -1.33 0.00 0.00 177.39 176.52 3cys h ASP 123 N 0.42 0.00 -2.35 -1.43 1.82 -1.58 -3.33 116.42 109.97 3cys h ASP 123 Ca -0.02 -0.67 -0.76 0.00 -0.39 0.00 0.00 57.03 55.19 3cys h ASP 123 Cb 1.13 0.00 -0.31 0.00 0.68 0.00 0.00 39.33 40.84 3cys h ASP 123 CO 0.01 0.87 0.62 0.61 -1.61 0.00 0.00 179.24 179.75 3cys n GLY 124 N 1.65 5.86 1.62 -0.78 0.00 -1.26 -4.30 105.19 107.98 3cys n GLY 124 Ca -0.08 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.30 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 0.13 0.00 0.00 1.61 3.00 -1.26 -4.95 118.16 116.69 3cys n LYS 125 Ca 0.40 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.85 3cys n LYS 125 Cb 0.30 0.00 0.51 0.00 0.00 0.00 0.00 35.03 35.84 3cys n LYS 125 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3cys n HIS 126 N -2.51 0.00 -1.35 5.64 8.25 -1.25 -4.90 115.22 119.10 3cys n HIS 126 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3cys n HIS 126 Cb 0.00 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.16 -4.64 -3.85 1.59 0.31 -1.26 0.05 118.33 110.38 3cys n VAL 127 Ca 0.17 2.02 -0.26 0.00 -0.01 0.00 0.00 64.34 66.27 3cys n VAL 127 Cb 0.34 -2.79 -0.17 0.00 -0.91 0.00 0.00 33.84 30.30 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 -2.99 0.78 -0.12 2.52 1.01 -1.26 -3.04 120.40 117.30 3cys s VAL 128 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 61.98 61.93 3cys s VAL 128 Cb 0.00 -0.89 0.30 0.00 0.00 0.00 0.00 36.38 35.79 3cys s VAL 128 CO 0.00 0.28 1.19 0.49 0.00 0.00 0.00 175.10 177.05 3cys n PHE 129 N 5.01 -0.22 -3.64 5.22 3.72 -1.24 -4.45 117.46 121.86 3cys n PHE 129 Ca -0.10 -1.07 0.00 0.00 -0.05 0.00 0.00 57.45 56.23 3cys n PHE 129 Cb 0.50 0.42 -0.01 0.00 -0.94 0.00 0.00 39.48 39.44 3cys n PHE 129 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3cys s GLY 130 N -1.82 -0.37 0.22 1.37 0.00 -1.24 -2.15 107.32 103.31 3cys s GLY 130 Ca 0.16 0.63 -0.17 0.00 0.00 0.00 0.00 44.72 45.34 3cys s GLY 130 CO -0.08 0.12 0.55 -1.59 0.00 0.00 0.00 173.10 172.10 3cys s LYS 131 N -2.60 1.47 0.36 2.90 -2.85 -0.74 -1.30 119.74 116.98 3cys s LYS 131 Ca 0.13 -0.94 -0.25 0.00 -1.00 0.00 0.00 55.97 53.91 3cys s LYS 131 Cb 0.03 0.53 -0.09 0.00 -2.06 0.00 0.00 37.83 36.24 3cys s LYS 131 CO -0.03 -0.63 1.02 0.08 0.10 0.00 0.00 175.35 175.89 3cys s VAL 132 N -3.90 3.88 0.00 1.79 1.01 -0.37 -0.22 120.40 122.59 3cys s VAL 132 Ca 0.12 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3cys s VAL 132 Cb -0.02 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3cys s VAL 132 CO 0.01 0.08 0.00 1.17 0.00 0.00 0.00 175.10 176.35 3cys n LYS 133 N 0.25 0.00 -2.81 2.72 3.00 -0.64 -4.78 118.16 115.89 3cys n LYS 133 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.24 3cys n LYS 133 Cb 0.49 -0.25 0.05 0.00 0.00 0.00 0.00 35.03 35.33 3cys n LYS 133 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3cys n GLU 134 N -0.27 1.09 -1.37 1.64 1.02 -1.26 -4.90 120.64 116.58 3cys n GLU 134 Ca 0.00 -2.67 0.03 0.00 -0.02 0.00 0.00 57.16 54.50 3cys n GLU 134 Cb 0.00 -1.01 0.01 0.00 -0.02 0.00 0.00 31.44 30.42 3cys n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cys n GLY 135 N -0.03 0.92 0.29 0.62 0.00 -1.25 -4.84 105.19 100.89 3cys n GLY 135 Ca 0.09 -0.70 0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 0.83 0.00 -0.83 1.61 2.86 -1.90 -1.72 114.93 115.77 3cys h MET 136 Ca -0.24 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 3cys h MET 136 Cb 1.81 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.43 3cys h MET 136 CO 0.06 0.06 0.41 -0.97 1.06 0.00 0.00 176.91 177.53 3cys h ASN 137 N 0.00 1.07 0.38 1.22 -0.73 -1.98 0.37 115.58 115.90 3cys h ASN 137 Ca -0.00 -0.12 -0.21 0.00 1.87 0.00 0.00 56.30 57.84 3cys h ASN 137 Cb 0.21 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.52 3cys h ASN 137 CO 0.01 0.89 -0.87 0.40 -0.37 0.00 0.00 177.43 177.49 3cys h ILE 138 N 1.18 1.42 -0.63 2.57 5.03 -1.70 0.79 117.51 126.16 3cys h ILE 138 Ca 0.29 -2.41 -0.08 0.00 -0.12 0.00 0.00 64.86 62.54 3cys h ILE 138 Cb 0.10 2.35 -0.03 0.00 -3.03 0.00 0.00 36.82 36.21 3cys h ILE 138 CO -0.04 0.72 0.08 0.58 -0.68 0.00 0.00 178.15 178.80 3cys h VAL 139 N 0.21 1.26 -0.02 1.67 2.07 -1.07 -1.83 116.25 118.54 3cys h VAL 139 Ca -0.06 -1.05 -0.18 0.00 0.82 0.00 0.00 66.70 66.24 3cys h VAL 139 Cb 1.49 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3cys h VAL 139 CO 0.15 0.39 -0.78 -0.08 0.02 0.00 0.00 177.57 177.27 3cys h GLU 140 N 0.98 0.18 0.84 1.57 4.57 -0.13 -2.89 114.58 119.70 3cys h GLU 140 Ca 0.19 -0.17 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 3cys h GLU 140 Cb 0.46 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3cys h GLU 140 CO 0.02 0.87 -0.40 0.00 -1.18 0.00 0.00 179.01 178.31 3cys h ALA 141 N 1.08 -1.13 0.00 2.92 0.00 -0.57 -2.96 119.26 118.60 3cys h ALA 141 Ca -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3cys h ALA 141 Cb 1.36 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 3cys h ALA 141 CO 0.12 -1.06 -0.02 0.00 0.00 0.00 0.00 179.25 178.29 3cys h MET 142 N -1.29 0.00 -0.74 0.00 -0.00 -1.42 0.92 114.93 112.40 3cys h MET 142 Ca -0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.54 3cys h MET 142 Cb 0.87 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.44 3cys h MET 142 CO 0.19 0.02 0.30 0.93 -0.00 0.00 0.00 176.91 178.35 3cys h GLU 143 N 0.00 1.09 0.00 -0.10 4.39 -1.35 -2.75 114.58 115.87 3cys h GLU 143 Ca -0.00 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.41 3cys h GLU 143 Cb 0.13 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3cys h GLU 143 CO 0.00 0.88 -0.49 0.00 -1.16 0.00 0.00 179.01 178.25 3cys h ARG 144 N 1.07 0.00 0.00 2.33 2.47 -0.69 -2.58 114.38 116.97 3cys h ARG 144 Ca 0.25 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 3cys h ARG 144 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3cys h ARG 144 CO -0.02 0.49 0.00 1.19 0.56 0.00 0.00 179.97 182.19 3cys n PHE 145 N -3.31 0.87 -0.68 3.04 3.72 -1.07 -4.74 117.46 115.28 3cys n PHE 145 Ca 0.01 0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.71 3cys n PHE 145 Cb 0.68 -0.98 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 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 0.63 0.46 3.59 1.37 0.00 -0.97 -4.47 105.19 105.79 3cys n GLY 146 Ca 0.04 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 3cys n GLY 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cys s SER 147 N -1.00 -0.41 0.12 1.61 1.04 -1.24 -4.73 113.70 109.08 3cys s SER 147 Ca 0.00 -0.29 0.25 0.00 0.48 0.00 0.00 55.95 56.39 3cys s SER 147 Cb 0.00 0.64 0.53 0.00 0.10 0.00 0.00 66.02 67.29 3cys s SER 147 CO 0.00 -1.12 1.48 -1.14 0.98 0.00 0.00 173.24 173.44 3cys n ARG 148 N -0.40 0.24 0.17 4.02 0.63 -1.26 -2.74 116.66 117.31 3cys n ARG 148 Ca -0.11 0.10 0.08 0.00 -0.92 0.00 0.00 57.85 57.00 3cys n ARG 148 Cb 0.62 -1.68 0.08 0.00 0.45 0.00 0.00 32.46 31.94 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 0.00 0.00 0.00 6.15 -1.07 -1.96 -3.46 115.58 115.24 3cys h ASN 149 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3cys h ASN 149 Cb 0.70 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.95 3cys h ASN 149 CO 0.00 0.23 0.00 0.61 0.07 0.00 0.00 177.43 178.34 3cys n GLY 150 N 1.17 -0.28 0.21 9.14 0.00 -1.23 -5.16 105.19 109.06 3cys n GLY 150 Ca 0.02 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3cys n GLY 150 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3cys n LYS 151 N 0.00 -0.47 -0.33 1.61 2.85 -1.07 -4.87 118.16 115.88 3cys n LYS 151 Ca 0.00 0.36 -0.11 0.00 -1.05 0.00 0.00 58.31 57.51 3cys n LYS 151 Cb 0.00 -0.56 0.10 0.00 -0.65 0.00 0.00 35.03 33.92 3cys n LYS 151 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3cys n THR 152 N -2.68 0.00 -2.75 0.58 5.66 -1.26 -3.73 114.28 110.10 3cys n THR 152 Ca -0.01 -0.14 -0.10 0.00 -3.05 0.00 0.00 64.05 60.75 3cys n THR 152 Cb 0.10 -0.93 0.06 0.00 -1.55 0.00 0.00 70.33 68.00 3cys n THR 152 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3cys n SER 153 N -3.77 -0.14 0.00 1.09 3.41 -1.26 -4.94 113.62 108.00 3cys n SER 153 Ca 0.06 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 3cys n SER 153 Cb 0.22 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.15 0.00 -2.72 4.33 4.01 -1.26 -5.10 118.16 117.27 3cys n LYS 154 Ca 0.07 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.80 3cys n LYS 154 Cb 0.80 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 35.37 3cys n LYS 154 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3cys n LYS 155 N 0.00 0.52 -2.47 1.97 2.85 -1.26 -5.06 118.16 114.70 3cys n LYS 155 Ca 0.00 -1.36 -0.42 0.00 -1.05 0.00 0.00 58.31 55.48 3cys n LYS 155 Cb 0.00 -0.99 -0.03 0.00 -0.65 0.00 0.00 35.03 33.36 3cys n LYS 155 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 3cys s ILE 156 N 0.52 4.19 0.11 0.58 2.07 -1.26 -2.13 121.20 125.28 3cys s ILE 156 Ca 0.30 1.57 -0.05 0.00 -1.41 0.00 0.00 60.65 61.06 3cys s ILE 156 Cb 0.20 -4.01 -0.02 0.00 0.13 0.00 0.00 42.46 38.77 3cys s ILE 156 CO -0.18 0.12 0.13 -0.89 -1.91 0.00 0.00 174.94 172.21 3cys s THR 157 N 1.10 0.13 -0.16 4.00 2.01 0.41 -3.75 115.64 119.38 3cys s THR 157 Ca 0.57 -1.54 -0.21 0.00 0.31 0.00 0.00 61.69 60.82 3cys s THR 157 Cb -0.28 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 3cys s THR 157 CO 0.29 -0.60 0.61 -0.63 -0.69 0.00 0.00 174.62 173.59 3cys s ILE 158 N -3.94 5.06 0.08 1.82 1.01 -1.26 -0.00 121.20 123.96 3cys s ILE 158 Ca 0.13 1.18 -0.21 0.00 0.00 0.00 0.00 60.65 61.74 3cys s ILE 158 Cb 0.06 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 3cys s ILE 158 CO -0.05 0.18 1.61 0.00 0.00 0.00 0.00 174.94 176.67 3cys h ALA 159 N 7.22 0.17 -1.95 9.38 0.00 -1.52 -3.44 119.26 129.12 3cys h ALA 159 Ca -0.35 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.64 3cys h ALA 159 Cb 1.16 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 3cys h ALA 159 CO 0.77 -0.24 0.63 0.16 0.00 0.00 0.00 179.25 180.56 3cys s ASP 160 N -5.53 -0.25 0.53 0.00 1.47 -1.26 -5.04 116.67 106.59 3cys s ASP 160 Ca -0.14 -0.03 -0.00 0.00 1.18 0.00 0.00 52.55 53.56 3cys s ASP 160 Cb 0.06 0.29 0.02 0.00 -0.34 0.00 0.00 42.92 42.96 3cys s ASP 160 CO 0.69 -0.48 0.77 0.00 0.68 0.00 0.00 175.17 176.83 3cys s GLY 162 N -4.35 -0.21 -0.06 0.00 0.00 0.82 -4.92 107.32 98.59 3cys s GLY 162 Ca 0.54 0.78 -0.00 0.00 0.00 0.00 0.00 44.72 46.05 3cys s GLY 162 CO 0.39 0.66 -0.02 1.62 0.00 0.00 0.00 173.10 175.75 3cys s GLN 163 N 0.02 0.76 -0.63 2.90 0.74 -1.26 -2.31 119.66 119.88 3cys s GLN 163 Ca -0.01 -0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.40 3cys s GLN 163 Cb -0.02 -0.95 0.16 0.00 1.10 0.00 0.00 33.01 33.29 3cys s GLN 163 CO 0.01 -0.20 0.42 -0.51 -0.55 0.00 0.00 175.29 174.45 3cys s LEU 164 N 1.48 4.82 0.00 3.68 1.43 0.97 -4.98 118.68 126.08 3cys s LEU 164 Ca -0.02 -3.21 0.30 0.00 -1.03 0.00 0.00 54.13 50.17 3cys s LEU 164 Cb -0.13 -1.73 1.57 0.00 0.03 0.00 0.00 46.19 45.92 3cys s LEU 164 CO -0.03 -0.24 2.04 -1.84 0.23 0.00 0.00 176.35 176.51