#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys n VAL 2 N 0.00 -7.87 -2.30 1.12 0.31 -1.26 -4.85 118.33 103.48 3cys n VAL 2 Ca 0.00 -0.21 -0.41 0.00 -0.01 0.00 0.00 64.34 63.71 3cys n VAL 2 Cb 0.00 -5.58 -0.03 0.00 -0.91 0.00 0.00 33.84 27.31 3cys n VAL 2 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3cys s ASN 3 N -3.02 7.00 0.84 4.52 0.01 -1.26 -5.01 114.94 118.02 3cys s ASN 3 Ca 0.02 2.37 -0.12 0.00 -0.71 0.00 0.00 52.86 54.42 3cys s ASN 3 Cb -0.01 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.13 3cys s ASN 3 CO 0.80 -0.41 1.11 -2.16 -1.51 0.00 0.00 177.10 174.93 3cys s PRO 4 N -0.61 1.73 0.06 -0.60 0.04 -1.26 -4.96 135.00 129.39 3cys s PRO 4 Ca 0.52 0.51 0.06 0.00 0.04 0.00 0.00 61.00 62.12 3cys s PRO 4 Cb -0.35 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 3cys s PRO 4 CO 0.40 -1.84 -0.16 0.99 0.04 0.00 0.00 177.00 176.44 3cys s THR 5 N -3.20 1.25 0.04 1.26 2.01 -1.25 -3.75 115.64 111.99 3cys s THR 5 Ca 0.62 -1.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.40 3cys s THR 5 Cb -0.15 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 3cys s THR 5 CO 0.54 -0.07 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 3cys s VAL 6 N -1.04 0.17 0.23 3.82 1.01 -1.04 -0.61 120.40 122.94 3cys s VAL 6 Ca 0.02 -1.36 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 3cys s VAL 6 Cb -0.09 -0.93 0.04 0.00 0.00 0.00 0.00 36.38 35.40 3cys s VAL 6 CO 0.02 -0.75 0.80 0.72 0.00 0.00 0.00 175.10 175.89 3cys s PHE 7 N -2.76 -0.17 0.08 5.22 -0.71 -1.26 -0.19 117.98 118.19 3cys s PHE 7 Ca -0.04 -0.23 -0.26 0.00 -1.04 0.00 0.00 56.93 55.36 3cys s PHE 7 Cb -0.00 0.68 0.07 0.00 -1.21 0.00 0.00 43.02 42.56 3cys s PHE 7 CO -0.06 -1.09 0.65 -0.59 -1.34 0.00 0.00 175.22 172.79 3cys s PHE 8 N -3.69 -0.56 -0.00 3.49 -0.12 -0.69 0.38 117.98 116.78 3cys s PHE 8 Ca 0.11 0.57 -0.02 0.00 -0.05 0.00 0.00 56.93 57.55 3cys s PHE 8 Cb -0.04 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 3cys s PHE 8 CO 0.05 -0.75 0.16 0.34 -0.05 0.00 0.00 175.22 174.97 3cys s ASP 9 N -2.22 6.18 -0.10 1.98 2.15 0.05 -2.04 116.67 122.67 3cys s ASP 9 Ca -0.03 0.28 -0.01 0.00 0.43 0.00 0.00 52.55 53.23 3cys s ASP 9 Cb -0.01 -1.89 -0.03 0.00 -0.30 0.00 0.00 42.92 40.69 3cys s ASP 9 CO -0.05 0.26 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.51 3cys s ILE 10 N -1.31 3.76 -0.17 4.11 1.09 -0.88 -1.67 121.20 126.13 3cys s ILE 10 Ca 0.27 -0.44 0.00 0.00 -1.10 0.00 0.00 60.65 59.38 3cys s ILE 10 Cb -0.12 -2.57 0.01 0.00 -1.06 0.00 0.00 42.46 38.71 3cys s ILE 10 CO 0.18 0.57 -0.17 0.00 -0.10 0.00 0.00 174.94 175.42 3cys s ALA 11 N -0.45 2.42 -0.77 9.38 0.00 0.31 -0.89 121.76 131.76 3cys s ALA 11 Ca 0.07 -1.15 -0.18 0.00 0.00 0.00 0.00 51.96 50.70 3cys s ALA 11 Cb -0.12 -1.23 0.14 0.00 0.00 0.00 0.00 23.12 21.91 3cys s ALA 11 CO 0.02 -0.23 0.88 0.08 0.00 0.00 0.00 175.76 176.51 3cys s VAL 12 N 1.12 4.96 -0.33 0.00 1.01 0.32 -0.89 120.40 126.59 3cys s VAL 12 Ca 0.01 -1.53 -0.18 0.00 0.00 0.00 0.00 61.98 60.28 3cys s VAL 12 Cb -0.14 -4.60 0.03 0.00 0.00 0.00 0.00 36.38 31.67 3cys s VAL 12 CO -0.07 -1.25 0.40 0.47 0.00 0.00 0.00 175.10 174.65 3cys n ASP 13 N 5.89 -6.93 -4.06 3.32 9.92 -1.12 -3.00 116.55 120.57 3cys n ASP 13 Ca 0.08 0.46 -0.32 0.00 -0.53 0.00 0.00 54.79 54.48 3cys n ASP 13 Cb 0.46 -3.47 -0.01 0.00 -0.64 0.00 0.00 41.12 37.46 3cys n ASP 13 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cys n GLY 14 N 0.22 -0.42 3.49 0.44 0.00 -1.26 -4.94 105.19 102.73 3cys n GLY 14 Ca 0.01 0.16 -0.06 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 -6.73 0.54 -0.25 1.61 2.12 -1.16 -5.13 118.70 109.69 3cys s GLU 15 Ca 0.57 1.16 -0.29 0.00 0.36 0.00 0.00 54.97 56.77 3cys s GLU 15 Cb -0.30 0.33 -0.01 0.00 0.26 0.00 0.00 34.13 34.41 3cys s GLU 15 CO 0.89 -0.18 1.32 -1.25 -0.54 0.00 0.00 175.26 175.49 3cys s PRO 16 N 2.08 4.00 -0.06 4.30 0.04 -1.26 0.12 135.00 144.22 3cys s PRO 16 Ca -0.07 1.41 -0.23 0.00 0.04 0.00 0.00 61.00 62.15 3cys s PRO 16 Cb -0.09 -3.86 -0.31 0.00 0.04 0.00 0.00 34.50 30.29 3cys s PRO 16 CO -0.17 -1.01 0.87 1.25 0.04 0.00 0.00 177.00 177.98 3cys h LEU 17 N 10.61 0.40 0.00 -3.56 5.85 -1.38 -3.47 115.31 123.75 3cys h LEU 17 Ca -0.27 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 57.49 3cys h LEU 17 Cb 1.10 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3cys h LEU 17 CO 1.01 1.34 0.00 0.61 -0.34 0.00 0.00 178.44 181.06 3cys n GLY 18 N 1.66 0.05 3.84 3.75 0.00 -1.24 -5.04 105.19 108.21 3cys n GLY 18 Ca -0.13 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 3.22 -0.10 1.61 3.00 -1.26 -2.08 118.95 121.34 3cys s ARG 19 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 55.73 55.29 3cys s ARG 19 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 34.95 32.02 3cys s ARG 19 CO 0.00 0.64 -0.13 0.08 0.00 0.00 0.00 175.30 175.89 3cys s VAL 20 N -1.31 1.29 0.33 3.52 1.01 -0.87 -4.72 120.40 119.66 3cys s VAL 20 Ca 0.27 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.82 3cys s VAL 20 Cb -0.12 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3cys s VAL 20 CO 0.19 0.40 0.04 -0.94 0.00 0.00 0.00 175.10 174.79 3cys s SER 21 N 1.09 4.31 -0.08 3.32 1.04 -1.17 -1.70 113.70 120.50 3cys s SER 21 Ca -0.06 -0.92 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 3cys s SER 21 Cb -0.14 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.41 3cys s SER 21 CO -0.02 -0.23 0.26 -0.36 0.98 0.00 0.00 173.24 173.87 3cys s PHE 22 N -2.49 -0.25 -0.20 5.02 0.40 0.74 -4.28 117.98 116.92 3cys s PHE 22 Ca 0.35 0.60 -0.06 0.00 -0.60 0.00 0.00 56.93 57.22 3cys s PHE 22 Cb -0.01 0.09 -0.03 0.00 0.51 0.00 0.00 43.02 43.58 3cys s PHE 22 CO 0.20 -0.18 0.04 -1.21 0.70 0.00 0.00 175.22 174.77 3cys s GLU 23 N -0.13 3.77 0.05 0.44 2.02 -1.07 -2.48 118.70 121.28 3cys s GLU 23 Ca -0.03 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 3cys s GLU 23 Cb -0.03 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 3cys s GLU 23 CO 0.01 0.08 0.23 -0.51 0.02 0.00 0.00 175.26 175.08 3cys s LEU 24 N 0.87 4.35 -1.17 1.80 1.43 -1.25 -2.32 118.68 122.40 3cys s LEU 24 Ca 0.03 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 3cys s LEU 24 Cb -0.14 -2.89 0.23 0.00 0.03 0.00 0.00 46.19 43.42 3cys s LEU 24 CO 0.02 0.19 2.02 0.49 0.23 0.00 0.00 176.35 179.30 3cys n PHE 25 N 0.51 2.66 0.30 0.29 3.72 0.14 -4.68 117.46 120.40 3cys n PHE 25 Ca -0.07 -2.68 0.17 0.00 -0.05 0.00 0.00 57.45 54.82 3cys n PHE 25 Cb 0.52 -1.52 0.96 0.00 -0.94 0.00 0.00 39.48 38.49 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 4.61 1.28 -0.95 4.37 0.00 -1.83 0.47 119.26 127.21 3cys h ALA 26 Ca 0.56 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.49 3cys h ALA 26 Cb 0.37 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3cys h ALA 26 CO 1.35 0.03 0.62 0.22 0.00 0.00 0.00 179.25 181.48 3cys h ASP 27 N 0.00 1.01 0.28 0.00 3.58 -1.89 0.20 116.42 119.59 3cys h ASP 27 Ca -0.00 -0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.11 3cys h ASP 27 Cb 0.11 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 3cys h ASP 27 CO 0.00 0.67 -1.91 0.29 -2.88 0.00 0.00 179.24 175.42 3cys n LYS 28 N -4.46 0.69 -3.26 0.28 4.01 -0.01 -4.58 118.16 110.83 3cys n LYS 28 Ca 0.13 0.26 -0.25 0.00 -0.51 0.00 0.00 58.31 57.94 3cys n LYS 28 Cb 0.13 -1.73 -0.08 0.00 -0.51 0.00 0.00 35.03 32.85 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 -3.24 -0.15 -1.07 -0.18 0.24 -0.22 -5.00 118.33 108.71 3cys n VAL 29 Ca -0.26 -4.19 -0.32 0.00 -2.04 0.00 0.00 64.34 57.53 3cys n VAL 29 Cb 1.05 -1.96 -0.02 0.00 -1.47 0.00 0.00 33.84 31.43 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 1.44 2.64 0.09 7.34 -0.04 0.67 -3.15 135.00 143.99 3cys n PRO 30 Ca 0.23 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 3cys n PRO 30 Cb 0.50 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3cys n PRO 30 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3cys n LYS 31 N 4.47 0.00 0.06 0.54 4.76 -1.26 -4.93 118.16 121.79 3cys n LYS 31 Ca 0.57 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 56.14 3cys n LYS 31 Cb 0.22 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 33.64 3cys n LYS 31 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3cys n THR 32 N -2.85 0.33 -0.01 -0.18 -1.04 -1.19 -3.06 114.28 106.29 3cys n THR 32 Ca 0.00 -0.23 -0.07 0.00 -2.04 0.00 0.00 64.05 61.71 3cys n THR 32 Cb 0.00 -0.16 0.12 0.00 -1.82 0.00 0.00 70.33 68.47 3cys n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys h ALA 33 N 2.59 0.89 -0.60 2.41 0.00 -1.91 -3.08 119.26 119.56 3cys h ALA 33 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3cys h ALA 33 Cb 0.71 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3cys h ALA 33 CO 0.00 0.63 0.11 1.49 0.00 0.00 0.00 179.25 181.48 3cys h GLU 34 N 0.46 0.97 -0.51 0.00 4.81 -1.83 -0.90 114.58 117.57 3cys h GLU 34 Ca 0.05 -0.23 0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3cys h GLU 34 Cb 0.86 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 30.03 3cys h GLU 34 CO 0.07 0.88 0.05 -0.97 -0.73 0.00 0.00 179.01 178.32 3cys h ASN 35 N 0.91 -0.11 -0.46 1.04 -0.73 -1.62 0.13 115.58 114.74 3cys h ASN 35 Ca 0.19 0.11 -0.05 0.00 1.87 0.00 0.00 56.30 58.41 3cys h ASN 35 Cb 0.38 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.12 3cys h ASN 35 CO 0.01 -0.03 0.08 0.15 -0.37 0.00 0.00 177.43 177.27 3cys h PHE 36 N 0.18 0.81 -0.92 0.67 3.04 -1.44 -2.46 116.94 116.81 3cys h PHE 36 Ca 0.26 -0.11 0.07 0.00 3.98 0.00 0.00 57.97 62.17 3cys h PHE 36 Cb 0.38 -0.22 -0.07 0.00 2.56 0.00 0.00 35.95 38.60 3cys h PHE 36 CO -0.27 0.76 0.58 -0.09 -2.02 0.00 0.00 178.31 177.26 3cys h ARG 37 N 0.63 1.02 0.00 1.11 1.12 0.19 -1.36 114.38 117.09 3cys h ARG 37 Ca 0.14 -0.06 -0.10 0.00 -1.11 0.00 0.00 59.98 58.85 3cys h ARG 37 Cb 0.38 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 3cys h ARG 37 CO 0.01 0.67 -0.49 0.00 -3.11 0.00 0.00 179.97 177.05 3cys h ALA 38 N 1.43 0.81 0.00 2.80 0.00 -0.67 -3.04 119.26 120.61 3cys h ALA 38 Ca 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cys h ALA 38 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3cys h ALA 38 CO -0.18 0.61 0.00 1.28 0.00 0.00 0.00 179.25 180.96 3cys n LEU 39 N -3.41 0.64 0.00 0.00 7.99 -0.53 -0.55 117.00 121.13 3cys n LEU 39 Ca 0.01 0.58 0.00 0.00 -0.01 0.00 0.00 56.01 56.59 3cys n LEU 39 Cb 0.64 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.54 3cys n LEU 39 CO 0.39 -0.24 0.14 -0.24 -1.51 0.00 0.00 177.39 175.93 3cys n SER 40 N -2.12 0.00 -0.19 -1.43 2.88 -1.10 -1.42 113.62 110.24 3cys n SER 40 Ca 0.05 0.64 0.29 0.00 -1.33 0.00 0.00 58.87 58.52 3cys n SER 40 Cb 0.37 -0.50 0.73 0.00 -0.75 0.00 0.00 64.21 64.05 3cys n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cys h THR 41 N 0.00 0.52 -4.53 2.46 1.03 -1.66 -3.40 112.91 107.34 3cys h THR 41 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 3cys h THR 41 Cb 0.00 0.53 0.09 0.00 -1.07 0.00 0.00 68.15 67.70 3cys h THR 41 CO 0.00 0.00 -0.55 0.61 -0.01 0.00 0.00 175.52 175.57 3cys n GLY 42 N -1.71 -0.33 0.00 2.99 0.00 0.29 -4.96 105.19 101.47 3cys n GLY 42 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3cys n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 43 N -3.96 0.24 -0.98 1.61 4.07 -1.21 -3.98 120.64 116.43 3cys n GLU 43 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3cys n GLU 43 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 3cys n GLU 43 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3cys n LYS 44 N -0.92 -1.00 -1.16 5.31 5.02 -1.26 -2.86 118.16 121.29 3cys n LYS 44 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3cys n LYS 44 Cb 0.00 -4.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.96 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cys n GLY 45 N -0.92 1.07 0.00 0.72 0.00 -1.26 -5.00 105.19 99.79 3cys n GLY 45 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.41 0.00 -3.00 1.61 1.16 -1.14 -4.86 117.46 108.82 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 0.28 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.15 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 -0.01 -0.48 0.45 4.97 0.00 -1.26 -3.32 105.19 105.54 3cys n GLY 47 Ca 0.00 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 9.00 0.00 -1.39 1.61 4.02 -0.51 -2.34 117.16 127.55 3cys n TYR 48 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3cys n TYR 48 Cb 0.00 -0.05 -0.07 0.00 -0.02 0.00 0.00 39.34 39.20 3cys n TYR 48 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3cys n LYS 49 N -0.02 3.19 0.00 -0.72 0.00 -1.26 -3.84 118.16 115.52 3cys n LYS 49 Ca 0.14 -2.14 0.03 0.00 0.00 0.00 0.00 58.31 56.35 3cys n LYS 49 Cb 0.40 -2.43 0.03 0.00 0.00 0.00 0.00 35.03 33.03 3cys n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cys n GLY 50 N 2.46 -0.79 3.55 3.14 0.00 -1.26 -5.04 105.19 107.25 3cys n GLY 50 Ca 0.60 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 3cys n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cys n SER 51 N 0.33 -5.65 -3.59 1.61 3.41 -1.25 -4.94 113.62 103.54 3cys n SER 51 Ca 0.04 -0.54 -0.08 0.00 -0.26 0.00 0.00 58.87 58.03 3cys n SER 51 Cb 0.16 -2.46 -0.05 0.00 -0.26 0.00 0.00 64.21 61.61 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cys s PHE 53 N -1.25 1.69 -0.03 0.00 0.40 -1.20 -3.74 117.98 113.84 3cys s PHE 53 Ca 0.02 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 3cys s PHE 53 Cb -0.01 -0.93 -0.00 0.00 0.51 0.00 0.00 43.02 42.59 3cys s PHE 53 CO -0.02 0.18 0.05 0.45 0.70 0.00 0.00 175.22 176.59 3cys h HIS 54 N 4.10 -0.02 -2.09 0.36 3.86 -1.92 -3.48 115.15 115.96 3cys h HIS 54 Ca -0.45 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.84 3cys h HIS 54 Cb 1.18 0.01 -0.18 0.00 1.06 0.00 0.00 27.41 29.48 3cys h HIS 54 CO 0.62 -0.01 0.47 -0.98 0.86 0.00 0.00 177.93 178.89 3cys s ARG 55 N -1.32 0.80 -0.12 2.45 1.70 -1.26 -4.86 118.95 116.34 3cys s ARG 55 Ca -0.00 -0.14 -0.02 0.00 -0.47 0.00 0.00 55.73 55.10 3cys s ARG 55 Cb 0.00 0.37 0.04 0.00 -0.57 0.00 0.00 34.95 34.79 3cys s ARG 55 CO 0.01 -0.32 0.03 0.42 -1.08 0.00 0.00 175.30 174.36 3cys s ILE 56 N -2.43 0.33 -0.19 4.99 1.01 -1.26 -4.45 121.20 119.21 3cys s ILE 56 Ca 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.51 3cys s ILE 56 Cb -0.01 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3cys s ILE 56 CO -0.05 0.06 0.06 -0.63 0.00 0.00 0.00 174.94 174.39 3cys s ILE 57 N 1.97 4.69 -0.42 2.92 1.01 -1.24 -1.60 121.20 128.54 3cys s ILE 57 Ca 0.03 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 3cys s ILE 57 Cb -0.14 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.21 3cys s ILE 57 CO -0.06 0.44 1.41 -2.16 0.00 0.00 0.00 174.94 174.57 3cys s PRO 58 N 0.58 3.57 0.00 2.79 0.04 -1.26 -3.39 135.00 137.33 3cys s PRO 58 Ca 0.03 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.00 3cys s PRO 58 Cb -0.13 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.38 3cys s PRO 58 CO 0.01 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.89 3cys n GLY 59 N 5.09 0.67 2.00 0.56 0.00 -1.26 -4.99 105.19 107.26 3cys n GLY 59 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.54 -2.16 -3.74 1.61 7.35 -1.22 -4.90 117.46 113.86 3cys n PHE 60 Ca 0.00 0.03 -0.09 0.00 -0.76 0.00 0.00 57.45 56.63 3cys n PHE 60 Cb 0.17 0.57 -0.03 0.00 0.35 0.00 0.00 39.48 40.54 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 -1.02 1.53 -0.20 -4.13 0.23 -1.24 -1.29 119.30 113.17 3cys s MET 61 Ca 0.00 -0.86 -0.12 0.00 -1.03 0.00 0.00 55.69 53.68 3cys s MET 61 Cb 0.00 0.56 0.06 0.00 -1.53 0.00 0.00 34.83 33.93 3cys s MET 61 CO 0.00 -0.67 0.50 0.00 -2.03 0.00 0.00 175.02 172.81 3cys n GLN 63 N 4.24 0.00 0.00 0.00 -0.06 -1.26 -0.62 117.38 119.68 3cys n GLN 63 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.78 3cys n GLN 63 Cb 0.56 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.74 3cys n GLN 63 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3cys n GLY 64 N 0.00 3.87 0.00 1.69 0.00 -1.26 -4.51 105.19 104.98 3cys n GLY 64 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.54 -0.57 7.00 -0.02 0.00 -1.25 -4.93 105.19 103.89 3cys n GLY 65 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 3cys n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cys n ASP 66 N 0.00 -2.43 0.00 1.61 -0.08 -0.99 -4.78 116.55 109.89 3cys n ASP 66 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3cys n ASP 66 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3cys n ASP 66 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3cys n PHE 67 N -0.33 0.00 -3.17 -0.67 3.72 -1.26 -4.76 117.46 110.98 3cys n PHE 67 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 3cys n PHE 67 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3cys n PHE 67 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3cys n THR 68 N 0.00 -2.52 0.00 4.37 5.66 -1.26 0.90 114.28 121.43 3cys n THR 68 Ca 0.00 0.33 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 3cys n THR 68 Cb 0.00 -3.02 0.00 0.00 -1.55 0.00 0.00 70.33 65.76 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 0.74 0.00 -3.58 1.09 3.00 -1.26 -4.41 116.66 112.23 3cys n ARG 69 Ca -0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.42 3cys n ARG 69 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.93 3cys n ARG 69 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3cys s HIS 70 N -1.38 3.52 -1.45 -0.14 0.09 -1.26 -4.72 115.29 109.95 3cys s HIS 70 Ca 0.00 -2.40 -0.11 0.00 -0.00 0.00 0.00 55.06 52.56 3cys s HIS 70 Cb 0.00 -3.43 0.01 0.00 -0.00 0.00 0.00 32.58 29.17 3cys s HIS 70 CO 0.00 -0.91 0.21 0.27 -0.00 0.00 0.00 174.74 174.31 3cys n ASN 71 N 3.80 -0.57 -0.69 1.40 0.23 -1.26 0.53 115.26 118.70 3cys n ASN 71 Ca 0.08 -1.29 -0.06 0.00 -0.53 0.00 0.00 54.58 52.78 3cys n ASN 71 Cb 0.41 -1.61 -0.01 0.00 -2.08 0.00 0.00 39.78 36.50 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 -2.44 0.26 2.31 4.83 0.00 -1.26 -4.89 105.19 104.00 3cys n GLY 72 Ca -0.26 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.76 0.56 0.00 2.61 -1.04 0.19 -4.57 114.28 108.27 3cys n THR 73 Ca -0.07 -1.74 0.00 0.00 -2.04 0.00 0.00 64.05 60.20 3cys n THR 73 Cb 0.49 1.08 0.00 0.00 -1.82 0.00 0.00 70.33 70.08 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 -0.52 -3.02 0.00 3.41 0.00 -1.21 -4.26 105.19 99.60 3cys n GLY 74 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.06 0.85 3.20 -0.02 0.00 0.26 -4.56 105.19 104.98 3cys n GLY 75 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3cys n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cys s LYS 76 N -1.04 0.92 0.43 1.61 3.01 -1.26 -4.88 119.74 118.53 3cys s LYS 76 Ca 0.00 -1.30 0.08 0.00 -1.01 0.00 0.00 55.97 53.73 3cys s LYS 76 Cb 0.00 -0.50 -0.01 0.00 -1.01 0.00 0.00 37.83 36.31 3cys s LYS 76 CO 0.00 0.06 0.40 -1.54 0.51 0.00 0.00 175.35 174.78 3cys s SER 77 N -2.83 5.04 0.00 2.83 1.04 0.11 -4.90 113.70 115.00 3cys s SER 77 Ca 0.11 -0.77 0.25 0.00 0.48 0.00 0.00 55.95 56.02 3cys s SER 77 Cb 0.01 -0.47 1.20 0.00 0.10 0.00 0.00 66.02 66.86 3cys s SER 77 CO -0.01 -0.72 1.84 2.30 0.98 0.00 0.00 173.24 177.64 3cys n ILE 78 N -1.60 0.22 -0.15 -1.02 -5.35 -1.26 -1.88 119.36 108.32 3cys n ILE 78 Ca 0.04 0.05 0.04 0.00 -0.27 0.00 0.00 62.75 62.61 3cys n ILE 78 Cb 0.62 -0.63 0.11 0.00 -1.74 0.00 0.00 39.64 38.00 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 -1.37 0.35 0.00 4.28 4.01 -1.26 -5.09 117.16 118.07 3cys n TYR 79 Ca 0.10 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 3cys n TYR 79 Cb 0.24 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 0.21 1.35 0.00 2.72 0.00 -0.78 -4.75 105.19 103.93 3cys n GLY 80 Ca 0.09 -2.26 0.11 0.00 0.00 0.00 0.00 46.02 43.96 3cys n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3cys n GLU 81 N -1.05 0.36 -4.16 1.61 0.28 -1.26 0.09 120.64 116.51 3cys n GLU 81 Ca 0.00 0.06 -0.12 0.00 -0.16 0.00 0.00 57.16 56.95 3cys n GLU 81 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 3cys n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3cys s LYS 82 N -2.52 1.32 -0.26 3.44 0.00 -1.26 -4.67 119.74 115.79 3cys s LYS 82 Ca 0.23 -1.57 -0.26 0.00 0.00 0.00 0.00 55.97 54.37 3cys s LYS 82 Cb 0.15 0.32 0.11 0.00 0.00 0.00 0.00 37.83 38.41 3cys s LYS 82 CO 0.34 -0.47 0.96 0.12 0.00 0.00 0.00 175.35 176.30 3cys s PHE 83 N -4.07 -0.53 1.19 1.78 5.36 -1.25 -4.78 117.98 115.67 3cys s PHE 83 Ca 0.35 1.27 -0.17 0.00 -0.96 0.00 0.00 56.93 57.43 3cys s PHE 83 Cb 0.05 0.35 0.28 0.00 -0.34 0.00 0.00 43.02 43.36 3cys s PHE 83 CO 0.12 -0.28 1.05 -1.21 -1.46 0.00 0.00 175.22 173.44 3cys s GLU 84 N 0.10 -1.11 0.51 10.12 2.02 -1.26 -1.87 118.70 127.22 3cys s GLU 84 Ca 0.02 0.32 0.06 0.00 0.02 0.00 0.00 54.97 55.39 3cys s GLU 84 Cb -0.04 -1.58 0.09 0.00 0.10 0.00 0.00 34.13 32.70 3cys s GLU 84 CO -0.04 -3.72 0.70 -3.47 0.02 0.00 0.00 175.26 168.76 3cys n ASP 85 N -4.83 1.61 0.01 -0.19 -0.08 -1.26 -4.73 116.55 107.08 3cys n ASP 85 Ca 0.08 -2.20 -0.00 0.00 -1.51 0.00 0.00 54.79 51.15 3cys n ASP 85 Cb 0.58 -0.40 -0.00 0.00 2.34 0.00 0.00 41.12 43.64 3cys n ASP 85 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3cys n GLU 86 N -2.16 0.02 -3.41 -0.67 1.02 -1.26 -5.09 120.64 109.10 3cys n GLU 86 Ca 0.14 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.31 3cys n GLU 86 Cb 0.50 -0.24 0.01 0.00 -0.02 0.00 0.00 31.44 31.68 3cys n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3cys n ASN 87 N -2.86 -0.83 -2.66 1.62 0.23 -1.26 -5.05 115.26 104.45 3cys n ASN 87 Ca -0.01 -1.14 -0.08 0.00 -0.53 0.00 0.00 54.58 52.83 3cys n ASN 87 Cb 0.02 1.27 0.04 0.00 -2.08 0.00 0.00 39.78 39.03 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 -0.68 1.56 -0.20 -2.53 3.72 -1.26 -4.82 117.46 113.26 3cys n PHE 88 Ca 0.04 -2.43 -0.01 0.00 -0.05 0.00 0.00 57.45 54.99 3cys n PHE 88 Cb 0.42 -0.28 0.21 0.00 -0.94 0.00 0.00 39.48 38.88 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 4.14 1.21 -4.08 4.37 2.04 -1.96 -3.43 117.51 119.81 3cys h ILE 89 Ca -0.03 -0.54 -0.49 0.00 1.00 0.00 0.00 64.86 64.79 3cys h ILE 89 Cb 1.25 0.28 0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3cys h ILE 89 CO 0.40 0.24 0.30 -0.76 0.00 0.00 0.00 178.15 178.33 3cys s LEU 90 N -9.68 3.21 0.00 1.44 1.02 -1.26 -5.09 118.68 108.32 3cys s LEU 90 Ca -0.11 1.08 0.05 0.00 0.02 0.00 0.00 54.13 55.17 3cys s LEU 90 Cb 0.17 -3.98 -0.02 0.00 0.02 0.00 0.00 46.19 42.37 3cys s LEU 90 CO 0.79 -0.99 0.20 2.29 0.02 0.00 0.00 176.35 178.66 3cys n LYS 91 N -2.69 0.44 -3.51 1.70 2.85 -1.26 -4.84 118.16 110.84 3cys n LYS 91 Ca 0.05 -2.83 -0.42 0.00 -1.05 0.00 0.00 58.31 54.06 3cys n LYS 91 Cb 0.56 2.05 -0.08 0.00 -0.65 0.00 0.00 35.03 36.91 3cys n LYS 91 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3cys s HIS 92 N -3.03 3.42 -0.23 5.58 3.76 -1.26 -4.90 115.29 118.62 3cys s HIS 92 Ca 0.28 -1.84 0.23 0.00 -0.15 0.00 0.00 55.06 53.58 3cys s HIS 92 Cb 0.01 -3.55 0.53 0.00 1.11 0.00 0.00 32.58 30.68 3cys s HIS 92 CO 0.20 -0.99 1.67 1.79 -0.85 0.00 0.00 174.74 176.55 3cys h THR 93 N 5.98 0.23 0.00 1.30 1.35 -1.98 -3.46 112.91 116.34 3cys h THR 93 Ca -0.20 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 3cys h THR 93 Cb 1.07 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3cys h THR 93 CO 0.88 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 3cys n GLY 94 N 0.83 -0.00 3.80 5.82 0.00 -1.26 -4.89 105.19 109.49 3cys n GLY 94 Ca 0.03 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.27 3.77 0.00 1.61 0.04 -1.25 -3.77 135.00 134.13 3cys s PRO 95 Ca 0.00 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.38 3cys s PRO 95 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3cys s PRO 95 CO 0.00 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3cys n GLY 96 N -0.33 0.63 3.63 0.56 0.00 0.82 -4.90 105.19 105.59 3cys n GLY 96 Ca 0.09 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 5.30 -0.40 -0.61 -1.09 -1.15 -1.13 121.20 120.12 3cys s ILE 97 Ca 0.00 0.16 -0.19 0.00 -2.23 0.00 0.00 60.65 58.39 3cys s ILE 97 Cb 0.00 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.40 3cys s ILE 97 CO 0.00 0.31 0.55 -0.22 -1.23 0.00 0.00 174.94 174.35 3cys s LEU 98 N 1.33 4.53 0.13 2.97 2.96 -0.82 -0.62 118.68 129.15 3cys s LEU 98 Ca 0.07 -0.30 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 3cys s LEU 98 Cb -0.14 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 3cys s LEU 98 CO 0.07 -0.62 -0.19 -0.94 -1.32 0.00 0.00 176.35 173.34 3cys s SER 99 N 1.87 2.56 0.80 3.68 1.04 -0.79 -2.92 113.70 119.94 3cys s SER 99 Ca 0.19 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 3cys s SER 99 Cb -0.15 -0.14 0.10 0.00 0.10 0.00 0.00 66.02 65.93 3cys s SER 99 CO 0.16 0.01 1.15 -0.04 0.98 0.00 0.00 173.24 175.49 3cys s MET 100 N -2.32 1.71 0.05 4.02 -1.94 -0.12 -0.55 119.30 120.15 3cys s MET 100 Ca 0.10 -0.21 0.07 0.00 -1.71 0.00 0.00 55.69 53.94 3cys s MET 100 Cb -0.08 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 3cys s MET 100 CO 0.05 -1.66 -0.21 0.00 -0.01 0.00 0.00 175.02 173.19 3cys s ALA 101 N -3.51 1.77 0.06 3.03 0.00 -0.56 -4.45 121.76 118.10 3cys s ALA 101 Ca 0.64 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 3cys s ALA 101 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3cys s ALA 101 CO 0.48 0.40 0.09 0.54 0.00 0.00 0.00 175.76 177.27 3cys s ASN 102 N -1.21 0.26 -0.10 0.00 4.22 -1.26 -4.35 114.94 112.50 3cys s ASN 102 Ca 0.07 -0.74 0.14 0.00 -2.14 0.00 0.00 52.86 50.20 3cys s ASN 102 Cb -0.09 0.26 0.29 0.00 1.28 0.00 0.00 41.25 42.99 3cys s ASN 102 CO 0.02 -0.62 1.14 0.00 -2.04 0.00 0.00 177.10 175.60 3cys n ALA 103 N 0.23 2.61 0.00 3.54 0.00 -1.17 -5.08 120.51 120.63 3cys n ALA 103 Ca -0.16 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 50.85 3cys n ALA 103 Cb 0.61 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.73 -1.75 3.75 0.00 0.00 -1.26 -5.01 105.19 100.19 3cys n GLY 104 Ca 0.12 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.75 4.63 -1.48 1.61 0.04 -1.26 -2.94 135.00 133.84 3cys s PRO 105 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3cys s PRO 105 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3cys s PRO 105 CO 0.00 0.16 0.00 0.09 0.04 0.00 0.00 177.00 177.29 3cys n ASN 106 N 1.72 -4.92 -3.59 6.66 3.02 -1.26 -4.90 115.26 111.99 3cys n ASN 106 Ca 0.01 0.12 -0.27 0.00 -0.03 0.00 0.00 54.58 54.40 3cys n ASN 106 Cb 0.45 -4.16 -0.10 0.00 -0.61 0.00 0.00 39.78 35.36 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 -3.54 0.25 -3.76 3.41 -1.04 -1.15 -3.94 114.28 104.50 3cys n THR 107 Ca -0.20 -4.19 -0.36 0.00 -2.04 0.00 0.00 64.05 57.27 3cys n THR 107 Cb 0.64 -1.93 -0.11 0.00 -1.82 0.00 0.00 70.33 67.12 3cys n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3cys s ASN 108 N -0.84 5.14 0.00 8.00 0.01 -0.78 -3.06 114.94 123.40 3cys s ASN 108 Ca 0.30 -2.63 -0.01 0.00 -0.71 0.00 0.00 52.86 49.81 3cys s ASN 108 Cb 0.02 -1.82 -0.00 0.00 0.41 0.00 0.00 41.25 39.86 3cys s ASN 108 CO -0.17 -0.40 1.01 1.23 -1.51 0.00 0.00 177.10 177.26 3cys h GLY 109 N 7.26 -0.89 0.00 0.66 0.00 -1.83 -3.33 103.07 104.93 3cys h GLY 109 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3cys h GLY 109 CO 0.70 -0.34 0.00 1.44 0.00 0.00 0.00 176.54 178.34 3cys n SER 110 N -2.38 0.00 -4.62 0.19 7.64 -1.26 -4.25 113.62 108.94 3cys n SER 110 Ca -0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 3cys n SER 110 Cb 0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3cys n SER 110 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3cys n GLN 111 N 0.00 1.53 -1.69 1.43 -0.06 -1.26 -4.80 117.38 112.53 3cys n GLN 111 Ca 0.00 0.54 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 3cys n GLN 111 Cb 0.00 -2.05 0.00 0.00 -4.06 0.00 0.00 30.24 24.13 3cys n GLN 111 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 3cys n PHE 112 N 1.17 0.00 -3.46 3.69 -1.74 -1.26 -1.50 117.46 114.36 3cys n PHE 112 Ca 0.12 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.88 3cys n PHE 112 Cb 0.29 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.27 3cys n PHE 112 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3cys s PHE 113 N -0.76 -0.50 -0.06 2.97 0.40 0.29 -4.56 117.98 115.76 3cys s PHE 113 Ca 0.00 0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 56.50 3cys s PHE 113 Cb 0.00 0.50 -0.05 0.00 0.51 0.00 0.00 43.02 43.98 3cys s PHE 113 CO 0.00 -0.80 0.46 0.42 0.70 0.00 0.00 175.22 176.00 3cys s ILE 114 N -3.49 5.08 -0.32 0.64 1.01 0.21 -1.89 121.20 122.44 3cys s ILE 114 Ca -0.00 0.94 -0.16 0.00 0.00 0.00 0.00 60.65 61.43 3cys s ILE 114 Cb -0.01 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 3cys s ILE 114 CO -0.11 0.44 0.41 0.00 0.00 0.00 0.00 174.94 175.68 3cys n THR 116 N 5.25 2.76 -3.87 0.00 -1.04 -0.41 -0.13 114.28 116.85 3cys n THR 116 Ca -0.08 -1.52 -0.03 0.00 -2.04 0.00 0.00 64.05 60.38 3cys n THR 116 Cb 0.50 -0.29 0.01 0.00 -1.82 0.00 0.00 70.33 68.73 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 -2.84 -1.60 -1.02 2.41 0.00 -1.24 -4.61 121.76 112.86 3cys s ALA 117 Ca 0.54 -0.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.98 3cys s ALA 117 Cb 0.42 0.74 0.04 0.00 0.00 0.00 0.00 23.12 24.32 3cys s ALA 117 CO 0.15 -1.06 1.50 0.21 0.00 0.00 0.00 175.76 176.56 3cys s LYS 118 N -2.29 3.50 -1.26 0.00 2.20 -1.26 -3.84 119.74 116.79 3cys s LYS 118 Ca 0.21 -1.07 -0.16 0.00 -0.36 0.00 0.00 55.97 54.58 3cys s LYS 118 Cb -0.02 -5.34 0.11 0.00 -1.51 0.00 0.00 37.83 31.07 3cys s LYS 118 CO 0.05 -2.32 1.62 0.95 -0.36 0.00 0.00 175.35 175.29 3cys s THR 119 N 5.44 4.47 -0.59 3.43 -4.23 -1.26 -4.77 115.64 118.13 3cys s THR 119 Ca 0.48 -2.18 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 3cys s THR 119 Cb -0.01 -5.09 0.29 0.00 1.34 0.00 0.00 72.50 69.03 3cys s THR 119 CO -0.09 -1.87 1.75 -0.08 -0.54 0.00 0.00 174.62 173.80 3cys h GLU 120 N 7.43 0.00 -0.01 3.99 4.57 -1.91 -2.38 114.58 126.27 3cys h GLU 120 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 3cys h GLU 120 Cb 0.87 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 3cys h GLU 120 CO 1.38 0.00 -0.55 -2.67 -1.18 0.00 0.00 179.01 175.98 3cys n TRP 121 N -2.37 0.00 -0.02 0.92 2.14 -1.26 -3.53 117.44 113.31 3cys n TRP 121 Ca 0.04 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.67 3cys n TRP 121 Cb 0.37 -0.09 -0.15 0.00 -0.81 0.00 0.00 31.31 30.63 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 -0.92 0.10 -4.71 5.67 4.77 -0.92 -4.85 117.00 116.13 3cys n LEU 122 Ca 0.08 0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 3cys n LEU 122 Cb 0.37 0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3cys n LEU 122 CO 0.33 0.10 1.36 -0.62 -1.33 0.00 0.00 177.39 177.23 3cys s ASP 123 N -4.85 6.43 0.00 -1.43 -1.08 -1.07 -1.16 116.67 113.52 3cys s ASP 123 Ca -0.08 2.79 0.00 0.00 -0.52 0.00 0.00 52.55 54.74 3cys s ASP 123 Cb 0.12 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 3cys s ASP 123 CO 0.88 -0.95 0.00 0.61 0.52 0.00 0.00 175.17 176.23 3cys n GLY 124 N 3.98 2.45 0.31 2.66 0.00 -1.26 -4.82 105.19 108.50 3cys n GLY 124 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3cys n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cys n LYS 125 N -2.00 0.46 -3.17 1.61 5.02 -0.31 -5.00 118.16 114.77 3cys n LYS 125 Ca 0.00 0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 56.17 3cys n LYS 125 Cb 0.00 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cys s HIS 126 N -2.40 3.44 -0.20 2.13 3.76 -0.59 -4.95 115.29 116.49 3cys s HIS 126 Ca -0.30 0.95 -0.16 0.00 -0.15 0.00 0.00 55.06 55.40 3cys s HIS 126 Cb 0.11 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.42 3cys s HIS 126 CO 0.39 0.10 0.39 0.08 -0.85 0.00 0.00 174.74 174.85 3cys s VAL 127 N -2.07 5.21 -0.27 -0.90 1.01 -1.26 -4.85 120.40 117.26 3cys s VAL 127 Ca 0.49 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 63.04 3cys s VAL 127 Cb -0.11 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3cys s VAL 127 CO 0.25 0.26 0.27 -0.69 0.00 0.00 0.00 175.10 175.20 3cys s VAL 128 N 1.25 5.25 -0.01 2.92 1.01 -1.26 -0.94 120.40 128.62 3cys s VAL 128 Ca 0.19 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.55 3cys s VAL 128 Cb -0.15 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3cys s VAL 128 CO 0.08 0.22 0.79 2.22 0.00 0.00 0.00 175.10 178.41 3cys n PHE 129 N 5.06 0.00 0.00 5.22 -1.74 -1.15 -4.76 117.46 120.10 3cys n PHE 129 Ca -0.12 -0.15 0.00 0.00 -0.56 0.00 0.00 57.45 56.63 3cys n PHE 129 Cb 0.51 -0.04 0.00 0.00 1.52 0.00 0.00 39.48 41.48 3cys n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3cys n GLY 130 N -0.19 -0.26 3.14 4.97 0.00 -1.25 -0.68 105.19 110.93 3cys n GLY 130 Ca 0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 3cys n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cys s LYS 131 N -2.00 0.88 -0.65 1.61 1.02 -0.98 -1.95 119.74 117.66 3cys s LYS 131 Ca 0.00 -1.40 -0.21 0.00 0.02 0.00 0.00 55.97 54.37 3cys s LYS 131 Cb 0.00 0.21 0.08 0.00 -0.52 0.00 0.00 37.83 37.60 3cys s LYS 131 CO 0.00 -0.22 0.90 0.08 -0.92 0.00 0.00 175.35 175.19 3cys s VAL 132 N -4.00 4.48 0.01 3.17 1.01 -0.28 -2.61 120.40 122.17 3cys s VAL 132 Ca 0.21 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 3cys s VAL 132 Cb 0.07 -4.64 -0.16 0.00 0.00 0.00 0.00 36.38 31.66 3cys s VAL 132 CO -0.00 -1.37 1.23 0.50 0.00 0.00 0.00 175.10 175.45 3cys h LYS 133 N 9.43 -0.49 -3.42 2.72 3.11 -1.89 -3.46 116.57 122.58 3cys h LYS 133 Ca -0.27 0.03 -0.22 0.00 -2.81 0.00 0.00 60.65 57.39 3cys h LYS 133 Cb 1.07 0.11 -0.29 0.00 -1.00 0.00 0.00 32.23 32.13 3cys h LYS 133 CO 1.16 -0.18 -0.60 -2.00 -2.81 0.00 0.00 179.45 175.02 3cys s GLU 134 N -4.72 0.11 0.00 1.90 2.12 -1.26 -4.86 118.70 111.99 3cys s GLU 134 Ca -0.14 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.40 3cys s GLU 134 Cb 0.02 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.39 3cys s GLU 134 CO 0.53 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 3cys n GLY 135 N 3.39 1.04 0.44 -1.50 0.00 -1.26 -3.05 105.19 104.24 3cys n GLY 135 Ca -0.17 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.10 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 0.15 -0.69 1.61 2.86 -1.89 0.42 114.93 117.40 3cys h MET 136 Ca 0.00 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3cys h MET 136 Cb 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3cys h MET 136 CO 0.00 0.10 0.20 -0.97 1.06 0.00 0.00 176.91 177.30 3cys h ASN 137 N 0.16 1.02 -0.08 1.22 -1.24 -1.98 0.21 115.58 114.89 3cys h ASN 137 Ca 0.44 -0.22 -0.17 0.00 0.71 0.00 0.00 56.30 57.06 3cys h ASN 137 Cb 1.48 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 40.25 3cys h ASN 137 CO -0.08 0.97 -0.55 0.40 -1.29 0.00 0.00 177.43 176.88 3cys h ILE 138 N 1.02 1.31 -0.49 2.57 1.08 -0.61 -0.56 117.51 121.82 3cys h ILE 138 Ca 0.22 -1.78 -0.02 0.00 -0.39 0.00 0.00 64.86 62.89 3cys h ILE 138 Cb 0.32 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.78 3cys h ILE 138 CO -0.00 0.56 0.21 0.58 -0.69 0.00 0.00 178.15 178.81 3cys h VAL 139 N 0.51 1.20 -0.39 1.67 2.07 -0.63 0.66 116.25 121.34 3cys h VAL 139 Ca 0.01 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3cys h VAL 139 Cb 1.12 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3cys h VAL 139 CO 0.11 0.23 0.21 -0.08 0.02 0.00 0.00 177.57 178.06 3cys h GLU 140 N 0.65 0.54 -0.66 1.57 4.22 -0.42 0.17 114.58 120.65 3cys h GLU 140 Ca 0.17 -0.06 0.04 0.00 0.08 0.00 0.00 59.36 59.58 3cys h GLU 140 Cb 0.16 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3cys h GLU 140 CO -0.02 0.44 0.43 0.00 -2.18 0.00 0.00 179.01 177.69 3cys h ALA 141 N 1.07 1.66 -0.17 2.92 0.00 -0.77 0.78 119.26 124.74 3cys h ALA 141 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3cys h ALA 141 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3cys h ALA 141 CO -0.02 0.27 -0.15 1.98 0.00 0.00 0.00 179.25 181.32 3cys h MET 142 N 0.76 0.41 -0.15 0.00 4.05 -0.02 -3.15 114.93 116.82 3cys h MET 142 Ca 0.27 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 3cys h MET 142 Cb 0.10 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 3cys h MET 142 CO -0.08 0.76 -0.19 0.93 0.23 0.00 0.00 176.91 178.56 3cys h GLU 143 N 0.06 0.26 -0.18 0.39 5.08 0.01 -1.97 114.58 118.23 3cys h GLU 143 Ca 0.03 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3cys h GLU 143 Cb 0.68 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3cys h GLU 143 CO 0.04 0.45 0.16 0.00 -1.00 0.00 0.00 179.01 178.67 3cys h ARG 144 N 0.24 0.00 -0.50 2.33 2.47 -0.83 0.13 114.38 118.23 3cys h ARG 144 Ca 0.04 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.52 3cys h ARG 144 Cb 0.49 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.66 3cys h ARG 144 CO 0.03 0.00 0.09 1.19 0.56 0.00 0.00 179.97 181.84 3cys n PHE 145 N -4.09 1.54 -3.63 3.04 3.01 -0.75 -4.99 117.46 111.60 3cys n PHE 145 Ca 0.02 -1.63 -0.24 0.00 1.01 0.00 0.00 57.45 56.61 3cys n PHE 145 Cb 0.29 -0.59 0.02 0.00 -0.01 0.00 0.00 39.48 39.20 3cys n PHE 145 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cys n GLY 146 N -1.09 2.51 3.48 1.37 0.00 0.46 -0.12 105.19 111.79 3cys n GLY 146 Ca 0.39 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 3cys n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cys s SER 147 N -4.34 -0.45 0.00 1.61 0.01 -0.63 -4.77 113.70 105.14 3cys s SER 147 Ca 0.40 -0.02 0.29 0.00 1.31 0.00 0.00 55.95 57.92 3cys s SER 147 Cb -0.03 0.49 1.20 0.00 0.21 0.00 0.00 66.02 67.88 3cys s SER 147 CO 0.26 -0.80 1.84 -2.11 0.41 0.00 0.00 173.24 172.84 3cys n ARG 148 N -0.31 0.77 0.00 12.44 1.85 -1.26 -3.09 116.66 127.06 3cys n ARG 148 Ca -0.12 -0.29 0.15 0.00 -1.00 0.00 0.00 57.85 56.58 3cys n ARG 148 Cb 0.63 -1.49 0.75 0.00 -1.05 0.00 0.00 32.46 31.30 3cys n ARG 148 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3cys n ASN 149 N -0.86 0.09 -0.11 2.89 0.23 -1.26 -4.88 115.26 111.37 3cys n ASN 149 Ca 0.15 -0.32 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 3cys n ASN 149 Cb 0.28 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 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 1.25 0.76 3.11 4.83 0.00 -1.18 -5.07 105.19 108.89 3cys n GLY 150 Ca 0.15 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.59 0.68 -0.10 1.61 3.01 -1.26 -4.82 119.74 115.27 3cys s LYS 151 Ca 0.00 -0.80 -0.05 0.00 -1.01 0.00 0.00 55.97 54.11 3cys s LYS 151 Cb 0.00 -0.59 0.05 0.00 -1.01 0.00 0.00 37.83 36.28 3cys s LYS 151 CO 0.00 0.13 0.22 -0.08 0.51 0.00 0.00 175.35 176.13 3cys s THR 152 N -1.20 -0.05 -0.44 2.17 -1.32 -1.26 -2.49 115.64 111.05 3cys s THR 152 Ca -0.05 0.16 -0.11 0.00 -1.21 0.00 0.00 61.69 60.48 3cys s THR 152 Cb -0.09 -0.35 0.02 0.00 -1.51 0.00 0.00 72.50 70.56 3cys s THR 152 CO 0.01 0.07 0.25 -0.24 -2.21 0.00 0.00 174.62 172.50 3cys n SER 153 N 4.27 -1.60 0.00 8.08 2.88 0.82 -2.13 113.62 125.94 3cys n SER 153 Ca -0.25 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 3cys n SER 153 Cb 0.53 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 3cys n SER 153 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3cys n LYS 154 N -2.29 0.00 -3.15 -1.46 5.02 -1.26 -3.95 118.16 111.06 3cys n LYS 154 Ca -0.06 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.25 3cys n LYS 154 Cb 0.22 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.23 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cys s LYS 155 N 0.00 0.72 0.12 1.97 1.02 -0.90 -5.04 119.74 117.62 3cys s LYS 155 Ca 0.00 -0.18 -0.27 0.00 0.02 0.00 0.00 55.97 55.54 3cys s LYS 155 Cb 0.00 0.10 -0.07 0.00 -0.52 0.00 0.00 37.83 37.34 3cys s LYS 155 CO 0.00 -1.06 0.83 0.42 -0.92 0.00 0.00 175.35 174.62 3cys s ILE 156 N 1.94 4.50 0.06 2.17 1.01 -1.24 -2.80 121.20 126.84 3cys s ILE 156 Ca 0.16 1.79 0.02 0.00 0.00 0.00 0.00 60.65 62.61 3cys s ILE 156 Cb -0.04 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3cys s ILE 156 CO -0.09 0.42 -0.07 0.42 0.00 0.00 0.00 174.94 175.62 3cys s THR 157 N -0.50 0.54 -0.16 2.92 -4.23 -0.07 -3.26 115.64 110.88 3cys s THR 157 Ca 0.40 -1.44 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 3cys s THR 157 Cb -0.22 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.54 3cys s THR 157 CO 0.26 -0.62 1.54 -0.63 -0.54 0.00 0.00 174.62 174.64 3cys s ILE 158 N -2.41 3.80 -0.04 2.99 -1.09 -1.26 -0.53 121.20 122.66 3cys s ILE 158 Ca -0.01 0.93 -0.16 0.00 -2.23 0.00 0.00 60.65 59.18 3cys s ILE 158 Cb -0.03 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 37.04 3cys s ILE 158 CO -0.02 -0.20 0.68 0.00 -1.23 0.00 0.00 174.94 174.17 3cys h ALA 159 N 9.80 -0.44 -2.88 9.38 0.00 -1.63 -3.35 119.26 130.15 3cys h ALA 159 Ca -0.34 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3cys h ALA 159 Cb 1.15 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 3cys h ALA 159 CO 0.98 -0.44 0.07 -0.51 0.00 0.00 0.00 179.25 179.35 3cys s ASP 160 N -5.09 -0.39 0.28 0.00 1.01 -1.24 -4.99 116.67 106.24 3cys s ASP 160 Ca -0.09 -0.19 0.08 0.00 0.71 0.00 0.00 52.55 53.06 3cys s ASP 160 Cb 0.01 0.54 -0.04 0.00 1.01 0.00 0.00 42.92 44.44 3cys s ASP 160 CO 0.30 -0.93 0.12 0.00 0.21 0.00 0.00 175.17 174.87 3cys n GLY 162 N -1.09 0.31 1.56 0.00 0.00 0.16 -4.89 105.19 101.24 3cys n GLY 162 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 3cys n GLY 162 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3cys n GLN 163 N 0.00 -0.22 -3.13 1.61 7.27 -1.24 -4.53 117.38 117.13 3cys n GLN 163 Ca 0.00 0.65 -0.45 0.00 0.07 0.00 0.00 57.00 57.26 3cys n GLN 163 Cb 0.00 -1.23 -0.02 0.00 2.41 0.00 0.00 30.24 31.41 3cys n GLN 163 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3cys s LEU 164 N -0.06 5.87 0.00 1.69 1.43 0.22 -4.98 118.68 122.85 3cys s LEU 164 Ca -0.01 -2.54 0.00 0.00 -1.03 0.00 0.00 54.13 50.55 3cys s LEU 164 Cb 0.00 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.92 3cys s LEU 164 CO 0.04 -0.76 0.51 1.21 0.23 0.00 0.00 176.35 177.57