#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys h VAL 2 N 0.00 0.75 -3.25 1.12 -1.51 -2.06 -3.49 116.25 107.82 3cys h VAL 2 Ca 0.00 -0.82 0.24 0.00 -1.23 0.00 0.00 66.70 64.89 3cys h VAL 2 Cb 0.00 1.51 -0.13 0.00 -2.13 0.00 0.00 31.29 30.53 3cys h VAL 2 CO 0.00 0.20 -1.10 0.59 -1.23 0.00 0.00 177.57 176.03 3cys n ASN 3 N -3.73 -7.26 -4.81 4.19 3.02 -1.26 -4.90 115.26 100.52 3cys n ASN 3 Ca -0.01 1.43 -0.30 0.00 -0.03 0.00 0.00 54.58 55.66 3cys n ASN 3 Cb 0.31 -4.53 0.09 0.00 -0.61 0.00 0.00 39.78 35.04 3cys n ASN 3 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3cys s PRO 4 N -4.47 2.17 -0.13 3.52 0.04 -1.26 -4.92 135.00 129.94 3cys s PRO 4 Ca 0.00 0.67 -0.22 0.00 0.04 0.00 0.00 61.00 61.49 3cys s PRO 4 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.67 3cys s PRO 4 CO 0.00 -1.57 0.55 0.99 0.04 0.00 0.00 177.00 177.01 3cys s THR 5 N -3.14 0.01 0.27 1.26 2.01 -1.23 -2.85 115.64 111.96 3cys s THR 5 Ca 0.60 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.54 3cys s THR 5 Cb -0.14 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3cys s THR 5 CO 0.54 -0.05 0.13 0.68 -0.69 0.00 0.00 174.62 175.23 3cys s VAL 6 N -0.40 0.39 0.02 3.82 -7.23 -1.13 0.20 120.40 116.08 3cys s VAL 6 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 3cys s VAL 6 Cb -0.03 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 3cys s VAL 6 CO 0.04 0.00 -0.03 0.72 -0.31 0.00 0.00 175.10 175.52 3cys s PHE 7 N -3.76 0.27 -0.03 2.82 -0.12 -0.78 -1.43 117.98 114.97 3cys s PHE 7 Ca 0.37 -0.52 0.05 0.00 -0.05 0.00 0.00 56.93 56.78 3cys s PHE 7 Cb 0.07 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.25 3cys s PHE 7 CO 0.15 -0.18 -0.17 -0.06 -0.05 0.00 0.00 175.22 174.90 3cys s PHE 8 N -1.44 1.65 -0.22 3.49 0.40 0.61 -2.32 117.98 120.15 3cys s PHE 8 Ca -0.16 -0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 55.69 3cys s PHE 8 Cb -0.10 -1.09 -0.05 0.00 0.51 0.00 0.00 43.02 42.29 3cys s PHE 8 CO -0.01 -0.09 0.12 0.34 0.70 0.00 0.00 175.22 176.28 3cys s ASP 9 N -0.19 5.93 -0.15 1.36 -1.08 -0.35 -0.30 116.67 121.88 3cys s ASP 9 Ca 0.02 0.10 -0.04 0.00 -0.52 0.00 0.00 52.55 52.11 3cys s ASP 9 Cb -0.09 -2.05 -0.03 0.00 -1.46 0.00 0.00 42.92 39.29 3cys s ASP 9 CO 0.01 0.11 -0.02 -0.63 0.52 0.00 0.00 175.17 175.16 3cys s ILE 10 N 0.77 4.08 -0.11 4.11 -1.09 -0.97 -2.55 121.20 125.44 3cys s ILE 10 Ca 0.06 -0.30 -0.01 0.00 -2.23 0.00 0.00 60.65 58.18 3cys s ILE 10 Cb -0.13 -2.78 0.03 0.00 -1.58 0.00 0.00 42.46 37.99 3cys s ILE 10 CO 0.02 0.50 -0.07 0.00 -1.23 0.00 0.00 174.94 174.17 3cys s ALA 11 N 0.19 1.26 -0.59 9.38 0.00 -0.38 -1.87 121.76 129.74 3cys s ALA 11 Ca -0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 3cys s ALA 11 Cb -0.13 -0.89 0.13 0.00 0.00 0.00 0.00 23.12 22.22 3cys s ALA 11 CO 0.02 -0.42 0.60 0.08 0.00 0.00 0.00 175.76 176.04 3cys s VAL 12 N 1.74 5.11 -0.39 0.00 1.01 0.97 -0.53 120.40 128.31 3cys s VAL 12 Ca 0.05 -1.42 -0.21 0.00 0.00 0.00 0.00 61.98 60.41 3cys s VAL 12 Cb -0.12 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.88 3cys s VAL 12 CO -0.08 -0.98 0.50 0.47 0.00 0.00 0.00 175.10 175.01 3cys n ASP 13 N 5.52 -7.05 -4.23 3.32 8.00 -1.12 -2.93 116.55 118.06 3cys n ASP 13 Ca -0.10 0.41 -0.34 0.00 0.71 0.00 0.00 54.79 55.47 3cys n ASP 13 Cb 0.42 -3.85 -0.05 0.00 -0.02 0.00 0.00 41.12 37.62 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 -0.01 -0.34 2.93 0.44 0.00 -1.26 -4.91 105.19 102.04 3cys n GLY 14 Ca 0.03 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3cys n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cys s GLU 15 N -6.97 0.41 -0.28 1.61 2.56 -1.15 -5.12 118.70 109.77 3cys s GLU 15 Ca 0.47 0.25 -0.29 0.00 0.00 0.00 0.00 54.97 55.40 3cys s GLU 15 Cb -0.26 -0.29 -0.00 0.00 2.00 0.00 0.00 34.13 35.58 3cys s GLU 15 CO 0.95 -0.95 1.33 -1.25 -0.56 0.00 0.00 175.26 174.78 3cys s PRO 16 N 2.57 3.94 0.05 4.30 0.04 -1.26 -0.02 135.00 144.61 3cys s PRO 16 Ca 0.11 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 3cys s PRO 16 Cb -0.13 -3.88 -0.21 0.00 0.04 0.00 0.00 34.50 30.31 3cys s PRO 16 CO -0.27 -1.10 1.18 -0.07 0.04 0.00 0.00 177.00 176.79 3cys h LEU 17 N 10.84 0.72 0.00 -3.56 -0.00 -1.76 -3.49 115.31 118.06 3cys h LEU 17 Ca -0.27 -0.71 0.00 0.00 -0.00 0.00 0.00 57.88 56.90 3cys h LEU 17 Cb 1.10 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 3cys h LEU 17 CO 1.02 1.33 0.00 0.61 -0.00 0.00 0.00 178.44 181.40 3cys n GLY 18 N 0.94 -1.34 3.17 0.83 0.00 -1.25 -4.98 105.19 102.56 3cys n GLY 18 Ca -0.10 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 3cys n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cys s ARG 19 N -1.63 2.72 -0.14 1.61 0.52 -1.26 -2.28 118.95 118.49 3cys s ARG 19 Ca 0.00 -0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 54.34 3cys s ARG 19 Cb 0.00 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.32 3cys s ARG 19 CO 0.00 0.12 0.20 0.08 0.02 0.00 0.00 175.30 175.72 3cys s VAL 20 N 0.48 5.38 0.05 3.52 1.01 0.59 -4.62 120.40 126.80 3cys s VAL 20 Ca -0.17 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3cys s VAL 20 Cb -0.17 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3cys s VAL 20 CO 0.07 0.51 -0.04 -0.94 0.00 0.00 0.00 175.10 174.70 3cys s SER 21 N -0.32 4.77 -0.04 3.32 1.04 -0.97 -0.29 113.70 121.21 3cys s SER 21 Ca 0.14 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.41 3cys s SER 21 Cb -0.13 -1.10 0.01 0.00 0.10 0.00 0.00 66.02 64.90 3cys s SER 21 CO 0.03 0.23 -0.09 -0.36 0.98 0.00 0.00 173.24 174.03 3cys s PHE 22 N -1.15 1.03 -0.18 5.02 0.40 -0.51 -3.62 117.98 118.96 3cys s PHE 22 Ca 0.21 -0.30 -0.05 0.00 -0.60 0.00 0.00 56.93 56.19 3cys s PHE 22 Cb -0.11 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.62 3cys s PHE 22 CO 0.12 -0.16 -0.00 -1.83 0.70 0.00 0.00 175.22 174.05 3cys s GLU 23 N 0.47 3.70 0.17 0.44 -1.05 -1.24 -2.82 118.70 118.38 3cys s GLU 23 Ca -0.08 -0.49 0.02 0.00 -0.15 0.00 0.00 54.97 54.27 3cys s GLU 23 Cb -0.12 -3.04 -0.04 0.00 -0.44 0.00 0.00 34.13 30.50 3cys s GLU 23 CO 0.01 0.15 0.31 -0.51 0.95 0.00 0.00 175.26 176.18 3cys s LEU 24 N 0.63 4.31 -0.82 1.83 1.43 -1.13 -2.32 118.68 122.61 3cys s LEU 24 Ca -0.01 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3cys s LEU 24 Cb -0.14 -2.97 0.26 0.00 0.03 0.00 0.00 46.19 43.36 3cys s LEU 24 CO 0.02 0.02 0.95 0.49 0.23 0.00 0.00 176.35 178.06 3cys n PHE 25 N -0.63 3.38 0.29 0.29 3.72 -1.20 -4.58 117.46 118.73 3cys n PHE 25 Ca -0.07 -3.73 0.15 0.00 -0.05 0.00 0.00 57.45 53.76 3cys n PHE 25 Cb 0.54 -0.88 0.88 0.00 -0.94 0.00 0.00 39.48 39.08 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 4.98 1.32 -0.59 4.37 0.00 -1.89 0.14 119.26 127.60 3cys h ALA 26 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3cys h ALA 26 Cb 0.68 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3cys h ALA 26 CO 0.97 0.06 0.25 0.22 0.00 0.00 0.00 179.25 180.75 3cys h ASP 27 N 0.00 0.80 0.47 0.00 3.58 -1.99 -1.59 116.42 117.69 3cys h ASP 27 Ca -0.00 -0.16 -0.30 0.00 0.42 0.00 0.00 57.03 56.99 3cys h ASP 27 Cb 0.16 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.96 3cys h ASP 27 CO 0.01 0.74 -1.69 0.11 -2.88 0.00 0.00 179.24 175.53 3cys h LYS 28 N 0.81 0.07 -2.18 0.28 1.79 -1.61 -3.42 116.57 112.31 3cys h LYS 28 Ca 0.20 -0.12 -0.48 0.00 -2.18 0.00 0.00 60.65 58.07 3cys h LYS 28 Cb 0.18 0.04 -0.34 0.00 -1.58 0.00 0.00 32.23 30.53 3cys h LYS 28 CO -0.02 0.71 -0.81 0.14 -1.08 0.00 0.00 179.45 178.39 3cys s VAL 29 N -2.60 -0.05 0.76 0.50 -7.23 0.37 -4.87 120.40 107.27 3cys s VAL 29 Ca -0.08 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3cys s VAL 29 Cb 0.08 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 36.15 3cys s VAL 29 CO 0.82 -0.85 1.08 -2.16 -0.31 0.00 0.00 175.10 173.68 3cys s PRO 30 N 0.86 2.43 0.00 4.82 0.04 -0.60 -3.25 135.00 139.29 3cys s PRO 30 Ca 0.23 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3cys s PRO 30 Cb -0.10 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3cys s PRO 30 CO -0.07 -1.41 0.00 1.17 0.04 0.00 0.00 177.00 176.73 3cys n LYS 31 N -3.31 0.00 0.27 4.56 4.81 -1.26 -4.54 118.16 118.68 3cys n LYS 31 Ca 0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.35 3cys n LYS 31 Cb 0.55 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.52 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 0.28 -0.89 3.15 2.02 -1.93 0.24 112.91 115.77 3cys h THR 32 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 3cys h THR 32 Cb 0.00 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 66.62 3cys h THR 32 CO 0.00 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.47 3cys h ALA 33 N -0.37 1.98 -0.24 6.16 0.00 -1.79 -0.09 119.26 124.91 3cys h ALA 33 Ca -0.04 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3cys h ALA 33 Cb 0.68 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3cys h ALA 33 CO -0.01 -0.24 -0.08 1.49 0.00 0.00 0.00 179.25 180.41 3cys h GLU 34 N 0.57 0.48 -2.83 0.00 4.57 -1.71 -2.79 114.58 112.87 3cys h GLU 34 Ca 0.46 -0.19 -0.51 0.00 -1.18 0.00 0.00 59.36 57.93 3cys h GLU 34 Cb 0.91 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.48 3cys h GLU 34 CO -0.20 0.72 2.69 -1.71 -1.18 0.00 0.00 179.01 179.33 3cys n ASN 35 N -4.54 7.37 0.02 1.04 5.15 0.78 -2.12 115.26 122.97 3cys n ASN 35 Ca -0.04 -2.50 0.00 0.00 -0.60 0.00 0.00 54.58 51.44 3cys n ASN 35 Cb 0.32 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.12 3cys n ASN 35 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 3cys n PHE 36 N 3.40 -1.61 0.23 1.20 7.35 -1.22 -4.81 117.46 121.99 3cys n PHE 36 Ca 0.65 0.17 0.12 0.00 -0.76 0.00 0.00 57.45 57.63 3cys n PHE 36 Cb 0.37 0.65 0.45 0.00 0.35 0.00 0.00 39.48 41.30 3cys n PHE 36 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 3cys h ARG 37 N 0.00 0.00 0.00 -4.13 0.11 -1.48 -2.88 114.38 106.00 3cys h ARG 37 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3cys h ARG 37 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 3cys h ARG 37 CO 0.00 0.13 -0.05 0.00 0.10 0.00 0.00 179.97 180.16 3cys h ALA 38 N 1.87 1.08 0.00 0.08 0.00 -1.67 0.53 119.26 121.15 3cys h ALA 38 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cys h ALA 38 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3cys h ALA 38 CO 0.02 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.61 3cys n LEU 39 N -3.26 0.12 -0.00 0.00 4.77 -1.09 0.44 117.00 117.98 3cys n LEU 39 Ca -0.01 0.52 0.14 0.00 -0.03 0.00 0.00 56.01 56.63 3cys n LEU 39 Cb 0.23 -0.49 0.59 0.00 -2.33 0.00 0.00 43.42 41.42 3cys n LEU 39 CO 0.26 -0.15 0.90 -0.24 -1.33 0.00 0.00 177.39 176.83 3cys n SER 40 N -1.62 0.08 -2.53 -1.43 2.88 0.18 -3.87 113.62 107.31 3cys n SER 40 Ca 0.05 0.31 -0.01 0.00 -1.33 0.00 0.00 58.87 57.89 3cys n SER 40 Cb 0.27 -0.37 0.07 0.00 -0.75 0.00 0.00 64.21 63.43 3cys n SER 40 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3cys n THR 41 N -1.46 0.57 -2.11 2.46 5.66 0.06 -4.77 114.28 114.69 3cys n THR 41 Ca 0.08 -1.79 -0.41 0.00 -3.05 0.00 0.00 64.05 58.88 3cys n THR 41 Cb 0.33 1.10 -0.00 0.00 -1.55 0.00 0.00 70.33 70.21 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 -0.84 5.23 0.00 1.09 0.00 0.17 -4.57 105.19 106.27 3cys n GLY 42 Ca -0.06 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.88 3cys n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3cys n GLU 43 N 1.88 0.00 -0.12 1.61 0.00 -1.26 -0.39 120.64 122.36 3cys n GLU 43 Ca 0.57 0.39 0.09 0.00 0.00 0.00 0.00 57.16 58.21 3cys n GLU 43 Cb 0.27 -1.50 0.42 0.00 0.00 0.00 0.00 31.44 30.62 3cys n GLU 43 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3cys h LYS 44 N 0.00 0.57 0.00 3.44 6.56 -1.94 -3.43 116.57 121.77 3cys h LYS 44 Ca 0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 3cys h LYS 44 Cb 0.11 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 3cys h LYS 44 CO 0.00 0.38 0.00 0.41 -2.06 0.00 0.00 179.45 178.18 3cys n GLY 45 N -1.48 -1.47 3.88 3.86 0.00 -0.73 -5.15 105.19 104.10 3cys n GLY 45 Ca 0.10 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.00 0.10 0.00 1.61 -0.12 0.48 -5.09 117.98 112.96 3cys s PHE 46 Ca 0.00 -0.56 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 3cys s PHE 46 Cb 0.00 0.74 0.00 0.00 -0.63 0.00 0.00 43.02 43.13 3cys s PHE 46 CO 0.00 -1.07 0.00 0.41 -0.05 0.00 0.00 175.22 174.51 3cys n GLY 47 N -0.69 2.44 1.02 1.99 0.00 -1.26 -3.96 105.19 104.73 3cys n GLY 47 Ca -0.04 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.81 3cys n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3cys n TYR 48 N 0.00 0.00 -1.35 1.61 0.18 -1.25 -4.92 117.16 111.43 3cys n TYR 48 Ca 0.00 -0.26 -0.24 0.00 1.88 0.00 0.00 57.90 59.27 3cys n TYR 48 Cb 0.00 -0.10 -0.09 0.00 -0.38 0.00 0.00 39.34 38.77 3cys n TYR 48 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 3cys n LYS 49 N 0.26 2.67 -3.54 -3.48 3.00 -1.26 -4.66 118.16 111.14 3cys n LYS 49 Ca 0.03 -1.97 -0.39 0.00 -0.00 0.00 0.00 58.31 55.98 3cys n LYS 49 Cb 0.93 -2.22 -0.04 0.00 0.00 0.00 0.00 35.03 33.70 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 1.87 4.17 0.00 3.14 0.00 -1.26 -5.00 105.19 108.11 3cys n GLY 50 Ca 0.52 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3cys n GLY 50 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 51 N 2.39 0.00 -4.69 1.61 7.64 -1.26 -3.84 113.62 115.46 3cys n SER 51 Ca 0.23 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 3cys n SER 51 Cb 0.38 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys s PHE 53 N 2.41 -0.23 -0.21 0.00 5.36 -1.20 -4.97 117.98 119.15 3cys s PHE 53 Ca 0.66 -0.05 -0.00 0.00 -0.96 0.00 0.00 56.93 56.57 3cys s PHE 53 Cb -0.33 0.62 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 3cys s PHE 53 CO 0.28 -0.84 0.00 0.72 -1.46 0.00 0.00 175.22 173.92 3cys n HIS 54 N -0.41 -2.71 -1.56 10.12 8.25 -1.25 -4.80 115.22 122.86 3cys n HIS 54 Ca -0.07 1.21 -0.43 0.00 -0.26 0.00 0.00 57.72 58.16 3cys n HIS 54 Cb 0.61 -3.20 -0.04 0.00 1.12 0.00 0.00 29.99 28.48 3cys n HIS 54 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3cys n ARG 55 N 0.49 1.57 -3.66 -0.41 0.00 0.37 -4.69 116.66 110.33 3cys n ARG 55 Ca -0.00 0.37 -0.36 0.00 -0.00 0.00 0.00 57.85 57.86 3cys n ARG 55 Cb 0.01 -3.08 -0.07 0.00 0.00 0.00 0.00 32.46 29.31 3cys n ARG 55 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3cys s ILE 56 N 8.86 5.35 -0.18 5.15 1.01 -1.26 -1.38 121.20 138.74 3cys s ILE 56 Ca 1.03 0.41 0.00 0.00 0.00 0.00 0.00 60.65 62.09 3cys s ILE 56 Cb -0.43 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.53 3cys s ILE 56 CO 0.37 0.47 -0.09 -0.63 0.00 0.00 0.00 174.94 175.06 3cys s ILE 57 N -0.05 1.43 -0.32 2.92 1.01 -0.31 -3.80 121.20 122.07 3cys s ILE 57 Ca 0.15 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 3cys s ILE 57 Cb -0.13 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3cys s ILE 57 CO 0.03 0.17 1.36 -2.16 0.00 0.00 0.00 174.94 174.35 3cys s PRO 58 N 1.50 3.82 0.00 2.79 0.04 -1.26 -1.94 135.00 139.94 3cys s PRO 58 Ca -0.00 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.25 3cys s PRO 58 Cb -0.16 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.45 3cys s PRO 58 CO -0.08 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.12 3cys n GLY 59 N 4.54 0.83 1.51 0.56 0.00 -1.26 -4.95 105.19 106.42 3cys n GLY 59 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.70 -0.28 -1.13 1.61 7.35 -0.91 -4.71 117.46 118.67 3cys n PHE 60 Ca 0.00 0.05 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 3cys n PHE 60 Cb 0.00 0.26 0.00 0.00 0.35 0.00 0.00 39.48 40.09 3cys n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cys n MET 61 N -2.71 -2.26 -3.65 -4.13 0.00 -0.82 -0.57 117.12 102.98 3cys n MET 61 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 3cys n MET 61 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.05 3cys n MET 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3cys s GLN 63 N 2.22 3.30 -0.05 0.00 -0.44 -0.48 -4.15 119.66 120.06 3cys s GLN 63 Ca 0.04 -0.70 -0.03 0.00 -2.50 0.00 0.00 55.36 52.17 3cys s GLN 63 Cb -0.13 -2.72 0.02 0.00 -1.64 0.00 0.00 33.01 28.54 3cys s GLN 63 CO -0.05 0.01 0.11 0.20 0.50 0.00 0.00 175.29 176.06 3cys s GLY 64 N 0.87 -0.05 0.00 2.59 0.00 -1.25 0.14 107.32 109.61 3cys s GLY 64 Ca -0.03 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.09 3cys s GLY 64 CO -0.00 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.22 3cys n GLY 65 N 3.46 -0.95 2.86 0.20 0.00 -1.26 -4.20 105.19 105.30 3cys n GLY 65 Ca -0.18 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 3cys n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cys n ASP 66 N 0.71 -7.68 -3.15 1.61 9.92 -1.26 -4.68 116.55 112.01 3cys n ASP 66 Ca 0.00 1.05 0.05 0.00 -0.53 0.00 0.00 54.79 55.36 3cys n ASP 66 Cb 0.00 -4.55 -0.00 0.00 -0.64 0.00 0.00 41.12 35.93 3cys n ASP 66 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3cys s PHE 67 N -1.67 -0.93 -0.07 1.24 -0.71 -1.26 -0.80 117.98 113.78 3cys s PHE 67 Ca 0.06 0.55 0.03 0.00 -1.04 0.00 0.00 56.93 56.52 3cys s PHE 67 Cb -0.01 0.16 0.08 0.00 -1.21 0.00 0.00 43.02 42.04 3cys s PHE 67 CO 0.65 -0.54 0.67 -2.37 -1.34 0.00 0.00 175.22 172.30 3cys n THR 68 N 5.21 0.00 0.14 -4.49 5.66 -1.26 -4.12 114.28 115.42 3cys n THR 68 Ca 0.08 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 3cys n THR 68 Cb 0.56 0.45 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 3cys n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3cys n ARG 69 N -0.31 0.00 0.00 1.09 5.12 -1.26 -4.87 116.66 116.42 3cys n ARG 69 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3cys n ARG 69 Cb 0.55 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.85 3cys n ARG 69 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 3cys n HIS 70 N -3.30 0.00 0.12 -1.55 1.44 -1.26 -4.99 115.22 105.67 3cys n HIS 70 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 3cys n HIS 70 Cb 0.00 0.00 0.27 0.00 0.12 0.00 0.00 29.99 30.38 3cys n HIS 70 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3cys n ASN 71 N 0.00 3.34 -0.40 4.39 0.23 -1.26 -4.88 115.26 116.69 3cys n ASN 71 Ca 0.00 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 3cys n ASN 71 Cb 0.00 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.34 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 1.50 0.85 1.05 4.83 0.00 -1.26 -5.03 105.19 107.13 3cys n GLY 72 Ca 0.21 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.40 0.00 0.00 2.61 -1.04 0.02 -4.63 114.28 110.84 3cys n THR 73 Ca 0.00 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 3cys n THR 73 Cb 0.14 0.72 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 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 0.25 0.85 0.00 3.41 0.00 -0.95 -4.71 105.19 104.04 3cys n GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 4.52 0.96 0.77 -0.02 0.00 -1.26 -4.00 105.19 106.16 3cys n GLY 75 Ca 0.00 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.74 -1.03 1.61 5.02 -1.22 -4.47 118.16 116.33 3cys n LYS 76 Ca 0.00 1.38 0.00 0.00 -2.02 0.00 0.00 58.31 57.67 3cys n LYS 76 Cb 0.00 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 3cys n LYS 76 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3cys n SER 77 N -3.34 0.00 0.03 4.39 3.41 -1.26 -4.52 113.62 112.33 3cys n SER 77 Ca -0.04 -0.56 0.12 0.00 -0.26 0.00 0.00 58.87 58.14 3cys n SER 77 Cb 0.36 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.00 0.20 -0.52 -1.33 -5.35 -1.26 -3.73 119.36 107.36 3cys n ILE 78 Ca 0.00 -0.15 0.08 0.00 -0.27 0.00 0.00 62.75 62.41 3cys n ILE 78 Cb 0.00 -0.05 0.24 0.00 -1.74 0.00 0.00 39.64 38.09 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 -1.83 0.85 -0.53 4.28 4.01 -1.26 -4.99 117.16 117.68 3cys n TYR 79 Ca 0.05 -0.64 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 3cys n TYR 79 Cb 0.39 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.38 -0.99 4.48 2.72 0.00 -1.24 -4.65 105.19 105.89 3cys n GLY 80 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.02 0.00 -4.29 1.61 1.02 -1.26 -4.75 120.64 112.95 3cys n GLU 81 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 3cys n GLU 81 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 3cys n GLU 81 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cys s LYS 82 N 0.00 1.63 0.03 3.49 -0.14 -1.26 -3.45 119.74 120.04 3cys s LYS 82 Ca 0.00 -1.94 0.03 0.00 -1.36 0.00 0.00 55.97 52.71 3cys s LYS 82 Cb 0.00 0.20 -0.02 0.00 -1.68 0.00 0.00 37.83 36.34 3cys s LYS 82 CO 0.00 -0.56 -0.10 0.12 -0.76 0.00 0.00 175.35 174.05 3cys s PHE 83 N -3.60 0.89 1.27 3.18 5.36 0.31 -4.30 117.98 121.09 3cys s PHE 83 Ca 0.39 -0.32 -0.20 0.00 -0.96 0.00 0.00 56.93 55.84 3cys s PHE 83 Cb 0.04 -0.54 0.31 0.00 -0.34 0.00 0.00 43.02 42.49 3cys s PHE 83 CO 0.22 -0.01 1.06 -1.21 -1.46 0.00 0.00 175.22 173.82 3cys s GLU 84 N -0.94 -1.73 0.20 10.12 2.02 -1.26 -2.78 118.70 124.33 3cys s GLU 84 Ca -0.01 -0.01 0.11 0.00 0.02 0.00 0.00 54.97 55.08 3cys s GLU 84 Cb -0.07 -1.53 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 3cys s GLU 84 CO 0.01 -4.06 -0.20 0.16 0.02 0.00 0.00 175.26 171.19 3cys s ASP 85 N -3.67 3.67 0.00 -0.19 1.47 -1.26 -4.83 116.67 111.85 3cys s ASP 85 Ca 0.70 -0.81 0.00 0.00 1.18 0.00 0.00 52.55 53.62 3cys s ASP 85 Cb -0.11 -0.38 0.00 0.00 -0.34 0.00 0.00 42.92 42.09 3cys s ASP 85 CO 0.57 0.10 0.00 -0.62 0.68 0.00 0.00 175.17 175.90 3cys n GLU 86 N 0.08 0.00 -3.53 2.11 -0.58 -1.26 -4.97 120.64 112.50 3cys n GLU 86 Ca -0.11 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.53 3cys n GLU 86 Cb 0.56 -0.07 -0.02 0.00 -0.57 0.00 0.00 31.44 31.35 3cys n GLU 86 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3cys s ASN 87 N -1.26 -0.46 -0.52 1.62 4.22 -1.26 -5.06 114.94 112.22 3cys s ASN 87 Ca 0.00 -0.12 0.02 0.00 -2.14 0.00 0.00 52.86 50.62 3cys s ASN 87 Cb 0.00 0.57 0.43 0.00 1.28 0.00 0.00 41.25 43.54 3cys s ASN 87 CO 0.00 -0.96 1.58 0.49 -2.04 0.00 0.00 177.10 176.17 3cys n PHE 88 N -0.37 3.05 0.22 1.54 3.72 -1.26 -4.64 117.46 119.72 3cys n PHE 88 Ca -0.13 -2.65 0.06 0.00 -0.05 0.00 0.00 57.45 54.69 3cys n PHE 88 Cb 0.63 -0.79 0.51 0.00 -0.94 0.00 0.00 39.48 38.89 3cys n PHE 88 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3cys h ILE 89 N 1.83 1.01 -3.99 4.37 2.04 -1.93 -3.43 117.51 117.41 3cys h ILE 89 Ca 0.47 -0.84 -0.47 0.00 1.00 0.00 0.00 64.86 65.01 3cys h ILE 89 Cb 0.98 1.47 0.07 0.00 -0.74 0.00 0.00 36.82 38.60 3cys h ILE 89 CO 1.15 0.23 0.27 -0.76 0.00 0.00 0.00 178.15 179.04 3cys s LEU 90 N -8.07 2.96 0.00 1.44 2.01 -1.26 -5.10 118.68 110.66 3cys s LEU 90 Ca -0.03 0.75 0.05 0.00 0.01 0.00 0.00 54.13 54.91 3cys s LEU 90 Cb 0.14 -3.49 -0.02 0.00 0.01 0.00 0.00 46.19 42.84 3cys s LEU 90 CO 0.68 -1.37 0.16 0.29 1.01 0.00 0.00 176.35 177.12 3cys n LYS 91 N -2.86 0.46 -3.54 1.70 5.02 -1.26 -4.60 118.16 113.07 3cys n LYS 91 Ca 0.06 -2.49 -0.41 0.00 -2.02 0.00 0.00 58.31 53.45 3cys n LYS 91 Cb 0.59 1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 37.26 3cys n LYS 91 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cys s HIS 92 N -2.86 3.48 0.37 2.13 3.76 -1.26 -4.90 115.29 116.01 3cys s HIS 92 Ca 0.23 -2.05 0.11 0.00 -0.15 0.00 0.00 55.06 53.20 3cys s HIS 92 Cb 0.01 -3.50 0.73 0.00 1.11 0.00 0.00 32.58 30.93 3cys s HIS 92 CO 0.16 -0.96 1.85 1.79 -0.85 0.00 0.00 174.74 176.73 3cys h THR 93 N 5.74 1.24 0.00 1.30 1.35 -1.95 -3.44 112.91 117.14 3cys h THR 93 Ca -0.12 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3cys h THR 93 Cb 1.04 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3cys h THR 93 CO 0.82 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 177.02 3cys n GLY 94 N -0.59 -0.27 3.79 5.82 0.00 -1.26 -4.92 105.19 107.76 3cys n GLY 94 Ca -0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.07 4.01 -0.04 1.61 0.04 -1.22 -3.93 135.00 134.40 3cys s PRO 95 Ca 0.00 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.49 3cys s PRO 95 Cb 0.00 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.19 3cys s PRO 95 CO 0.00 -0.27 0.03 0.41 0.04 0.00 0.00 177.00 177.22 3cys n GLY 96 N 0.09 0.91 3.20 0.56 0.00 0.28 -4.88 105.19 105.35 3cys n GLY 96 Ca 0.07 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.01 2.24 -1.28 -0.61 -1.09 -0.92 -0.41 121.20 116.12 3cys s ILE 97 Ca 0.02 -0.92 -0.13 0.00 -2.23 0.00 0.00 60.65 57.39 3cys s ILE 97 Cb -0.01 -1.91 0.14 0.00 -1.58 0.00 0.00 42.46 39.10 3cys s ILE 97 CO 0.02 0.54 1.74 -0.11 -1.23 0.00 0.00 174.94 175.90 3cys n LEU 98 N 4.06 5.87 -4.88 2.97 7.94 -0.32 0.08 117.00 132.72 3cys n LEU 98 Ca -0.20 -4.39 -0.30 0.00 -1.11 0.00 0.00 56.01 50.01 3cys n LEU 98 Cb 0.52 -1.60 0.02 0.00 0.53 0.00 0.00 43.42 42.89 3cys n LEU 98 CO 0.27 0.90 0.71 -0.55 -1.11 0.00 0.00 177.39 177.61 3cys s SER 99 N 2.46 5.93 0.09 1.96 0.15 -1.26 -2.92 113.70 120.12 3cys s SER 99 Ca 0.44 1.26 0.06 0.00 0.70 0.00 0.00 55.95 58.41 3cys s SER 99 Cb 0.05 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 3cys s SER 99 CO 0.00 -1.02 -0.06 -0.32 1.20 0.00 0.00 173.24 173.04 3cys s MET 100 N -5.21 2.30 0.10 5.44 1.75 0.21 -0.19 119.30 123.69 3cys s MET 100 Ca 0.56 -0.94 0.03 0.00 -1.25 0.00 0.00 55.69 54.08 3cys s MET 100 Cb -0.11 -2.40 -0.04 0.00 2.84 0.00 0.00 34.83 35.12 3cys s MET 100 CO 0.52 0.52 0.12 0.00 -0.65 0.00 0.00 175.02 175.53 3cys s ALA 101 N -1.23 3.65 -0.28 4.11 0.00 -1.26 -4.31 121.76 122.44 3cys s ALA 101 Ca 0.23 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.94 3cys s ALA 101 Cb -0.11 -1.49 0.09 0.00 0.00 0.00 0.00 23.12 21.61 3cys s ALA 101 CO 0.15 0.71 0.81 0.54 0.00 0.00 0.00 175.76 177.97 3cys s ASN 102 N -2.57 -0.70 -0.60 0.00 4.22 -1.26 -4.47 114.94 109.55 3cys s ASN 102 Ca 0.31 1.27 -0.02 0.00 -2.14 0.00 0.00 52.86 52.27 3cys s ASN 102 Cb -0.12 1.29 0.28 0.00 1.28 0.00 0.00 41.25 43.98 3cys s ASN 102 CO 0.23 -0.21 2.22 0.00 -2.04 0.00 0.00 177.10 177.30 3cys n ALA 103 N 3.07 6.20 0.00 3.54 0.00 0.62 -4.95 120.51 128.98 3cys n ALA 103 Ca -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.08 3cys n ALA 103 Cb 0.56 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.10 0.71 3.72 0.00 0.00 -1.26 -4.84 105.19 103.41 3cys n GLY 104 Ca 0.50 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3cys n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 105 N -0.99 4.49 -1.33 1.61 0.04 -1.26 -2.93 135.00 134.63 3cys s PRO 105 Ca 0.00 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 3cys s PRO 105 Cb 0.00 -3.34 0.07 0.00 0.04 0.00 0.00 34.50 31.27 3cys s PRO 105 CO 0.00 -0.15 0.53 0.09 0.04 0.00 0.00 177.00 177.51 3cys n ASN 106 N 3.47 -3.93 -3.53 6.66 3.02 -1.26 -4.89 115.26 114.79 3cys n ASN 106 Ca 0.07 -0.42 -0.27 0.00 -0.03 0.00 0.00 54.58 53.93 3cys n ASN 106 Cb 0.47 -3.24 -0.10 0.00 -0.61 0.00 0.00 39.78 36.30 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 -4.02 0.95 -5.23 3.41 -1.04 -1.15 -4.48 114.28 102.71 3cys n THR 107 Ca -0.02 -4.57 -0.32 0.00 -2.04 0.00 0.00 64.05 57.10 3cys n THR 107 Cb 0.55 -2.02 -0.17 0.00 -1.82 0.00 0.00 70.33 66.86 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 -1.46 3.10 -0.34 8.00 -0.87 -1.12 -0.28 114.94 121.97 3cys s ASN 108 Ca 0.33 -0.54 0.09 0.00 -1.57 0.00 0.00 52.86 51.17 3cys s ASN 108 Cb 0.07 -1.23 0.70 0.00 -0.02 0.00 0.00 41.25 40.78 3cys s ASN 108 CO -0.12 0.19 1.78 0.61 -2.57 0.00 0.00 177.10 176.99 3cys n GLY 109 N 3.33 3.94 2.73 0.66 0.00 -1.26 -0.53 105.19 114.05 3cys n GLY 109 Ca -0.18 -1.04 -0.07 0.00 0.00 0.00 0.00 46.02 44.73 3cys n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cys n SER 110 N -0.43 -7.40 -3.16 1.61 2.88 -1.26 -4.36 113.62 101.50 3cys n SER 110 Ca 0.42 0.47 -0.13 0.00 -1.33 0.00 0.00 58.87 58.30 3cys n SER 110 Cb 1.38 -4.99 -0.03 0.00 -0.75 0.00 0.00 64.21 59.83 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cys s GLN 111 N -2.48 1.99 0.04 -1.46 -2.07 -1.26 -4.83 119.66 109.60 3cys s GLN 111 Ca 0.22 -1.69 -0.01 0.00 -1.82 0.00 0.00 55.36 52.05 3cys s GLN 111 Cb -0.06 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 3cys s GLN 111 CO 0.70 -0.85 -0.01 -0.59 -1.32 0.00 0.00 175.29 173.21 3cys s PHE 112 N -2.88 0.42 -0.14 9.60 -0.71 -1.26 -4.12 117.98 118.89 3cys s PHE 112 Ca 0.27 -0.88 0.14 0.00 -1.04 0.00 0.00 56.93 55.42 3cys s PHE 112 Cb -0.01 -0.31 -0.20 0.00 -1.21 0.00 0.00 43.02 41.29 3cys s PHE 112 CO 0.19 -0.34 0.08 0.34 -1.34 0.00 0.00 175.22 174.15 3cys n PHE 113 N 0.51 0.00 -3.24 3.49 7.35 0.73 -3.94 117.46 122.36 3cys n PHE 113 Ca -0.17 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.31 3cys n PHE 113 Cb 0.59 -0.72 0.02 0.00 0.35 0.00 0.00 39.48 39.73 3cys n PHE 113 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 3cys n ILE 114 N -2.52 -5.83 -1.91 -2.13 5.41 -1.24 -1.91 119.36 109.23 3cys n ILE 114 Ca -0.23 0.49 -0.42 0.00 1.00 0.00 0.00 62.75 63.59 3cys n ILE 114 Cb 0.94 -4.56 -0.03 0.00 -0.71 0.00 0.00 39.64 35.29 3cys n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cys n THR 116 N 5.41 2.57 -3.72 0.00 -1.04 0.26 0.98 114.28 118.74 3cys n THR 116 Ca 0.18 -2.34 -0.01 0.00 -2.04 0.00 0.00 64.05 59.84 3cys n THR 116 Cb 0.42 -0.32 0.01 0.00 -1.82 0.00 0.00 70.33 68.62 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys n ALA 117 N -0.89 -1.60 -2.50 2.41 0.00 -1.20 -4.60 120.51 112.13 3cys n ALA 117 Ca 0.33 -0.57 -0.40 0.00 0.00 0.00 0.00 53.44 52.80 3cys n ALA 117 Cb 1.09 0.30 -0.03 0.00 0.00 0.00 0.00 19.45 20.81 3cys n ALA 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3cys s LYS 118 N -2.03 3.32 -1.01 0.00 2.20 -1.26 -3.46 119.74 117.50 3cys s LYS 118 Ca 0.14 -0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 55.07 3cys s LYS 118 Cb -0.01 -4.81 0.27 0.00 -1.51 0.00 0.00 37.83 31.77 3cys s LYS 118 CO 0.03 -2.27 1.11 0.25 -0.36 0.00 0.00 175.35 174.11 3cys n THR 119 N 6.75 4.23 0.40 3.43 -2.24 -1.26 -4.82 114.28 120.77 3cys n THR 119 Ca 0.20 -5.47 0.11 0.00 -2.27 0.00 0.00 64.05 56.63 3cys n THR 119 Cb 0.50 -2.35 0.26 0.00 -2.10 0.00 0.00 70.33 66.65 3cys n THR 119 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3cys n GLU 120 N 2.03 2.34 -0.28 -0.78 0.28 -1.26 -3.40 120.64 119.57 3cys n GLU 120 Ca 0.25 -2.04 0.11 0.00 -0.16 0.00 0.00 57.16 55.31 3cys n GLU 120 Cb 0.37 -1.48 0.28 0.00 1.43 0.00 0.00 31.44 32.04 3cys n GLU 120 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 3cys n TRP 121 N 1.22 0.75 0.03 -1.84 2.14 -1.26 -3.69 117.44 114.78 3cys n TRP 121 Ca 0.19 -0.37 0.01 0.00 2.07 0.00 0.00 57.50 59.40 3cys n TRP 121 Cb 0.53 0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.04 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 1.46 1.60 -4.83 5.67 4.77 -1.22 -5.04 117.00 119.42 3cys n LEU 122 Ca 0.22 -1.45 -0.32 0.00 -0.03 0.00 0.00 56.01 54.42 3cys n LEU 122 Cb 0.58 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3cys n LEU 122 CO 0.16 0.39 0.69 -0.62 -1.33 0.00 0.00 177.39 176.68 3cys s ASP 123 N -0.53 6.39 -2.04 -1.43 -1.08 -1.24 -1.87 116.67 114.86 3cys s ASP 123 Ca 0.03 1.67 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 3cys s ASP 123 Cb 0.02 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 3cys s ASP 123 CO 0.02 -0.75 0.00 0.61 0.52 0.00 0.00 175.17 175.57 3cys n GLY 124 N -1.25 1.03 2.00 2.66 0.00 -1.26 -4.66 105.19 103.70 3cys n GLY 124 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.62 0.00 -3.89 1.61 4.76 -1.19 -5.02 118.16 111.81 3cys n LYS 125 Ca -0.22 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 54.98 3cys n LYS 125 Cb 0.68 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.85 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3cys s HIS 126 N -2.00 3.47 -0.04 2.13 3.76 -0.78 -4.97 115.29 116.85 3cys s HIS 126 Ca 0.00 0.08 -0.17 0.00 -0.15 0.00 0.00 55.06 54.82 3cys s HIS 126 Cb 0.00 -1.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 3cys s HIS 126 CO 0.00 0.43 0.46 0.08 -0.85 0.00 0.00 174.74 174.86 3cys s VAL 127 N -1.93 5.06 -0.06 -0.90 1.01 -1.26 -4.86 120.40 117.46 3cys s VAL 127 Ca 0.35 0.94 0.06 0.00 0.00 0.00 0.00 61.98 63.32 3cys s VAL 127 Cb -0.10 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 3cys s VAL 127 CO 0.29 0.47 -0.24 -0.69 0.00 0.00 0.00 175.10 174.93 3cys s VAL 128 N -0.33 2.11 0.00 2.92 1.01 -1.26 0.63 120.40 125.47 3cys s VAL 128 Ca 0.25 -1.04 0.15 0.00 0.00 0.00 0.00 61.98 61.34 3cys s VAL 128 Cb -0.16 -1.77 0.25 0.00 0.00 0.00 0.00 36.38 34.70 3cys s VAL 128 CO 0.13 0.57 1.09 2.22 0.00 0.00 0.00 175.10 179.11 3cys n PHE 129 N 2.99 0.00 -3.61 5.22 -1.74 -1.15 -4.71 117.46 114.46 3cys n PHE 129 Ca -0.18 -0.48 -0.04 0.00 -0.56 0.00 0.00 57.45 56.19 3cys n PHE 129 Cb 0.52 0.11 -0.02 0.00 1.52 0.00 0.00 39.48 41.61 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 -1.56 -0.28 -0.13 4.97 0.00 -1.24 -3.22 107.32 105.86 3cys s GLY 130 Ca 0.20 1.65 -0.05 0.00 0.00 0.00 0.00 44.72 46.51 3cys s GLY 130 CO -0.10 0.54 0.28 1.25 0.00 0.00 0.00 173.10 175.07 3cys s LYS 131 N -2.32 0.18 -0.01 2.90 2.20 -0.98 -1.17 119.74 120.54 3cys s LYS 131 Ca 0.10 0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 56.16 3cys s LYS 131 Cb -0.01 -0.01 -0.08 0.00 -1.51 0.00 0.00 37.83 36.22 3cys s LYS 131 CO -0.04 -0.26 2.01 0.08 -0.36 0.00 0.00 175.35 176.78 3cys s VAL 132 N 2.23 3.02 -0.16 4.02 1.01 0.45 -3.60 120.40 127.38 3cys s VAL 132 Ca -0.01 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 3cys s VAL 132 Cb -0.12 -3.02 -0.23 0.00 0.00 0.00 0.00 36.38 33.01 3cys s VAL 132 CO -0.09 -0.00 0.42 0.50 0.00 0.00 0.00 175.10 175.92 3cys h LYS 133 N 11.37 0.09 -3.95 2.72 3.64 -1.87 -3.47 116.57 125.10 3cys h LYS 133 Ca -0.48 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 58.58 3cys h LYS 133 Cb 1.24 0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.90 3cys h LYS 133 CO 0.94 1.07 -0.70 -1.21 -2.27 0.00 0.00 179.45 177.29 3cys s GLU 134 N -2.38 0.29 0.00 1.90 2.02 -1.26 -4.86 118.70 114.40 3cys s GLU 134 Ca -0.24 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.20 3cys s GLU 134 Cb 0.04 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.37 3cys s GLU 134 CO 0.67 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3cys n GLY 135 N 1.72 1.06 0.38 -1.39 0.00 -1.26 -2.30 105.19 103.39 3cys n GLY 135 Ca -0.23 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 1.87 0.48 0.00 1.61 2.86 -1.93 0.29 114.93 120.12 3cys h MET 136 Ca 0.00 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 3cys h MET 136 Cb 0.00 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3cys h MET 136 CO 0.00 0.32 -0.34 -2.95 1.06 0.00 0.00 176.91 175.00 3cys h ASN 137 N 0.50 0.00 0.33 1.22 -1.07 -1.98 0.22 115.58 114.80 3cys h ASN 137 Ca 0.39 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.51 3cys h ASN 137 Cb 0.81 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.08 3cys h ASN 137 CO -0.14 0.34 -1.10 0.40 0.07 0.00 0.00 177.43 177.00 3cys h ILE 138 N 0.00 1.39 -0.37 6.14 1.08 -0.91 -0.00 117.51 124.84 3cys h ILE 138 Ca -0.00 -2.58 -0.05 0.00 -0.39 0.00 0.00 64.86 61.84 3cys h ILE 138 Cb 0.63 2.61 -0.02 0.00 -3.07 0.00 0.00 36.82 36.97 3cys h ILE 138 CO 0.04 0.77 0.02 0.58 -0.69 0.00 0.00 178.15 178.88 3cys h VAL 139 N 0.22 1.20 -0.06 1.67 2.07 -0.34 -0.95 116.25 120.06 3cys h VAL 139 Ca -0.12 -0.77 -0.17 0.00 0.82 0.00 0.00 66.70 66.46 3cys h VAL 139 Cb 1.76 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3cys h VAL 139 CO 0.19 0.27 -0.69 -0.08 0.02 0.00 0.00 177.57 177.28 3cys h GLU 140 N 0.55 0.30 0.69 1.57 4.57 -0.46 -2.80 114.58 119.00 3cys h GLU 140 Ca 0.12 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 3cys h GLU 140 Cb 0.31 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3cys h GLU 140 CO 0.01 0.88 -0.33 0.00 -1.18 0.00 0.00 179.01 178.38 3cys h ALA 141 N 1.06 -0.93 0.00 2.92 0.00 -0.26 -2.63 119.26 119.42 3cys h ALA 141 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3cys h ALA 141 Cb 1.24 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 3cys h ALA 141 CO 0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 179.25 178.39 3cys h MET 142 N -1.11 0.00 -0.51 0.00 -0.00 -1.28 0.59 114.93 112.63 3cys h MET 142 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.51 3cys h MET 142 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.33 3cys h MET 142 CO 0.16 0.04 -0.05 0.93 -0.00 0.00 0.00 176.91 177.99 3cys h GLU 143 N 0.00 0.94 -0.36 -0.10 5.08 -1.32 -3.05 114.58 115.77 3cys h GLU 143 Ca -0.00 -0.32 0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3cys h GLU 143 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3cys h GLU 143 CO 0.00 0.98 0.28 -0.09 -1.00 0.00 0.00 179.01 179.19 3cys h ARG 144 N 0.80 0.00 -0.96 2.33 2.43 -0.50 0.18 114.38 118.66 3cys h ARG 144 Ca 0.14 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.92 3cys h ARG 144 Cb 0.59 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 29.91 3cys h ARG 144 CO 0.04 0.00 0.49 1.19 -1.51 0.00 0.00 179.97 180.18 3cys n PHE 145 N -4.25 2.51 -1.04 2.20 3.72 -1.15 -4.86 117.46 114.60 3cys n PHE 145 Ca 0.06 -1.52 0.00 0.00 -0.05 0.00 0.00 57.45 55.93 3cys n PHE 145 Cb 0.46 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 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 -0.73 2.03 0.00 1.37 0.00 0.62 -0.62 105.19 107.85 3cys n GLY 146 Ca 0.48 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3cys n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cys n SER 147 N 0.00 0.00 0.02 1.61 7.64 -0.74 -4.15 113.62 118.00 3cys n SER 147 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3cys n SER 147 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3cys n SER 147 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3cys n ARG 148 N -0.11 0.00 0.09 1.43 0.63 -1.26 -4.53 116.66 112.91 3cys n ARG 148 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 3cys n ARG 148 Cb 0.00 0.00 0.14 0.00 0.45 0.00 0.00 32.46 33.05 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 0.23 0.00 6.15 -1.07 -1.99 -3.46 115.58 115.44 3cys h ASN 149 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.24 3cys h ASN 149 Cb 0.00 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 3cys h ASN 149 CO 0.00 0.76 0.00 0.61 0.07 0.00 0.00 177.43 178.87 3cys n GLY 150 N 0.20 0.08 3.15 9.14 0.00 -1.26 -5.01 105.19 111.49 3cys n GLY 150 Ca -0.02 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 3cys n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 151 N 0.00 0.38 0.28 1.61 2.20 -1.25 -4.68 119.74 118.29 3cys s LYS 151 Ca 0.00 0.14 -0.12 0.00 -0.36 0.00 0.00 55.97 55.63 3cys s LYS 151 Cb 0.00 0.18 -0.08 0.00 -1.51 0.00 0.00 37.83 36.42 3cys s LYS 151 CO 0.00 -0.07 0.64 0.95 -0.36 0.00 0.00 175.35 176.51 3cys s THR 152 N -0.34 4.82 -0.21 3.43 -4.23 -1.26 -1.80 115.64 116.06 3cys s THR 152 Ca -0.05 0.65 0.29 0.00 -1.18 0.00 0.00 61.69 61.40 3cys s THR 152 Cb -0.03 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.52 3cys s THR 152 CO 0.01 -0.17 1.83 0.77 -0.54 0.00 0.00 174.62 176.53 3cys h SER 153 N 2.27 0.00 0.00 3.99 4.64 -1.03 -3.44 113.55 119.98 3cys h SER 153 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3cys h SER 153 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3cys h SER 153 CO 0.67 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.92 3cys n LYS 154 N -2.83 0.00 -3.69 4.77 4.01 -1.26 -5.11 118.16 114.05 3cys n LYS 154 Ca 0.02 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.69 3cys n LYS 154 Cb 0.34 0.00 -0.09 0.00 -0.51 0.00 0.00 35.03 34.77 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3cys s LYS 155 N 0.13 0.59 -0.35 1.97 1.02 -1.26 -5.10 119.74 116.74 3cys s LYS 155 Ca 0.00 0.78 0.01 0.00 0.02 0.00 0.00 55.97 56.77 3cys s LYS 155 Cb 0.00 0.24 0.09 0.00 -0.52 0.00 0.00 37.83 37.65 3cys s LYS 155 CO 0.00 -0.09 0.08 0.42 -0.92 0.00 0.00 175.35 174.84 3cys s ILE 156 N 0.53 2.72 -0.17 2.17 -1.09 -1.26 -2.80 121.20 121.29 3cys s ILE 156 Ca -0.02 -2.06 -0.08 0.00 -2.23 0.00 0.00 60.65 56.26 3cys s ILE 156 Cb -0.04 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 3cys s ILE 156 CO -0.03 -0.52 0.10 0.42 -1.23 0.00 0.00 174.94 173.68 3cys s THR 157 N 1.05 5.12 -0.76 2.92 -4.23 0.31 -3.21 115.64 116.83 3cys s THR 157 Ca 0.06 0.08 -0.26 0.00 -1.18 0.00 0.00 61.69 60.39 3cys s THR 157 Cb -0.21 -3.30 0.02 0.00 1.34 0.00 0.00 72.50 70.36 3cys s THR 157 CO -0.06 0.49 1.39 -0.63 -0.54 0.00 0.00 174.62 175.27 3cys s ILE 158 N 0.06 3.69 0.07 2.99 1.01 0.63 -1.25 121.20 128.41 3cys s ILE 158 Ca 0.07 0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.69 3cys s ILE 158 Cb -0.12 -4.80 -0.16 0.00 0.01 0.00 0.00 42.46 37.39 3cys s ILE 158 CO 0.00 -1.74 1.65 0.00 0.00 0.00 0.00 174.94 174.85 3cys h ALA 159 N 10.63 -0.25 -1.32 9.38 0.00 -1.83 -3.39 119.26 132.49 3cys h ALA 159 Ca -0.21 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 54.87 3cys h ALA 159 Cb 1.06 0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.73 3cys h ALA 159 CO 1.29 -0.61 0.85 0.16 0.00 0.00 0.00 179.25 180.94 3cys s ASP 160 N -5.02 -0.11 0.18 0.00 -4.77 -1.26 -5.05 116.67 100.64 3cys s ASP 160 Ca -0.14 0.04 -0.00 0.00 -3.30 0.00 0.00 52.55 49.14 3cys s ASP 160 Cb 0.05 0.11 -0.04 0.00 -1.09 0.00 0.00 42.92 41.94 3cys s ASP 160 CO 0.64 -0.16 0.09 0.00 0.70 0.00 0.00 175.17 176.44 3cys s GLY 162 N -3.15 -0.24 -0.14 0.00 0.00 -0.98 -5.03 107.32 97.78 3cys s GLY 162 Ca 0.32 -0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.97 3cys s GLY 162 CO 0.08 -0.12 -0.04 1.62 0.00 0.00 0.00 173.10 174.64 3cys s GLN 163 N -3.85 3.49 -0.79 2.90 0.74 -1.26 -1.86 119.66 119.04 3cys s GLN 163 Ca 0.07 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.99 3cys s GLN 163 Cb -0.02 -2.86 0.22 0.00 1.10 0.00 0.00 33.01 31.46 3cys s GLN 163 CO -0.04 0.34 0.77 1.28 -0.55 0.00 0.00 175.29 177.08 3cys n LEU 164 N 3.24 3.98 0.00 3.68 4.77 0.13 -4.99 117.00 127.81 3cys n LEU 164 Ca -0.18 -5.26 0.05 0.00 -0.03 0.00 0.00 56.01 50.60 3cys n LEU 164 Cb 0.53 -0.89 0.31 0.00 -2.33 0.00 0.00 43.42 41.03 3cys n LEU 164 CO 0.32 1.78 0.53 1.21 -1.33 0.00 0.00 177.39 179.90