#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 -1.82 -2.69 3.17 0.24 -1.26 -2.88 118.33 113.10 3cys n VAL 2 Ca 0.00 -0.34 -0.01 0.00 -2.04 0.00 0.00 64.34 61.95 3cys n VAL 2 Cb 0.00 -1.56 -0.01 0.00 -1.47 0.00 0.00 33.84 30.80 3cys n VAL 2 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3cys n ASN 3 N -1.20 -6.45 -4.81 -1.34 3.02 -1.26 -4.98 115.26 98.24 3cys n ASN 3 Ca -0.10 1.42 -0.30 0.00 -0.03 0.00 0.00 54.58 55.58 3cys n ASN 3 Cb 0.39 -5.33 0.08 0.00 -0.61 0.00 0.00 39.78 34.31 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 -1.44 2.21 -0.02 3.52 0.04 -1.14 -4.78 135.00 133.40 3cys s PRO 4 Ca -0.06 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.73 3cys s PRO 4 Cb 0.00 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 3cys s PRO 4 CO 0.79 -1.54 -0.23 0.99 0.04 0.00 0.00 177.00 177.05 3cys s THR 5 N -3.14 1.84 0.25 1.26 2.01 -1.26 -3.17 115.64 113.42 3cys s THR 5 Ca 0.60 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 61.67 3cys s THR 5 Cb -0.14 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 3cys s THR 5 CO 0.54 0.52 -0.03 0.68 -0.69 0.00 0.00 174.62 175.64 3cys s VAL 6 N -0.46 1.29 0.22 3.82 -7.23 -1.20 -1.26 120.40 115.57 3cys s VAL 6 Ca 0.06 -2.07 0.11 0.00 -1.81 0.00 0.00 61.98 58.27 3cys s VAL 6 Cb -0.10 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 3cys s VAL 6 CO -0.00 -0.34 -0.17 0.72 -0.31 0.00 0.00 175.10 175.00 3cys s PHE 7 N -3.25 2.42 -0.24 2.82 -0.12 -0.54 -2.59 117.98 116.47 3cys s PHE 7 Ca 0.28 -0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 56.83 3cys s PHE 7 Cb 0.05 -1.15 0.11 0.00 -0.63 0.00 0.00 43.02 41.40 3cys s PHE 7 CO 0.10 0.56 0.25 0.12 -0.05 0.00 0.00 175.22 176.20 3cys s PHE 8 N -1.92 -0.33 -0.17 3.49 5.36 -1.26 -3.25 117.98 119.90 3cys s PHE 8 Ca 0.25 0.02 -0.14 0.00 -0.96 0.00 0.00 56.93 56.10 3cys s PHE 8 Cb -0.07 -0.42 -0.05 0.00 -0.34 0.00 0.00 43.02 42.14 3cys s PHE 8 CO 0.13 -0.74 0.29 0.34 -1.46 0.00 0.00 175.22 173.77 3cys s ASP 9 N 2.33 6.40 -0.09 6.13 -1.08 -1.06 -1.38 116.67 127.93 3cys s ASP 9 Ca 0.08 0.47 -0.01 0.00 -0.52 0.00 0.00 52.55 52.57 3cys s ASP 9 Cb -0.15 -2.18 -0.03 0.00 -1.46 0.00 0.00 42.92 39.10 3cys s ASP 9 CO -0.22 0.08 -0.02 -0.63 0.52 0.00 0.00 175.17 174.90 3cys s ILE 10 N 0.58 4.09 -0.13 4.11 1.09 -0.90 -2.36 121.20 127.66 3cys s ILE 10 Ca 0.16 -0.33 0.03 0.00 -1.10 0.00 0.00 60.65 59.40 3cys s ILE 10 Cb -0.13 -2.71 0.01 0.00 -1.06 0.00 0.00 42.46 38.57 3cys s ILE 10 CO 0.04 0.59 -0.21 0.00 -0.10 0.00 0.00 174.94 175.25 3cys s ALA 11 N -0.72 2.17 -0.48 9.38 0.00 -0.31 -1.11 121.76 130.68 3cys s ALA 11 Ca 0.11 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 3cys s ALA 11 Cb -0.11 -0.96 0.12 0.00 0.00 0.00 0.00 23.12 22.17 3cys s ALA 11 CO 0.02 -0.00 0.33 0.08 0.00 0.00 0.00 175.76 176.19 3cys s VAL 12 N 0.79 4.01 -0.36 0.00 1.01 0.17 -1.45 120.40 124.57 3cys s VAL 12 Ca -0.08 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 59.76 3cys s VAL 12 Cb -0.16 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3cys s VAL 12 CO -0.01 -0.77 0.44 0.47 0.00 0.00 0.00 175.10 175.23 3cys n ASP 13 N 4.71 -7.00 -4.21 3.32 8.00 -1.22 -2.95 116.55 117.21 3cys n ASP 13 Ca -0.05 0.45 -0.34 0.00 0.71 0.00 0.00 54.79 55.56 3cys n ASP 13 Cb 0.41 -3.67 -0.04 0.00 -0.02 0.00 0.00 41.12 37.80 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 0.12 -0.34 3.39 0.44 0.00 -1.26 -4.92 105.19 102.63 3cys n GLY 14 Ca 0.02 0.14 -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 -6.93 0.42 -0.31 1.61 2.56 -1.15 -5.12 118.70 109.76 3cys s GLU 15 Ca 0.46 1.17 -0.29 0.00 0.00 0.00 0.00 54.97 56.32 3cys s GLU 15 Cb -0.26 0.51 -0.00 0.00 2.00 0.00 0.00 34.13 36.39 3cys s GLU 15 CO 0.94 -0.25 1.36 -1.25 -0.56 0.00 0.00 175.26 175.51 3cys s PRO 16 N 2.72 3.83 0.01 4.30 0.04 -1.26 0.42 135.00 145.06 3cys s PRO 16 Ca -0.03 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 3cys s PRO 16 Cb -0.12 -3.93 -0.23 0.00 0.04 0.00 0.00 34.50 30.26 3cys s PRO 16 CO -0.15 -1.23 1.11 1.25 0.04 0.00 0.00 177.00 178.02 3cys h LEU 17 N 11.24 0.57 0.00 -3.56 5.85 -1.49 -3.48 115.31 124.44 3cys h LEU 17 Ca -0.27 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.69 3cys h LEU 17 Cb 1.11 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3cys h LEU 17 CO 1.04 1.25 0.00 0.61 -0.34 0.00 0.00 178.44 181.00 3cys n GLY 18 N 1.06 -0.93 3.44 3.75 0.00 -1.24 -5.03 105.19 106.24 3cys n GLY 18 Ca -0.10 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.73 3.32 -0.11 1.61 0.52 -1.26 -2.12 118.95 119.17 3cys s ARG 19 Ca 0.00 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 3cys s ARG 19 Cb 0.00 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 3cys s ARG 19 CO 0.00 0.32 -0.08 0.28 0.02 0.00 0.00 175.30 175.84 3cys h VAL 20 N 5.09 0.00 -1.21 3.52 2.07 -1.54 -3.43 116.25 120.76 3cys h VAL 20 Ca -0.32 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3cys h VAL 20 Cb 1.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3cys h VAL 20 CO 0.57 0.00 -0.29 -1.20 0.02 0.00 0.00 177.57 176.67 3cys n SER 21 N -4.47 -3.66 -4.25 0.57 7.64 -1.26 -3.23 113.62 104.97 3cys n SER 21 Ca -0.03 0.40 -0.14 0.00 1.01 0.00 0.00 58.87 60.11 3cys n SER 21 Cb 0.12 -0.87 -0.10 0.00 -1.01 0.00 0.00 64.21 62.35 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 -2.18 1.24 -0.13 1.43 0.08 -1.07 -2.05 117.98 115.30 3cys s PHE 22 Ca 0.00 -0.93 -0.01 0.00 0.12 0.00 0.00 56.93 56.11 3cys s PHE 22 Cb 0.00 -0.70 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 3cys s PHE 22 CO 0.00 -0.11 -0.11 -1.21 -0.10 0.00 0.00 175.22 173.70 3cys s GLU 23 N -3.86 3.44 -0.38 0.44 2.02 0.14 -3.25 118.70 117.25 3cys s GLU 23 Ca 0.22 -0.64 -0.13 0.00 0.02 0.00 0.00 54.97 54.44 3cys s GLU 23 Cb 0.05 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.60 3cys s GLU 23 CO 0.03 0.24 0.24 -0.51 0.02 0.00 0.00 175.26 175.28 3cys s LEU 24 N 0.32 4.81 -1.27 1.80 1.43 -1.19 -1.95 118.68 122.63 3cys s LEU 24 Ca -0.09 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 51.95 3cys s LEU 24 Cb -0.15 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.00 3cys s LEU 24 CO 0.05 -0.38 1.88 0.49 0.23 0.00 0.00 176.35 178.61 3cys n PHE 25 N 5.07 3.87 0.26 0.29 3.01 -1.18 -4.17 117.46 124.60 3cys n PHE 25 Ca -0.12 -2.51 0.14 0.00 1.01 0.00 0.00 57.45 55.97 3cys n PHE 25 Cb 0.47 -2.55 0.34 0.00 -0.01 0.00 0.00 39.48 37.73 3cys n PHE 25 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cys h ALA 26 N 7.75 1.00 -0.83 4.37 0.00 -1.87 -2.15 119.26 127.53 3cys h ALA 26 Ca 0.42 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.43 3cys h ALA 26 Cb 0.83 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3cys h ALA 26 CO 1.52 0.00 0.46 0.22 0.00 0.00 0.00 179.25 181.46 3cys h ASP 27 N 0.00 0.65 0.00 0.00 3.58 -1.97 -2.65 116.42 116.03 3cys h ASP 27 Ca 0.00 0.05 -0.36 0.00 0.42 0.00 0.00 57.03 57.14 3cys h ASP 27 Cb 0.83 -0.07 -0.07 0.00 1.72 0.00 0.00 39.33 41.75 3cys h ASP 27 CO 0.00 0.36 -2.37 0.29 -2.88 0.00 0.00 179.24 174.63 3cys n LYS 28 N -4.76 0.66 -3.46 0.28 5.02 -1.19 -4.78 118.16 109.92 3cys n LYS 28 Ca 0.14 0.11 -0.28 0.00 -2.02 0.00 0.00 58.31 56.26 3cys n LYS 28 Cb 0.30 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 3cys n LYS 28 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3cys s VAL 29 N -2.48 0.43 0.17 -0.18 -7.23 -0.81 -4.96 120.40 105.33 3cys s VAL 29 Ca -0.28 -2.31 0.12 0.00 -1.81 0.00 0.00 61.98 57.69 3cys s VAL 29 Cb 0.08 -1.31 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 3cys s VAL 29 CO 0.60 -1.10 1.54 1.55 -0.31 0.00 0.00 175.10 177.38 3cys h PRO 30 N 6.29 0.00 0.73 4.82 0.13 -1.67 -2.39 132.00 139.90 3cys h PRO 30 Ca 0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 3cys h PRO 30 Cb 0.93 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.07 3cys h PRO 30 CO 0.35 0.65 -0.35 0.87 -0.23 0.00 0.00 178.00 179.29 3cys h LYS 31 N 0.00 -0.94 -0.75 0.86 1.57 -1.93 0.23 116.57 115.61 3cys h LYS 31 Ca -0.01 0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3cys h LYS 31 Cb 1.25 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.74 3cys h LYS 31 CO 0.08 -0.61 0.34 1.15 -0.57 0.00 0.00 179.45 179.85 3cys h THR 32 N -1.17 1.24 -0.55 -0.16 2.02 -1.97 -2.18 112.91 110.15 3cys h THR 32 Ca -0.10 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 3cys h THR 32 Cb 0.77 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3cys h THR 32 CO 0.16 0.29 0.15 0.00 0.37 0.00 0.00 175.52 176.50 3cys h ALA 33 N 1.30 0.72 -0.59 6.16 0.00 -1.36 -2.88 119.26 122.61 3cys h ALA 33 Ca 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3cys h ALA 33 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3cys h ALA 33 CO -0.03 0.39 0.27 1.49 0.00 0.00 0.00 179.25 181.38 3cys h GLU 34 N 0.76 0.86 -0.64 0.00 4.81 -0.09 0.22 114.58 120.51 3cys h GLU 34 Ca 0.17 -0.14 0.13 0.00 -0.13 0.00 0.00 59.36 59.39 3cys h GLU 34 Cb 0.31 -0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.44 3cys h GLU 34 CO -0.00 0.71 0.13 -0.97 -0.73 0.00 0.00 179.01 178.15 3cys h ASN 35 N 0.81 -0.01 -0.17 1.04 -1.24 -1.20 0.27 115.58 115.08 3cys h ASN 35 Ca 0.20 0.12 -0.20 0.00 0.71 0.00 0.00 56.30 57.13 3cys h ASN 35 Cb 0.14 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.37 3cys h ASN 35 CO -0.02 -0.01 -0.67 0.15 -1.29 0.00 0.00 177.43 175.58 3cys h PHE 36 N 0.26 1.04 -0.63 0.67 3.04 -1.28 -3.10 116.94 116.95 3cys h PHE 36 Ca 0.34 -0.42 0.08 0.00 3.98 0.00 0.00 57.97 61.95 3cys h PHE 36 Cb 0.53 -0.18 -0.07 0.00 2.56 0.00 0.00 35.95 38.80 3cys h PHE 36 CO -0.26 1.24 0.28 -0.09 -2.02 0.00 0.00 178.31 177.47 3cys h ARG 37 N 0.58 0.49 -0.22 1.11 2.43 0.11 -1.45 114.38 117.42 3cys h ARG 37 Ca -0.02 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3cys h ARG 37 Cb 1.29 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3cys h ARG 37 CO 0.14 0.32 -0.12 0.00 -1.51 0.00 0.00 179.97 178.81 3cys h ALA 38 N 1.39 1.40 0.00 2.80 0.00 -0.52 0.26 119.26 124.60 3cys h ALA 38 Ca 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cys h ALA 38 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3cys h ALA 38 CO -0.26 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3cys n LEU 39 N -4.25 0.00 -0.10 0.00 4.77 -0.57 -0.05 117.00 116.81 3cys n LEU 39 Ca -0.00 0.24 -0.17 0.00 -0.03 0.00 0.00 56.01 56.06 3cys n LEU 39 Cb 0.29 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3cys n LEU 39 CO 0.39 -0.06 -1.16 -0.24 -1.33 0.00 0.00 177.39 174.99 3cys n SER 40 N -1.24 2.13 -3.46 -1.43 2.88 -0.08 -1.39 113.62 111.02 3cys n SER 40 Ca 0.12 0.02 -0.28 0.00 -1.33 0.00 0.00 58.87 57.40 3cys n SER 40 Cb 0.17 -0.41 -0.11 0.00 -0.75 0.00 0.00 64.21 63.10 3cys n SER 40 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3cys s THR 41 N -2.38 0.37 -0.39 2.46 -1.32 0.72 -4.14 115.64 110.95 3cys s THR 41 Ca -0.27 -2.17 0.03 0.00 -1.21 0.00 0.00 61.69 58.07 3cys s THR 41 Cb 0.08 -1.27 0.16 0.00 -1.51 0.00 0.00 72.50 69.96 3cys s THR 41 CO 0.42 -1.07 0.39 -0.83 -2.21 0.00 0.00 174.62 171.32 3cys s GLY 42 N 0.59 0.17 0.62 6.08 0.00 0.93 -4.39 107.32 111.32 3cys s GLY 42 Ca 0.24 -1.32 0.34 0.00 0.00 0.00 0.00 44.72 43.98 3cys s GLY 42 CO -0.07 2.65 2.25 0.83 0.00 0.00 0.00 173.10 178.76 3cys h GLU 43 N 6.52 0.00 0.00 2.90 4.39 -1.86 2.84 114.58 129.38 3cys h GLU 43 Ca 0.10 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 3cys h GLU 43 Cb 1.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 3cys h GLU 43 CO 0.22 0.00 -1.71 0.36 -1.16 0.00 0.00 179.01 176.72 3cys n LYS 44 N -3.57 0.64 -0.07 2.33 -0.00 -1.26 -4.39 118.16 111.85 3cys n LYS 44 Ca -0.02 0.09 0.05 0.00 -0.00 0.00 0.00 58.31 58.42 3cys n LYS 44 Cb 0.13 -1.69 0.07 0.00 -0.00 0.00 0.00 35.03 33.54 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cys n GLY 45 N 1.43 3.48 3.75 2.58 0.00 -0.60 -5.02 105.19 110.80 3cys n GLY 45 Ca -0.13 -0.56 0.02 0.00 0.00 0.00 0.00 46.02 45.35 3cys n GLY 45 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3cys n PHE 46 N -0.91 -1.76 -4.23 1.61 1.16 0.94 -4.52 117.46 109.76 3cys n PHE 46 Ca 0.08 0.18 -0.25 0.00 -1.87 0.00 0.00 57.45 55.60 3cys n PHE 46 Cb 0.48 -0.31 -0.08 0.00 -1.61 0.00 0.00 39.48 37.97 3cys n PHE 46 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3cys s GLY 47 N -1.74 2.18 0.01 4.97 0.00 -1.26 -3.83 107.32 107.65 3cys s GLY 47 Ca 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 44.72 42.62 3cys s GLY 47 CO 0.00 -1.89 0.98 -1.82 0.00 0.00 0.00 173.10 170.37 3cys h TYR 48 N 1.61 -0.26 -5.57 1.90 5.03 -1.57 -3.45 116.97 114.66 3cys h TYR 48 Ca -0.43 -0.01 -0.26 0.00 2.58 0.00 0.00 58.73 60.61 3cys h TYR 48 Cb 1.25 0.09 -0.11 0.00 1.55 0.00 0.00 36.73 39.51 3cys h TYR 48 CO 0.66 -0.16 -0.40 1.63 -1.32 0.00 0.00 178.16 178.57 3cys n LYS 49 N -2.85 -0.95 -1.55 1.82 5.02 -1.26 -4.66 118.16 113.73 3cys n LYS 49 Ca -0.04 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3cys n LYS 49 Cb 0.11 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 3cys n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cys n GLY 50 N -1.41 2.95 2.43 0.72 0.00 -1.26 -4.90 105.19 103.72 3cys n GLY 50 Ca -0.09 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 7.94 0.29 -0.02 1.61 7.64 -1.25 -4.33 113.62 125.49 3cys n SER 51 Ca 0.50 0.79 0.00 0.00 1.01 0.00 0.00 58.87 61.17 3cys n SER 51 Cb 0.41 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 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 0.00 0.10 0.00 0.00 -0.71 -1.22 -3.85 117.98 112.30 3cys s PHE 53 Ca 0.00 -0.46 0.00 0.00 -1.04 0.00 0.00 56.93 55.43 3cys s PHE 53 Cb 0.00 0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.93 3cys s PHE 53 CO 0.00 -0.74 0.17 0.72 -1.34 0.00 0.00 175.22 174.03 3cys n HIS 54 N -0.23 0.00 -3.64 3.49 8.25 0.65 -4.85 115.22 118.90 3cys n HIS 54 Ca -0.11 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.28 3cys n HIS 54 Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.67 3cys n HIS 54 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3cys s ARG 55 N -0.35 0.53 -0.15 -0.41 1.70 -1.26 -4.80 118.95 114.21 3cys s ARG 55 Ca 0.00 0.74 -0.08 0.00 -0.47 0.00 0.00 55.73 55.93 3cys s ARG 55 Cb 0.00 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3cys s ARG 55 CO 0.00 -0.08 0.11 0.42 -1.08 0.00 0.00 175.30 174.67 3cys s ILE 56 N 0.77 5.25 -0.08 4.99 1.01 0.22 -4.68 121.20 128.68 3cys s ILE 56 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.77 3cys s ILE 56 Cb -0.05 -3.33 0.01 0.00 0.01 0.00 0.00 42.46 39.11 3cys s ILE 56 CO -0.10 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.61 3cys s ILE 57 N -0.36 1.28 -0.01 2.92 1.01 -1.22 -4.34 121.20 120.48 3cys s ILE 57 Ca 0.11 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 3cys s ILE 57 Cb -0.12 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3cys s ILE 57 CO 0.01 0.39 1.20 -2.16 0.00 0.00 0.00 174.94 174.38 3cys s PRO 58 N 0.79 4.39 -0.18 2.79 0.04 -1.26 -3.42 135.00 138.15 3cys s PRO 58 Ca -0.12 1.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3cys s PRO 58 Cb -0.16 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.91 3cys s PRO 58 CO 0.02 -0.37 0.15 0.41 0.04 0.00 0.00 177.00 177.26 3cys n GLY 59 N 3.30 0.57 2.06 0.56 0.00 -1.26 -4.92 105.19 105.51 3cys n GLY 59 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.22 -2.72 -3.61 1.61 7.35 -1.22 -5.00 117.46 111.66 3cys n PHE 60 Ca -0.02 0.46 -0.02 0.00 -0.76 0.00 0.00 57.45 57.11 3cys n PHE 60 Cb 0.51 1.44 -0.01 0.00 0.35 0.00 0.00 39.48 41.77 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 -1.32 0.39 0.30 -4.13 0.23 -1.22 -2.81 119.30 110.74 3cys s MET 61 Ca 0.00 -0.18 0.03 0.00 -1.03 0.00 0.00 55.69 54.50 3cys s MET 61 Cb 0.00 0.16 -0.05 0.00 -1.53 0.00 0.00 34.83 33.41 3cys s MET 61 CO 0.00 -0.18 0.09 0.00 -2.03 0.00 0.00 175.02 172.91 3cys s GLN 63 N -3.94 1.74 0.00 0.00 0.00 -1.26 0.44 119.66 116.65 3cys s GLN 63 Ca 0.36 -1.02 0.00 0.00 -0.00 0.00 0.00 55.36 54.70 3cys s GLN 63 Cb 0.07 0.55 0.00 0.00 0.00 0.00 0.00 33.01 33.64 3cys s GLN 63 CO 0.15 -0.81 0.00 0.41 0.00 0.00 0.00 175.29 175.04 3cys n GLY 64 N -0.50 0.86 0.00 2.60 0.00 -1.26 -4.59 105.19 102.30 3cys n GLY 64 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 5.00 2.86 3.97 -0.02 0.00 -1.25 -0.25 105.19 115.50 3cys n GLY 65 Ca 0.00 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.70 4.98 0.19 1.61 1.01 -1.26 -4.87 116.67 117.62 3cys s ASP 66 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.27 3cys s ASP 66 Cb 0.00 -0.74 0.00 0.00 1.01 0.00 0.00 42.92 43.19 3cys s ASP 66 CO 0.00 -1.39 0.00 0.33 0.21 0.00 0.00 175.17 174.32 3cys n PHE 67 N -2.57 -1.59 -0.07 4.23 7.35 -0.63 -3.80 117.46 120.39 3cys n PHE 67 Ca 0.09 0.28 -0.04 0.00 -0.76 0.00 0.00 57.45 57.03 3cys n PHE 67 Cb 0.60 0.50 -0.15 0.00 0.35 0.00 0.00 39.48 40.79 3cys n PHE 67 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 3cys n THR 68 N -3.17 0.93 0.02 -2.13 -1.04 -1.15 -4.58 114.28 103.16 3cys n THR 68 Ca 0.00 -0.70 -0.22 0.00 -2.04 0.00 0.00 64.05 61.10 3cys n THR 68 Cb 0.00 -0.36 -0.14 0.00 -1.82 0.00 0.00 70.33 68.01 3cys n THR 68 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3cys h ARG 69 N 0.00 0.26 -5.31 -2.82 2.47 -1.54 -3.49 114.38 103.95 3cys h ARG 69 Ca -0.37 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 57.91 3cys h ARG 69 Cb 1.81 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 30.27 3cys h ARG 69 CO 0.02 1.21 -1.08 0.72 0.56 0.00 0.00 179.97 181.40 3cys n HIS 70 N -3.90 -3.46 0.00 3.04 8.25 -1.25 -3.60 115.22 114.31 3cys n HIS 70 Ca -0.25 1.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.87 3cys n HIS 70 Cb 0.91 -3.51 0.00 0.00 1.12 0.00 0.00 29.99 28.51 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 1.05 0.00 -0.27 0.41 2.85 -1.26 -4.67 115.26 113.37 3cys n ASN 71 Ca -0.08 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.30 3cys n ASN 71 Cb 0.19 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.17 3cys n ASN 71 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3cys h GLY 72 N 0.00 -0.53 0.00 8.20 0.00 -1.98 -3.44 103.07 105.32 3cys h GLY 72 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.96 3cys h GLY 72 CO 0.00 -0.12 0.00 2.41 0.00 0.00 0.00 176.54 178.83 3cys n THR 73 N -5.38 0.00 0.00 4.70 -1.04 -1.26 -5.13 114.28 106.17 3cys n THR 73 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3cys n THR 73 Cb 0.34 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 -0.30 -2.38 0.00 3.41 0.00 -1.26 -4.89 105.19 99.76 3cys n GLY 74 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.60 3.01 3.45 -0.02 0.00 -1.25 -1.36 105.19 108.43 3cys n GLY 75 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 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 0.79 1.67 0.39 1.61 1.02 -1.26 -4.03 119.74 119.93 3cys s LYS 76 Ca 0.00 -1.94 0.08 0.00 0.02 0.00 0.00 55.97 54.13 3cys s LYS 76 Cb 0.00 -0.79 -0.06 0.00 -0.52 0.00 0.00 37.83 36.46 3cys s LYS 76 CO 0.00 -0.23 0.12 -1.54 -0.92 0.00 0.00 175.35 172.77 3cys s SER 77 N -3.49 4.32 0.51 2.83 1.04 0.36 -4.30 113.70 114.97 3cys s SER 77 Ca 0.35 -1.07 0.29 0.00 0.48 0.00 0.00 55.95 56.00 3cys s SER 77 Cb 0.08 -0.50 1.33 0.00 0.10 0.00 0.00 66.02 67.03 3cys s SER 77 CO 0.15 -0.44 1.99 0.16 0.98 0.00 0.00 173.24 176.08 3cys h ILE 78 N 1.57 0.37 -0.00 -1.02 3.07 -1.89 -1.98 117.51 117.62 3cys h ILE 78 Ca -0.43 -0.68 0.00 0.00 1.55 0.00 0.00 64.86 65.30 3cys h ILE 78 Cb 1.25 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.30 3cys h ILE 78 CO 0.70 0.11 -0.41 -1.22 -1.05 0.00 0.00 178.15 176.29 3cys n TYR 79 N -3.36 0.00 0.00 0.16 4.01 -1.26 -5.03 117.16 111.68 3cys n TYR 79 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3cys n TYR 79 Cb 0.31 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 1.45 1.01 0.38 2.72 0.00 -0.74 -4.85 105.19 105.16 3cys n GLY 80 Ca 0.08 -1.96 0.15 0.00 0.00 0.00 0.00 46.02 44.28 3cys n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cys h GLU 81 N 6.43 0.45 -4.05 1.61 4.81 -1.94 0.10 114.58 122.00 3cys h GLU 81 Ca 0.00 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 3cys h GLU 81 Cb 0.00 -0.10 -0.14 0.00 0.63 0.00 0.00 28.75 29.14 3cys h GLU 81 CO 0.00 0.30 -0.48 0.15 -0.73 0.00 0.00 179.01 178.25 3cys s LYS 82 N -5.46 0.91 0.06 1.92 1.02 -1.26 -4.17 119.74 112.76 3cys s LYS 82 Ca -0.08 -1.18 -0.26 0.00 0.02 0.00 0.00 55.97 54.46 3cys s LYS 82 Cb 0.21 0.31 0.08 0.00 -0.52 0.00 0.00 37.83 37.91 3cys s LYS 82 CO 0.77 -0.28 0.73 -0.59 -0.92 0.00 0.00 175.35 175.06 3cys s PHE 83 N -3.95 -0.48 1.06 3.18 -0.71 -1.04 -4.92 117.98 111.13 3cys s PHE 83 Ca 0.13 0.41 -0.11 0.00 -1.04 0.00 0.00 56.93 56.31 3cys s PHE 83 Cb 0.06 0.53 0.23 0.00 -1.21 0.00 0.00 43.02 42.62 3cys s PHE 83 CO -0.05 -0.69 1.08 -1.83 -1.34 0.00 0.00 175.22 172.40 3cys s GLU 84 N -3.06 -0.11 0.14 1.99 1.03 -1.26 -4.03 118.70 113.38 3cys s GLU 84 Ca 0.01 1.19 -0.07 0.00 0.03 0.00 0.00 54.97 56.13 3cys s GLU 84 Cb -0.01 -1.62 -0.06 0.00 -0.80 0.00 0.00 34.13 31.64 3cys s GLU 84 CO -0.08 -3.29 0.41 -0.51 -1.33 0.00 0.00 175.26 170.47 3cys s ASP 85 N -2.54 6.56 0.00 0.83 1.11 -1.26 -4.89 116.67 116.48 3cys s ASP 85 Ca 0.68 0.71 0.00 0.00 0.18 0.00 0.00 52.55 54.12 3cys s ASP 85 Cb -0.24 -2.14 0.00 0.00 1.07 0.00 0.00 42.92 41.61 3cys s ASP 85 CO 0.62 0.07 0.30 -0.62 1.18 0.00 0.00 175.17 176.72 3cys n GLU 86 N 0.31 0.00 -3.87 8.23 4.71 -1.26 -5.05 120.64 123.71 3cys n GLU 86 Ca -0.04 0.30 -0.03 0.00 -0.01 0.00 0.00 57.16 57.39 3cys n GLU 86 Cb 0.52 -0.99 0.01 0.00 -1.01 0.00 0.00 31.44 29.97 3cys n GLU 86 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3cys s ASN 87 N -2.12 -0.01 -0.34 1.62 2.20 -1.26 -5.05 114.94 109.97 3cys s ASN 87 Ca 0.00 -0.62 0.06 0.00 -0.94 0.00 0.00 52.86 51.36 3cys s ASN 87 Cb 0.00 0.48 0.45 0.00 -2.00 0.00 0.00 41.25 40.18 3cys s ASN 87 CO 0.00 -0.94 1.25 0.49 -2.94 0.00 0.00 177.10 174.96 3cys n PHE 88 N -0.68 2.86 -0.17 1.54 3.01 -1.26 -4.74 117.46 118.01 3cys n PHE 88 Ca -0.03 -2.37 -0.07 0.00 1.01 0.00 0.00 57.45 55.98 3cys n PHE 88 Cb 0.60 -0.40 0.02 0.00 -0.01 0.00 0.00 39.48 39.68 3cys n PHE 88 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3cys h ILE 89 N 2.14 1.16 -4.36 4.37 2.04 -1.97 -3.43 117.51 117.46 3cys h ILE 89 Ca 0.38 -0.36 -0.48 0.00 1.00 0.00 0.00 64.86 65.40 3cys h ILE 89 Cb 1.41 0.48 0.08 0.00 -0.74 0.00 0.00 36.82 38.04 3cys h ILE 89 CO 0.84 0.16 0.37 -0.76 0.00 0.00 0.00 178.15 178.76 3cys s LEU 90 N -10.05 2.86 0.00 1.44 1.02 -1.26 -5.09 118.68 107.60 3cys s LEU 90 Ca -0.13 0.97 0.04 0.00 0.02 0.00 0.00 54.13 55.03 3cys s LEU 90 Cb 0.12 -3.70 -0.01 0.00 0.02 0.00 0.00 46.19 42.62 3cys s LEU 90 CO 0.75 -1.43 0.37 2.29 0.02 0.00 0.00 176.35 178.35 3cys n LYS 91 N -3.01 0.54 -3.21 1.70 2.85 -1.26 -4.69 118.16 111.07 3cys n LYS 91 Ca 0.07 -3.20 -0.46 0.00 -1.05 0.00 0.00 58.31 53.67 3cys n LYS 91 Cb 0.58 2.79 -0.04 0.00 -0.65 0.00 0.00 35.03 37.72 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 -3.17 3.30 0.07 5.58 3.76 -1.26 -4.88 115.29 118.69 3cys s HIS 92 Ca 0.37 -1.40 -0.15 0.00 -0.15 0.00 0.00 55.06 53.72 3cys s HIS 92 Cb 0.01 -3.93 -0.20 0.00 1.11 0.00 0.00 32.58 29.57 3cys s HIS 92 CO 0.26 -1.15 1.21 1.79 -0.85 0.00 0.00 174.74 176.00 3cys h THR 93 N 5.57 1.32 0.00 1.30 1.35 -1.95 -3.45 112.91 117.04 3cys h THR 93 Ca -0.13 -2.07 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 3cys h THR 93 Cb 1.07 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 3cys h THR 93 CO 0.98 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 177.50 3cys n GLY 94 N 0.91 -0.83 3.80 5.82 0.00 -1.26 -4.84 105.19 108.80 3cys n GLY 94 Ca -0.09 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3cys n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 95 N -0.85 3.54 0.00 1.61 0.04 -1.25 -4.01 135.00 134.07 3cys s PRO 95 Ca 0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3cys s PRO 95 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 3cys s PRO 95 CO 0.00 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.81 3cys n GLY 96 N -0.79 0.65 3.32 0.56 0.00 0.25 -4.89 105.19 104.29 3cys n GLY 96 Ca 0.09 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 2.52 -0.53 -0.61 -1.09 -1.22 -1.51 121.20 116.76 3cys s ILE 97 Ca 0.00 -0.88 -0.17 0.00 -2.23 0.00 0.00 60.65 57.37 3cys s ILE 97 Cb 0.00 -1.99 0.10 0.00 -1.58 0.00 0.00 42.46 38.99 3cys s ILE 97 CO 0.00 0.56 0.55 -0.22 -1.23 0.00 0.00 174.94 174.60 3cys s LEU 98 N 0.02 5.63 0.49 2.97 0.20 -0.64 -0.46 118.68 126.89 3cys s LEU 98 Ca -0.07 -1.43 0.08 0.00 0.69 0.00 0.00 54.13 53.40 3cys s LEU 98 Cb -0.15 -2.27 0.03 0.00 -0.43 0.00 0.00 46.19 43.37 3cys s LEU 98 CO 0.05 -0.88 0.53 -0.55 -0.29 0.00 0.00 176.35 175.21 3cys s SER 99 N 3.21 5.07 -0.01 3.68 0.15 0.55 -3.16 113.70 123.19 3cys s SER 99 Ca 0.08 -0.83 0.05 0.00 0.70 0.00 0.00 55.95 55.95 3cys s SER 99 Cb -0.25 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 63.93 3cys s SER 99 CO 0.06 -0.97 -0.18 -0.32 1.20 0.00 0.00 173.24 173.04 3cys s MET 100 N -4.35 1.43 0.00 5.44 1.75 0.34 -1.00 119.30 122.90 3cys s MET 100 Ca 0.50 -0.63 0.00 0.00 -1.25 0.00 0.00 55.69 54.31 3cys s MET 100 Cb -0.05 -1.38 0.00 0.00 2.84 0.00 0.00 34.83 36.24 3cys s MET 100 CO 0.30 0.38 0.00 0.00 -0.65 0.00 0.00 175.02 175.05 3cys n ALA 101 N 2.65 0.00 -0.58 4.11 0.00 -1.18 -2.99 120.51 122.51 3cys n ALA 101 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3cys n ALA 101 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3cys n ALA 101 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cys n ASN 102 N 0.00 -2.49 -3.27 0.00 3.02 -1.26 -4.71 115.26 106.54 3cys n ASN 102 Ca 0.00 0.10 -0.36 0.00 -0.03 0.00 0.00 54.58 54.28 3cys n ASN 102 Cb 0.00 -1.18 -0.03 0.00 -0.61 0.00 0.00 39.78 37.96 3cys n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cys n ALA 103 N 0.10 7.17 0.00 5.41 0.00 -1.26 -4.81 120.51 127.13 3cys n ALA 103 Ca 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.15 3cys n ALA 103 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 19.45 16.14 3cys n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cys n GLY 104 N 3.59 0.19 3.74 0.00 0.00 -1.26 -4.90 105.19 106.55 3cys n GLY 104 Ca 0.74 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.85 4.59 -1.15 1.61 0.04 -1.26 -3.73 135.00 134.25 3cys s PRO 105 Ca 0.00 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 3cys s PRO 105 Cb 0.00 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.29 3cys s PRO 105 CO 0.00 0.07 1.00 0.09 0.04 0.00 0.00 177.00 178.20 3cys n ASN 106 N 2.24 -5.64 -0.07 6.66 4.13 -1.26 -4.86 115.26 116.46 3cys n ASN 106 Ca 0.02 -0.46 0.01 0.00 1.68 0.00 0.00 54.58 55.83 3cys n ASN 106 Cb 0.46 -4.34 0.01 0.00 -1.54 0.00 0.00 39.78 34.37 3cys n ASN 106 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3cys n THR 107 N -4.61 0.13 -1.62 3.41 -2.24 -1.24 -4.32 114.28 103.79 3cys n THR 107 Ca 0.00 -0.57 -0.44 0.00 -2.27 0.00 0.00 64.05 60.77 3cys n THR 107 Cb 0.55 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 3cys n THR 107 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3cys n ASN 108 N 0.04 3.51 0.05 3.42 5.15 -1.26 -4.77 115.26 121.40 3cys n ASN 108 Ca 0.01 0.61 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 3cys n ASN 108 Cb 0.08 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.84 3cys n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cys n GLY 109 N 5.16 -0.04 2.72 8.20 0.00 -1.26 -2.48 105.19 117.49 3cys n GLY 109 Ca 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.33 -2.50 -3.26 1.61 7.64 -1.26 -3.10 113.62 109.42 3cys n SER 110 Ca 0.00 -2.18 -0.06 0.00 1.01 0.00 0.00 58.87 57.65 3cys n SER 110 Cb 0.00 1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 64.47 3cys n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys s GLN 111 N 0.81 0.49 0.11 1.43 0.00 -1.26 -3.83 119.66 117.42 3cys s GLN 111 Ca 0.28 0.14 0.09 0.00 -0.00 0.00 0.00 55.36 55.87 3cys s GLN 111 Cb 0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 33.01 32.90 3cys s GLN 111 CO -0.10 -1.06 -0.22 -0.59 0.00 0.00 0.00 175.29 173.32 3cys s PHE 112 N 2.50 1.91 -0.04 9.60 -0.12 -1.26 -3.12 117.98 127.44 3cys s PHE 112 Ca 0.11 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 3cys s PHE 112 Cb -0.11 -1.04 0.01 0.00 -0.63 0.00 0.00 43.02 41.24 3cys s PHE 112 CO -0.26 0.24 -0.11 -0.06 -0.05 0.00 0.00 175.22 174.99 3cys s PHE 113 N -1.16 1.19 -0.13 3.49 0.40 -0.17 -4.15 117.98 117.44 3cys s PHE 113 Ca 0.08 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.91 3cys s PHE 113 Cb -0.10 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.52 3cys s PHE 113 CO 0.05 -0.17 0.35 0.42 0.70 0.00 0.00 175.22 176.56 3cys s ILE 114 N 0.40 5.25 -0.06 0.64 1.01 0.17 -0.33 121.20 128.29 3cys s ILE 114 Ca -0.08 0.67 -0.14 0.00 0.00 0.00 0.00 60.65 61.10 3cys s ILE 114 Cb -0.12 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3cys s ILE 114 CO 0.02 0.40 0.38 0.00 0.00 0.00 0.00 174.94 175.73 3cys n THR 116 N 2.44 2.28 -3.64 0.00 -2.24 -1.12 -0.58 114.28 111.42 3cys n THR 116 Ca -0.13 -1.94 0.01 0.00 -2.27 0.00 0.00 64.05 59.72 3cys n THR 116 Cb 0.52 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cys s ALA 117 N -2.86 -2.19 -1.14 6.98 0.00 -1.25 -4.65 121.76 116.65 3cys s ALA 117 Ca 0.42 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 3cys s ALA 117 Cb 0.34 0.40 0.06 0.00 0.00 0.00 0.00 23.12 23.92 3cys s ALA 117 CO 0.08 -1.06 1.58 0.21 0.00 0.00 0.00 175.76 176.57 3cys s LYS 118 N -2.49 3.77 -1.03 0.00 2.20 -1.26 -3.94 119.74 116.99 3cys s LYS 118 Ca 0.14 -1.51 -0.15 0.00 -0.36 0.00 0.00 55.97 54.10 3cys s LYS 118 Cb 0.04 -5.44 0.19 0.00 -1.51 0.00 0.00 37.83 31.11 3cys s LYS 118 CO -0.03 -2.23 1.15 0.95 -0.36 0.00 0.00 175.35 174.82 3cys s THR 119 N 4.65 5.22 -0.95 3.43 -4.23 -1.26 -4.81 115.64 117.69 3cys s THR 119 Ca 0.50 -2.40 0.17 0.00 -1.18 0.00 0.00 61.69 58.78 3cys s THR 119 Cb 0.02 -4.73 0.63 0.00 1.34 0.00 0.00 72.50 69.76 3cys s THR 119 CO -0.02 -1.39 1.54 -1.84 -0.54 0.00 0.00 174.62 172.37 3cys n GLU 120 N 5.10 3.49 -0.07 3.99 0.28 -1.26 -3.52 120.64 128.65 3cys n GLU 120 Ca 0.26 -2.75 0.12 0.00 -0.16 0.00 0.00 57.16 54.62 3cys n GLU 120 Cb 0.45 -1.79 0.14 0.00 1.43 0.00 0.00 31.44 31.67 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 0.79 0.17 0.44 -1.84 2.14 -1.26 -3.90 117.44 113.98 3cys n TRP 121 Ca 0.23 -0.09 0.05 0.00 2.07 0.00 0.00 57.50 59.76 3cys n TRP 121 Cb 0.82 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.29 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 1.38 0.80 0.13 5.67 4.77 -1.23 -4.83 117.00 123.68 3cys n LEU 122 Ca 0.16 -0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 55.37 3cys n LEU 122 Cb 0.59 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 3cys n LEU 122 CO 0.15 0.17 0.51 -0.78 -1.33 0.00 0.00 177.39 176.12 3cys h ASP 123 N 0.51 -1.35 0.75 -1.43 3.58 -1.71 0.34 116.42 117.11 3cys h ASP 123 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3cys h ASP 123 Cb 0.28 0.49 0.00 0.00 1.72 0.00 0.00 39.33 41.82 3cys h ASP 123 CO 0.00 -0.50 0.00 0.61 -2.88 0.00 0.00 179.24 176.47 3cys n GLY 124 N -1.43 -1.31 0.13 -0.78 0.00 -1.26 -2.29 105.19 98.25 3cys n GLY 124 Ca -0.08 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.42 0.70 -4.52 1.61 4.76 -0.07 -4.97 118.16 114.24 3cys n LYS 125 Ca 0.09 -0.27 -0.24 0.00 -2.87 0.00 0.00 58.31 55.01 3cys n LYS 125 Cb 0.27 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 31.92 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 -2.72 2.14 -0.03 2.13 3.76 0.10 -4.96 115.29 115.71 3cys s HIS 126 Ca 0.10 -0.87 0.05 0.00 -0.15 0.00 0.00 55.06 54.19 3cys s HIS 126 Cb 0.16 -1.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 3cys s HIS 126 CO 0.73 0.15 -0.18 0.08 -0.85 0.00 0.00 174.74 174.68 3cys s VAL 127 N -3.08 1.47 -0.09 -0.90 1.01 -1.16 -4.88 120.40 112.78 3cys s VAL 127 Ca 0.34 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3cys s VAL 127 Cb 0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3cys s VAL 127 CO 0.16 0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 174.82 3cys s VAL 128 N -0.22 2.76 0.00 2.92 1.01 -1.26 0.13 120.40 125.73 3cys s VAL 128 Ca 0.02 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.27 3cys s VAL 128 Cb -0.09 -2.10 0.12 0.00 0.00 0.00 0.00 36.38 34.31 3cys s VAL 128 CO 0.01 0.56 1.01 2.22 0.00 0.00 0.00 175.10 178.89 3cys n PHE 129 N 3.03 0.00 0.00 5.22 -1.74 -1.19 -4.59 117.46 118.20 3cys n PHE 129 Ca -0.18 -0.44 0.00 0.00 -0.56 0.00 0.00 57.45 56.27 3cys n PHE 129 Cb 0.52 0.28 0.00 0.00 1.52 0.00 0.00 39.48 41.80 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 0.14 -0.19 3.63 4.97 0.00 -1.24 -3.10 105.19 109.40 3cys n GLY 130 Ca -0.15 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 3cys n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cys s LYS 131 N -2.00 1.64 0.32 1.61 -2.85 -0.82 -1.61 119.74 116.02 3cys s LYS 131 Ca 0.00 -1.25 -0.26 0.00 -1.00 0.00 0.00 55.97 53.46 3cys s LYS 131 Cb 0.00 0.50 -0.10 0.00 -2.06 0.00 0.00 37.83 36.17 3cys s LYS 131 CO 0.00 -0.70 0.96 0.08 0.10 0.00 0.00 175.35 175.79 3cys s VAL 132 N -3.87 4.11 0.00 1.79 1.01 -0.57 -0.68 120.40 122.19 3cys s VAL 132 Ca 0.21 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.97 3cys s VAL 132 Cb -0.02 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3cys s VAL 132 CO 0.10 0.17 0.00 1.17 0.00 0.00 0.00 175.10 176.54 3cys n LYS 133 N 0.61 0.00 -2.86 2.72 4.81 -0.87 -4.74 118.16 117.84 3cys n LYS 133 Ca 0.02 0.10 -0.12 0.00 -0.87 0.00 0.00 58.31 57.44 3cys n LYS 133 Cb 0.49 -0.47 0.04 0.00 0.02 0.00 0.00 35.03 35.11 3cys n LYS 133 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3cys n GLU 134 N -1.33 1.07 -1.09 1.64 1.02 -1.25 -4.90 120.64 115.80 3cys n GLU 134 Ca 0.00 -2.69 0.01 0.00 -0.02 0.00 0.00 57.16 54.46 3cys n GLU 134 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.05 0.80 0.37 0.62 0.00 -1.20 -4.88 105.19 100.96 3cys n GLY 135 Ca 0.11 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 0.52 1.26 -0.55 1.61 2.86 -1.90 -0.39 114.93 118.34 3cys h MET 136 Ca -0.19 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.32 3cys h MET 136 Cb 1.63 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 32.98 3cys h MET 136 CO 0.01 0.83 0.13 -0.97 1.06 0.00 0.00 176.91 177.98 3cys h ASN 137 N 1.30 0.79 -0.29 1.22 -0.00 -1.98 0.18 115.58 116.79 3cys h ASN 137 Ca 0.35 -0.14 -0.17 0.00 -0.00 0.00 0.00 56.30 56.34 3cys h ASN 137 Cb -0.14 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 37.97 3cys h ASN 137 CO -0.08 0.78 -0.47 0.40 -0.00 0.00 0.00 177.43 178.06 3cys h ILE 138 N 0.81 1.28 -0.21 2.57 1.08 -1.69 0.14 117.51 121.50 3cys h ILE 138 Ca 0.18 -1.66 -0.04 0.00 -0.39 0.00 0.00 64.86 62.95 3cys h ILE 138 Cb 0.30 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 3cys h ILE 138 CO -0.00 0.54 -0.02 0.58 -0.69 0.00 0.00 178.15 178.55 3cys h VAL 139 N 0.61 1.27 -0.53 1.67 2.07 -0.77 -2.46 116.25 118.11 3cys h VAL 139 Ca 0.02 -0.96 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 3cys h VAL 139 Cb 1.07 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3cys h VAL 139 CO 0.11 0.29 -0.14 -0.08 0.02 0.00 0.00 177.57 177.77 3cys h GLU 140 N 0.13 1.01 -0.60 1.57 4.81 -0.60 -2.18 114.58 118.72 3cys h GLU 140 Ca 0.06 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 3cys h GLU 140 Cb 0.45 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3cys h GLU 140 CO 0.02 1.07 0.40 0.00 -0.73 0.00 0.00 179.01 179.76 3cys h ALA 141 N 0.94 1.72 0.00 2.92 0.00 -0.69 -0.92 119.26 123.23 3cys h ALA 141 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3cys h ALA 141 Cb 0.70 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3cys h ALA 141 CO 0.05 0.20 -0.06 1.98 0.00 0.00 0.00 179.25 181.43 3cys h MET 142 N 0.67 0.00 0.00 0.00 1.85 -0.90 -0.74 114.93 115.81 3cys h MET 142 Ca 0.25 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.33 3cys h MET 142 Cb 0.14 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.17 3cys h MET 142 CO -0.07 0.06 -0.05 0.93 -0.40 0.00 0.00 176.91 177.38 3cys h GLU 143 N 0.00 0.00 0.00 0.39 5.08 -1.15 -2.47 114.58 116.43 3cys h GLU 143 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3cys h GLU 143 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3cys h GLU 143 CO 0.01 0.05 -0.07 0.07 -1.00 0.00 0.00 179.01 178.06 3cys h ARG 144 N 0.00 0.00 0.00 2.33 0.11 -1.22 -1.01 114.38 114.59 3cys h ARG 144 Ca -0.00 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 3cys h ARG 144 Cb 0.49 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 3cys h ARG 144 CO 0.01 0.07 -1.10 0.74 0.10 0.00 0.00 179.97 179.79 3cys h PHE 145 N 0.00 0.00 -3.62 4.08 0.04 -1.60 -3.47 116.94 112.38 3cys h PHE 145 Ca -0.00 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.32 3cys h PHE 145 Cb 0.31 0.00 0.18 0.00 2.20 0.00 0.00 35.95 38.65 3cys h PHE 145 CO 0.00 0.58 0.11 0.20 -0.60 0.00 0.00 178.31 178.60 3cys s GLY 146 N -4.68 1.56 0.00 -1.45 0.00 -0.38 -3.21 107.32 99.16 3cys s GLY 146 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3cys s GLY 146 CO 0.79 0.45 0.00 1.44 0.00 0.00 0.00 173.10 175.78 3cys n SER 147 N -4.51 0.00 0.00 1.64 7.64 -1.26 -4.88 113.62 112.25 3cys n SER 147 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3cys n SER 147 Cb 0.56 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 3cys n SER 147 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3cys n ARG 148 N -1.40 0.00 0.12 1.43 0.63 -1.26 -4.72 116.66 111.46 3cys n ARG 148 Ca 0.00 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.03 3cys n ARG 148 Cb 0.00 0.00 0.48 0.00 0.45 0.00 0.00 32.46 33.39 3cys n ARG 148 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3cys n ASN 149 N -1.65 0.53 0.00 6.15 0.23 -1.26 -4.84 115.26 114.42 3cys n ASN 149 Ca 0.00 0.68 0.00 0.00 -0.53 0.00 0.00 54.58 54.73 3cys n ASN 149 Cb 0.00 -0.77 0.00 0.00 -2.08 0.00 0.00 39.78 36.93 3cys n ASN 149 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cys n GLY 150 N -0.64 3.07 2.83 4.83 0.00 -1.26 -4.86 105.19 109.16 3cys n GLY 150 Ca 0.01 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 3cys n GLY 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 151 N 0.00 3.29 0.00 1.61 3.00 -1.26 0.72 118.16 125.51 3cys n LYS 151 Ca 0.00 -3.84 0.00 0.00 -0.00 0.00 0.00 58.31 54.47 3cys n LYS 151 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 35.03 32.73 3cys n LYS 151 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3cys n THR 152 N -0.45 0.00 -1.45 3.15 -2.24 -1.26 -4.23 114.28 107.80 3cys n THR 152 Ca 0.51 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 62.31 3cys n THR 152 Cb 0.28 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3cys n THR 152 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cys n SER 153 N -3.53 0.73 0.00 3.42 3.41 -1.20 -4.81 113.62 111.65 3cys n SER 153 Ca 0.00 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 3cys n SER 153 Cb 0.00 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.39 0.00 -3.66 4.33 5.02 -1.26 -5.17 118.16 117.02 3cys n LYS 154 Ca 0.04 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.21 3cys n LYS 154 Cb 0.62 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.55 3cys n LYS 154 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3cys s LYS 155 N 2.94 0.70 -0.38 1.97 2.20 -1.26 -5.06 119.74 120.85 3cys s LYS 155 Ca 0.00 0.94 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 3cys s LYS 155 Cb 0.00 0.28 0.11 0.00 -1.51 0.00 0.00 37.83 36.71 3cys s LYS 155 CO 0.00 -0.11 0.13 0.42 -0.36 0.00 0.00 175.35 175.43 3cys s ILE 156 N 0.68 1.79 -0.04 5.43 -1.09 -1.26 -3.37 121.20 123.34 3cys s ILE 156 Ca -0.03 -2.28 0.01 0.00 -2.23 0.00 0.00 60.65 56.13 3cys s ILE 156 Cb -0.05 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 3cys s ILE 156 CO -0.04 -0.70 -0.03 0.42 -1.23 0.00 0.00 174.94 173.35 3cys s THR 157 N 0.82 3.96 -0.24 2.92 -4.23 -0.53 -3.39 115.64 114.94 3cys s THR 157 Ca 0.13 -0.52 -0.29 0.00 -1.18 0.00 0.00 61.69 59.83 3cys s THR 157 Cb -0.21 -2.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.93 3cys s THR 157 CO -0.10 0.50 1.42 -0.63 -0.54 0.00 0.00 174.62 175.27 3cys s ILE 158 N -0.94 3.98 -0.05 2.99 1.01 -1.26 -1.17 121.20 125.76 3cys s ILE 158 Ca 0.15 1.12 -0.06 0.00 0.00 0.00 0.00 60.65 61.87 3cys s ILE 158 Cb -0.11 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 3cys s ILE 158 CO 0.05 -0.34 0.29 0.00 0.00 0.00 0.00 174.94 174.94 3cys h ALA 159 N 9.63 -0.26 -2.95 9.38 0.00 -1.81 -3.43 119.26 129.82 3cys h ALA 159 Ca -0.29 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3cys h ALA 159 Cb 1.12 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 3cys h ALA 159 CO 1.01 -0.25 0.15 -0.51 0.00 0.00 0.00 179.25 179.65 3cys s ASP 160 N -4.67 -0.35 0.01 0.00 1.01 -1.25 -4.98 116.67 106.43 3cys s ASP 160 Ca -0.03 -0.38 -0.15 0.00 0.71 0.00 0.00 52.55 52.71 3cys s ASP 160 Cb 0.00 0.63 0.02 0.00 1.01 0.00 0.00 42.92 44.59 3cys s ASP 160 CO 0.09 -1.12 0.32 0.00 0.21 0.00 0.00 175.17 174.67 3cys s GLY 162 N -1.66 -0.38 0.10 0.00 0.00 -1.20 -4.92 107.32 99.25 3cys s GLY 162 Ca -0.10 0.68 -0.14 0.00 0.00 0.00 0.00 44.72 45.17 3cys s GLY 162 CO 0.01 0.13 0.49 1.62 0.00 0.00 0.00 173.10 175.35 3cys s GLN 163 N -2.55 3.93 -1.40 2.90 0.74 -1.26 -1.47 119.66 120.55 3cys s GLN 163 Ca 0.13 0.42 -0.08 0.00 0.05 0.00 0.00 55.36 55.88 3cys s GLN 163 Cb 0.04 -3.03 0.07 0.00 1.10 0.00 0.00 33.01 31.19 3cys s GLN 163 CO -0.03 0.55 2.40 1.28 -0.55 0.00 0.00 175.29 178.94 3cys n LEU 164 N 1.09 7.81 -0.02 3.68 4.77 -0.39 -4.88 117.00 129.05 3cys n LEU 164 Ca -0.08 -4.63 0.16 0.00 -0.03 0.00 0.00 56.01 51.43 3cys n LEU 164 Cb 0.52 -1.47 0.93 0.00 -2.33 0.00 0.00 43.42 41.08 3cys n LEU 164 CO 0.41 1.82 1.10 -1.84 -1.33 0.00 0.00 177.39 177.55