#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 -0.04 -2.90 1.12 3.14 -1.26 -4.53 118.33 113.86 3cys n VAL 2 Ca 0.00 0.38 -0.42 0.00 -2.96 0.00 0.00 64.34 61.33 3cys n VAL 2 Cb 0.00 -0.73 -0.05 0.00 -1.06 0.00 0.00 33.84 32.00 3cys n VAL 2 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3cys s ASN 3 N -6.09 6.58 0.55 6.55 0.01 -1.26 -4.58 114.94 116.70 3cys s ASN 3 Ca 0.00 0.38 -0.17 0.00 -0.71 0.00 0.00 52.86 52.36 3cys s ASN 3 Cb 0.00 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 3cys s ASN 3 CO 0.00 -0.80 1.04 -2.16 -1.51 0.00 0.00 177.10 173.67 3cys s PRO 4 N 3.27 3.52 -0.05 -0.60 0.04 -1.26 -4.85 135.00 135.08 3cys s PRO 4 Ca 0.34 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.62 3cys s PRO 4 Cb -0.13 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3cys s PRO 4 CO 0.18 -0.65 -0.07 0.99 0.04 0.00 0.00 177.00 177.50 3cys s THR 5 N -2.33 0.73 0.39 1.26 2.01 -1.26 -1.81 115.64 114.63 3cys s THR 5 Ca 0.64 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.49 3cys s THR 5 Cb -0.16 -0.72 -0.07 0.00 0.01 0.00 0.00 72.50 71.56 3cys s THR 5 CO 0.31 0.27 -0.01 0.68 -0.69 0.00 0.00 174.62 175.19 3cys s VAL 6 N 0.88 2.13 0.00 3.82 -7.23 -0.57 -0.33 120.40 119.11 3cys s VAL 6 Ca -0.11 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 57.94 3cys s VAL 6 Cb -0.15 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3cys s VAL 6 CO 0.01 -0.07 0.17 0.72 -0.31 0.00 0.00 175.10 175.62 3cys s PHE 7 N -2.66 0.01 -0.01 2.82 -0.71 -1.21 -1.59 117.98 114.63 3cys s PHE 7 Ca 0.35 -0.09 -0.04 0.00 -1.04 0.00 0.00 56.93 56.11 3cys s PHE 7 Cb 0.07 -0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.85 3cys s PHE 7 CO 0.18 -0.32 0.08 -0.06 -1.34 0.00 0.00 175.22 173.76 3cys s PHE 8 N -1.51 0.01 -0.20 3.49 0.08 -0.15 -3.35 117.98 116.35 3cys s PHE 8 Ca -0.14 -0.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 3cys s PHE 8 Cb -0.07 -0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.33 3cys s PHE 8 CO 0.01 -0.14 -0.02 0.16 -0.10 0.00 0.00 175.22 175.13 3cys s ASP 9 N -0.65 4.61 -0.01 1.36 1.47 -1.24 -1.03 116.67 121.17 3cys s ASP 9 Ca -0.07 -0.27 -0.17 0.00 1.18 0.00 0.00 52.55 53.22 3cys s ASP 9 Cb -0.04 -1.78 -0.06 0.00 -0.34 0.00 0.00 42.92 40.70 3cys s ASP 9 CO 0.00 0.05 0.49 -0.63 0.68 0.00 0.00 175.17 175.76 3cys s ILE 10 N 1.09 4.98 -0.12 2.11 1.09 -0.82 -1.41 121.20 128.11 3cys s ILE 10 Ca 0.02 1.01 0.01 0.00 -1.10 0.00 0.00 60.65 60.58 3cys s ILE 10 Cb -0.14 -3.81 0.02 0.00 -1.06 0.00 0.00 42.46 37.47 3cys s ILE 10 CO 0.01 0.49 -0.13 0.00 -0.10 0.00 0.00 174.94 175.22 3cys s ALA 11 N -0.57 1.64 -0.62 9.38 0.00 0.77 -0.83 121.76 131.53 3cys s ALA 11 Ca 0.26 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.38 3cys s ALA 11 Cb -0.17 -0.94 0.16 0.00 0.00 0.00 0.00 23.12 22.17 3cys s ALA 11 CO 0.14 -0.29 0.52 0.08 0.00 0.00 0.00 175.76 176.22 3cys s VAL 12 N 1.38 4.76 -0.32 0.00 1.01 0.17 -1.28 120.40 126.11 3cys s VAL 12 Ca 0.01 -2.14 -0.15 0.00 0.00 0.00 0.00 61.98 59.71 3cys s VAL 12 Cb -0.13 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.22 3cys s VAL 12 CO -0.07 -0.89 0.36 0.47 0.00 0.00 0.00 175.10 174.97 3cys n ASP 13 N 4.45 -7.10 -4.16 3.32 9.92 -0.43 -3.08 116.55 119.47 3cys n ASP 13 Ca 0.00 0.56 -0.34 0.00 -0.53 0.00 0.00 54.79 54.48 3cys n ASP 13 Cb 0.42 -3.72 -0.03 0.00 -0.64 0.00 0.00 41.12 37.16 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 0.28 -0.39 3.37 0.44 0.00 -1.26 -4.92 105.19 102.70 3cys n GLY 14 Ca 0.02 0.14 -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 -6.86 0.43 -0.28 1.61 2.12 -1.18 -5.12 118.70 109.42 3cys s GLU 15 Ca 0.57 1.04 -0.29 0.00 0.36 0.00 0.00 54.97 56.65 3cys s GLU 15 Cb -0.31 0.26 -0.00 0.00 0.26 0.00 0.00 34.13 34.34 3cys s GLU 15 CO 0.92 -0.20 1.34 -1.25 -0.54 0.00 0.00 175.26 175.53 3cys s PRO 16 N 2.12 3.92 0.01 4.30 0.04 -1.26 0.45 135.00 144.57 3cys s PRO 16 Ca -0.06 1.32 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 3cys s PRO 16 Cb -0.10 -3.89 -0.35 0.00 0.04 0.00 0.00 34.50 30.20 3cys s PRO 16 CO -0.15 -1.12 0.95 1.25 0.04 0.00 0.00 177.00 177.97 3cys h LEU 17 N 10.92 0.75 0.00 -3.56 5.85 -1.35 -3.48 115.31 124.44 3cys h LEU 17 Ca -0.27 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 57.52 3cys h LEU 17 Cb 1.10 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3cys h LEU 17 CO 1.03 1.65 0.00 0.61 -0.34 0.00 0.00 178.44 181.39 3cys n GLY 18 N 1.72 -1.04 3.06 3.75 0.00 -1.24 -5.03 105.19 106.42 3cys n GLY 18 Ca -0.17 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.58 3cys n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cys s ARG 19 N -1.54 0.79 0.09 1.61 3.52 -1.26 -1.94 118.95 120.22 3cys s ARG 19 Ca 0.00 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.17 3cys s ARG 19 Cb 0.00 -0.75 -0.03 0.00 -1.56 0.00 0.00 34.95 32.61 3cys s ARG 19 CO 0.00 0.20 -0.14 0.08 -0.81 0.00 0.00 175.30 174.62 3cys s VAL 20 N -0.50 1.24 0.05 7.11 1.01 -0.20 -4.67 120.40 124.44 3cys s VAL 20 Ca 0.02 -1.50 0.04 0.00 0.00 0.00 0.00 61.98 60.53 3cys s VAL 20 Cb -0.05 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3cys s VAL 20 CO 0.00 -0.30 -0.11 -0.44 0.00 0.00 0.00 175.10 174.24 3cys s SER 21 N -2.07 1.33 0.02 3.32 0.01 -1.20 -0.98 113.70 114.14 3cys s SER 21 Ca 0.03 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.77 3cys s SER 21 Cb -0.08 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3cys s SER 21 CO 0.03 -0.09 -0.05 -0.36 0.41 0.00 0.00 173.24 173.17 3cys s PHE 22 N -1.18 0.41 -0.08 2.43 0.08 -0.62 -4.19 117.98 114.83 3cys s PHE 22 Ca -0.04 -0.34 0.03 0.00 0.12 0.00 0.00 56.93 56.70 3cys s PHE 22 Cb -0.09 -0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.08 3cys s PHE 22 CO 0.01 -0.08 -0.17 -1.21 -0.10 0.00 0.00 175.22 173.67 3cys s GLU 23 N -0.98 2.84 0.12 0.44 2.02 -1.22 -1.51 118.70 120.41 3cys s GLU 23 Ca -0.07 -0.76 0.04 0.00 0.02 0.00 0.00 54.97 54.19 3cys s GLU 23 Cb -0.07 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 3cys s GLU 23 CO -0.00 0.39 0.13 -0.51 0.02 0.00 0.00 175.26 175.29 3cys s LEU 24 N -0.15 3.90 -0.90 1.80 2.01 -0.75 -2.00 118.68 122.58 3cys s LEU 24 Ca -0.02 -0.02 -0.09 0.00 0.01 0.00 0.00 54.13 54.02 3cys s LEU 24 Cb -0.14 -2.54 0.23 0.00 0.01 0.00 0.00 46.19 43.76 3cys s LEU 24 CO 0.04 0.12 0.83 -0.36 1.01 0.00 0.00 176.35 177.99 3cys s PHE 25 N -1.57 3.90 0.09 0.29 0.08 0.32 -4.10 117.98 116.98 3cys s PHE 25 Ca 0.31 -2.51 0.21 0.00 0.12 0.00 0.00 56.93 55.05 3cys s PHE 25 Cb -0.11 -3.63 0.70 0.00 -0.57 0.00 0.00 43.02 39.41 3cys s PHE 25 CO 0.24 -0.91 1.74 0.00 -0.10 0.00 0.00 175.22 176.18 3cys h ALA 26 N 6.99 0.96 -0.71 5.36 0.00 -1.81 0.95 119.26 131.00 3cys h ALA 26 Ca 0.12 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3cys h ALA 26 Cb 0.93 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 3cys h ALA 26 CO 0.85 0.38 0.44 0.22 0.00 0.00 0.00 179.25 181.14 3cys h ASP 27 N 0.00 0.72 0.10 0.00 3.58 -1.88 -2.33 116.42 116.62 3cys h ASP 27 Ca -0.00 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.08 3cys h ASP 27 Cb 0.89 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 3cys h ASP 27 CO 0.04 0.50 -2.17 0.29 -2.88 0.00 0.00 179.24 175.02 3cys n LYS 28 N -4.67 0.71 -3.66 0.28 4.01 -1.14 -4.72 118.16 108.97 3cys n LYS 28 Ca 0.08 0.21 -0.29 0.00 -0.51 0.00 0.00 58.31 57.80 3cys n LYS 28 Cb 0.10 -1.64 -0.12 0.00 -0.51 0.00 0.00 35.03 32.86 3cys n LYS 28 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3cys s VAL 29 N -2.54 1.41 -0.07 -0.18 1.01 0.32 -4.99 120.40 115.35 3cys s VAL 29 Ca -0.25 -2.90 -0.16 0.00 0.00 0.00 0.00 61.98 58.67 3cys s VAL 29 Cb 0.08 -1.96 -0.12 0.00 0.00 0.00 0.00 36.38 34.37 3cys s VAL 29 CO 0.72 -1.00 0.62 1.55 0.00 0.00 0.00 175.10 176.98 3cys h PRO 30 N 6.21 -0.21 -0.28 2.72 0.13 -1.62 -2.48 132.00 136.47 3cys h PRO 30 Ca 0.09 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.17 3cys h PRO 30 Cb 0.89 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 3cys h PRO 30 CO 0.50 0.13 -0.12 -0.22 -0.23 0.00 0.00 178.00 178.06 3cys h LYS 31 N -0.97 0.47 -0.00 0.86 3.64 -1.94 0.34 116.57 118.96 3cys h LYS 31 Ca -0.02 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.07 3cys h LYS 31 Cb 0.44 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3cys h LYS 31 CO 0.04 0.59 -0.75 1.15 -2.27 0.00 0.00 179.45 178.20 3cys h THR 32 N 0.43 1.53 0.02 1.00 2.02 -1.97 -1.63 112.91 114.32 3cys h THR 32 Ca 0.08 -2.55 -0.21 0.00 0.77 0.00 0.00 66.41 64.51 3cys h THR 32 Cb 0.47 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 3cys h THR 32 CO 0.03 0.73 -0.94 0.00 0.37 0.00 0.00 175.52 175.70 3cys h ALA 33 N 1.24 0.45 0.10 6.16 0.00 -0.80 -3.13 119.26 123.28 3cys h ALA 33 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 3cys h ALA 33 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3cys h ALA 33 CO 0.10 1.02 -0.05 1.49 0.00 0.00 0.00 179.25 181.81 3cys h GLU 34 N 0.06 -0.13 -0.85 0.00 4.57 -0.13 0.29 114.58 118.39 3cys h GLU 34 Ca -0.04 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.26 3cys h GLU 34 Cb 1.62 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 30.17 3cys h GLU 34 CO 0.14 0.23 0.55 -0.91 -1.18 0.00 0.00 179.01 177.84 3cys h ASN 35 N -0.51 0.71 -0.10 1.04 2.35 -1.41 0.28 115.58 117.94 3cys h ASN 35 Ca -0.01 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3cys h ASN 35 Cb 0.42 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3cys h ASN 35 CO 0.02 0.40 -0.37 0.15 -1.65 0.00 0.00 177.43 175.98 3cys h PHE 36 N 0.77 0.58 -0.93 1.19 3.04 -1.45 -3.15 116.94 116.99 3cys h PHE 36 Ca 0.40 -0.24 0.05 0.00 3.98 0.00 0.00 57.97 62.17 3cys h PHE 36 Cb 0.51 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.86 3cys h PHE 36 CO -0.00 0.98 0.61 -0.09 -2.02 0.00 0.00 178.31 177.79 3cys h ARG 37 N 0.01 1.08 -0.85 1.11 2.43 0.78 -2.24 114.38 116.69 3cys h ARG 37 Ca -0.02 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3cys h ARG 37 Cb 1.01 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 30.26 3cys h ARG 37 CO 0.08 0.71 0.53 0.00 -1.51 0.00 0.00 179.97 179.78 3cys h ALA 38 N 1.48 1.16 -0.59 2.80 0.00 -0.46 -2.00 119.26 121.66 3cys h ALA 38 Ca 0.39 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.39 3cys h ALA 38 Cb 0.13 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 3cys h ALA 38 CO -0.14 0.30 0.14 -0.07 0.00 0.00 0.00 179.25 179.48 3cys h LEU 39 N 0.99 0.03 -2.32 0.00 3.38 -1.38 0.69 115.31 116.70 3cys h LEU 39 Ca 0.36 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.44 3cys h LEU 39 Cb 0.13 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3cys h LEU 39 CO -0.16 0.03 -0.01 -1.28 0.09 0.00 0.00 178.44 177.11 3cys h SER 40 N 0.27 0.00 -0.76 -0.43 0.87 -1.41 -1.84 113.55 110.25 3cys h SER 40 Ca 0.30 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.47 3cys h SER 40 Cb 0.44 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 61.99 3cys h SER 40 CO -0.38 0.01 -1.00 1.07 -0.53 0.00 0.00 176.83 176.00 3cys n THR 41 N -4.02 1.72 -2.19 2.23 5.66 0.26 -4.59 114.28 113.36 3cys n THR 41 Ca -0.03 -3.58 -0.41 0.00 -3.05 0.00 0.00 64.05 56.98 3cys n THR 41 Cb 0.09 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 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 -0.52 4.97 2.63 1.09 0.00 0.22 -4.78 105.19 108.79 3cys n GLY 42 Ca 0.22 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 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 2.88 1.44 0.00 1.61 0.28 -1.26 0.38 120.64 125.97 3cys n GLU 43 Ca 0.50 -1.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.42 3cys n GLU 43 Cb 0.31 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 30.96 3cys n GLU 43 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3cys n LYS 44 N 4.09 0.00 -2.45 3.44 4.81 -1.26 -4.97 118.16 121.82 3cys n LYS 44 Ca 0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.73 3cys n LYS 44 Cb 0.15 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.28 3cys n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cys n GLY 45 N 0.00 1.73 4.74 3.14 0.00 -0.64 -5.09 105.19 109.07 3cys n GLY 45 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.97 -1.82 -3.23 1.61 1.16 0.16 -4.80 117.46 109.57 3cys n PHE 46 Ca -0.11 0.24 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 3cys n PHE 46 Cb 0.85 -0.38 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 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 -0.68 2.73 2.37 4.97 0.00 -1.20 -3.87 105.19 109.50 3cys n GLY 47 Ca 0.00 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3cys n GLY 47 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cys n TYR 48 N 0.00 2.51 -3.40 1.61 4.01 -1.26 -4.83 117.16 115.80 3cys n TYR 48 Ca 0.00 -3.05 -0.44 0.00 -0.16 0.00 0.00 57.90 54.25 3cys n TYR 48 Cb 0.00 -2.48 -0.06 0.00 -0.31 0.00 0.00 39.34 36.49 3cys n TYR 48 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3cys s LYS 49 N 2.33 2.92 0.00 -0.72 2.47 -1.26 -4.36 119.74 121.11 3cys s LYS 49 Ca 0.67 -1.87 0.00 0.00 -1.56 0.00 0.00 55.97 53.21 3cys s LYS 49 Cb 0.17 -4.19 0.00 0.00 -1.46 0.00 0.00 37.83 32.35 3cys s LYS 49 CO -0.06 -1.28 0.00 0.41 0.16 0.00 0.00 175.35 174.58 3cys n GLY 50 N 4.90 2.87 5.19 5.54 0.00 -0.84 -4.95 105.19 117.90 3cys n GLY 50 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 2.03 0.00 0.00 1.61 7.64 -1.26 -0.53 113.62 123.11 3cys n SER 51 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3cys n SER 51 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3cys n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys n PHE 53 N -1.58 -1.62 0.21 0.00 1.16 -1.12 -4.10 117.46 110.42 3cys n PHE 53 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 57.45 55.37 3cys n PHE 53 Cb 0.00 -1.64 0.00 0.00 -1.61 0.00 0.00 39.48 36.23 3cys n PHE 53 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 3cys n HIS 54 N -5.06 -4.47 -2.73 2.97 -0.00 -1.26 -4.64 115.22 100.02 3cys n HIS 54 Ca 0.03 1.45 -0.06 0.00 0.46 0.00 0.00 57.72 59.59 3cys n HIS 54 Cb 0.55 3.62 0.05 0.00 -0.12 0.00 0.00 29.99 34.09 3cys n HIS 54 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 3cys n ARG 55 N -3.37 0.57 -3.17 1.57 0.63 -1.25 -4.74 116.66 106.90 3cys n ARG 55 Ca 0.00 -1.55 -0.39 0.00 -0.92 0.00 0.00 57.85 54.99 3cys n ARG 55 Cb 0.00 -1.15 -0.06 0.00 0.45 0.00 0.00 32.46 31.70 3cys n ARG 55 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3cys s ILE 56 N 0.65 5.09 -0.05 5.15 1.01 0.12 -4.66 121.20 128.51 3cys s ILE 56 Ca 0.30 1.18 -0.01 0.00 0.00 0.00 0.00 60.65 62.12 3cys s ILE 56 Cb 0.17 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.74 3cys s ILE 56 CO -0.17 0.22 0.00 -0.63 0.00 0.00 0.00 174.94 174.37 3cys s ILE 57 N 1.17 0.28 -0.14 2.92 1.01 -1.19 -3.71 121.20 121.54 3cys s ILE 57 Ca 0.30 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.79 3cys s ILE 57 Cb -0.16 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 3cys s ILE 57 CO 0.12 0.22 1.27 -2.16 0.00 0.00 0.00 174.94 174.39 3cys s PRO 58 N 1.64 4.25 0.00 2.79 0.04 -1.25 -2.91 135.00 139.56 3cys s PRO 58 Ca -0.01 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3cys s PRO 58 Cb -0.13 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.67 3cys s PRO 58 CO -0.03 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.74 3cys n GLY 59 N 3.60 1.05 2.11 0.56 0.00 -1.26 -4.94 105.19 106.31 3cys n GLY 59 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.30 -3.55 -3.70 1.61 7.35 -1.19 -4.97 117.46 111.71 3cys n PHE 60 Ca 0.00 0.78 -0.08 0.00 -0.76 0.00 0.00 57.45 57.39 3cys n PHE 60 Cb 0.21 2.19 -0.02 0.00 0.35 0.00 0.00 39.48 42.21 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 -1.46 1.47 -0.07 -4.13 0.23 -1.15 -1.27 119.30 112.92 3cys s MET 61 Ca 0.00 -0.74 -0.06 0.00 -1.03 0.00 0.00 55.69 53.86 3cys s MET 61 Cb 0.00 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.87 3cys s MET 61 CO 0.00 -0.66 0.19 0.00 -2.03 0.00 0.00 175.02 172.52 3cys n GLN 63 N 3.15 0.00 0.00 0.00 0.00 -1.26 -0.57 117.38 118.70 3cys n GLN 63 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.86 3cys n GLN 63 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 3cys n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cys n GLY 64 N 0.00 4.22 0.00 1.69 0.00 -1.26 -4.56 105.19 105.28 3cys n GLY 64 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.62 3.03 -0.02 0.00 -1.26 -4.72 105.19 102.84 3cys n GLY 65 Ca 0.00 -2.32 -0.11 0.00 0.00 0.00 0.00 46.02 43.59 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 0.00 -7.17 -3.35 1.61 8.00 -1.26 -4.73 116.55 109.66 3cys n ASP 66 Ca 0.00 0.61 -0.24 0.00 0.71 0.00 0.00 54.79 55.87 3cys n ASP 66 Cb 0.00 -3.79 -0.09 0.00 -0.02 0.00 0.00 41.12 37.21 3cys n ASP 66 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3cys s PHE 67 N -1.76 0.56 0.00 1.24 -0.71 -1.26 -4.74 117.98 111.30 3cys s PHE 67 Ca 0.16 -1.80 0.00 0.00 -1.04 0.00 0.00 56.93 54.25 3cys s PHE 67 Cb -0.03 -0.73 0.00 0.00 -1.21 0.00 0.00 43.02 41.05 3cys s PHE 67 CO 0.65 -0.89 0.00 -2.37 -1.34 0.00 0.00 175.22 171.27 3cys n THR 68 N 3.33 0.00 -0.10 -4.49 5.66 -1.26 -4.94 114.28 112.47 3cys n THR 68 Ca 0.22 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.04 3cys n THR 68 Cb 0.46 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.11 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 -2.17 0.67 -3.41 1.09 3.00 -1.26 -5.01 116.66 109.58 3cys n ARG 69 Ca 0.00 0.16 -0.19 0.00 -0.00 0.00 0.00 57.85 57.82 3cys n ARG 69 Cb 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 32.46 30.98 3cys n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3cys n HIS 70 N -3.26 -2.34 -2.73 -0.14 8.25 -1.26 -4.94 115.22 108.80 3cys n HIS 70 Ca -0.42 0.89 -0.07 0.00 -0.26 0.00 0.00 57.72 57.86 3cys n HIS 70 Cb 1.01 -4.74 0.06 0.00 1.12 0.00 0.00 29.99 27.45 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 -2.76 -2.45 0.00 0.41 5.15 -1.26 -5.00 115.26 109.35 3cys n ASN 71 Ca -0.12 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 3cys n ASN 71 Cb 0.60 1.61 0.00 0.00 -0.53 0.00 0.00 39.78 41.46 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cys n GLY 72 N 1.40 2.27 0.79 8.20 0.00 -1.26 -4.71 105.19 111.88 3cys n GLY 72 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3cys n GLY 72 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cys n THR 73 N 0.00 0.00 0.00 2.61 5.66 -1.26 -5.06 114.28 116.23 3cys n THR 73 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3cys n THR 73 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3cys n THR 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cys n GLY 74 N -1.25 2.12 3.72 1.09 0.00 -1.26 -4.08 105.19 105.53 3cys n GLY 74 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 3cys n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cys s GLY 75 N 0.00 -0.13 0.00 -0.02 0.00 -1.26 -4.92 107.32 100.98 3cys s GLY 75 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 3cys s GLY 75 CO 0.00 -0.11 0.00 0.28 0.00 0.00 0.00 173.10 173.27 3cys n LYS 76 N -0.42 0.00 -0.81 2.90 5.02 -1.26 -4.23 118.16 119.36 3cys n LYS 76 Ca -0.07 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.93 3cys n LYS 76 Cb 0.61 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.82 3cys n LYS 76 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3cys s SER 77 N 1.92 2.15 0.00 4.39 0.01 -0.57 -4.60 113.70 117.00 3cys s SER 77 Ca 0.00 1.61 0.30 0.00 1.31 0.00 0.00 55.95 59.16 3cys s SER 77 Cb 0.00 -2.27 1.40 0.00 0.21 0.00 0.00 66.02 65.36 3cys s SER 77 CO 0.00 -3.48 1.94 2.30 0.41 0.00 0.00 173.24 174.41 3cys n ILE 78 N -4.45 0.00 1.07 1.44 -0.00 -1.26 -1.92 119.36 114.24 3cys n ILE 78 Ca 0.06 -0.14 0.12 0.00 -0.00 0.00 0.00 62.75 62.79 3cys n ILE 78 Cb 0.54 0.06 0.15 0.00 -0.00 0.00 0.00 39.64 40.39 3cys n ILE 78 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3cys n TYR 79 N -0.38 0.00 0.00 4.28 4.01 -1.26 -4.91 117.16 118.90 3cys n TYR 79 Ca 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 3cys n TYR 79 Cb 0.25 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.44 0.64 4.94 2.72 0.00 -1.11 -4.81 105.19 109.02 3cys n GLY 80 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3cys n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 81 N 0.00 0.00 -4.31 1.61 2.13 -0.81 -4.80 120.64 114.46 3cys n GLU 81 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 3cys n GLU 81 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 3cys n GLU 81 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3cys s LYS 82 N 0.00 1.41 0.20 5.31 1.02 -1.26 -1.51 119.74 124.90 3cys s LYS 82 Ca 0.00 -1.77 -0.21 0.00 0.02 0.00 0.00 55.97 54.02 3cys s LYS 82 Cb 0.00 -0.23 0.07 0.00 -0.52 0.00 0.00 37.83 37.16 3cys s LYS 82 CO 0.00 -0.31 0.99 1.97 -0.92 0.00 0.00 175.35 177.08 3cys n PHE 83 N -0.46 -1.42 -0.59 3.18 -1.74 -1.26 -4.63 117.46 110.55 3cys n PHE 83 Ca 0.00 -1.29 -0.29 0.00 -0.56 0.00 0.00 57.45 55.31 3cys n PHE 83 Cb 0.66 0.63 0.22 0.00 1.52 0.00 0.00 39.48 42.51 3cys n PHE 83 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 3cys s GLU 84 N -2.05 -0.19 0.54 3.97 2.02 -1.26 -3.58 118.70 118.14 3cys s GLU 84 Ca 0.22 1.14 0.04 0.00 0.02 0.00 0.00 54.97 56.40 3cys s GLU 84 Cb -0.03 -1.62 0.05 0.00 0.10 0.00 0.00 34.13 32.63 3cys s GLU 84 CO 0.06 -3.32 0.74 -0.51 0.02 0.00 0.00 175.26 172.25 3cys s ASP 85 N -2.55 5.24 -0.02 -0.19 1.11 -1.26 -4.81 116.67 114.19 3cys s ASP 85 Ca 0.68 -0.29 -0.05 0.00 0.18 0.00 0.00 52.55 53.06 3cys s ASP 85 Cb -0.24 -0.54 -0.02 0.00 1.07 0.00 0.00 42.92 43.20 3cys s ASP 85 CO 0.62 -1.15 -0.10 1.21 1.18 0.00 0.00 175.17 176.93 3cys n GLU 86 N -2.25 0.15 -3.60 8.23 4.07 -1.26 -5.07 120.64 120.90 3cys n GLU 86 Ca 0.10 0.06 -0.00 0.00 -0.06 0.00 0.00 57.16 57.26 3cys n GLU 86 Cb 0.60 -0.65 -0.01 0.00 -0.06 0.00 0.00 31.44 31.32 3cys n GLU 86 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3cys s ASN 87 N -5.41 -0.05 -0.44 4.31 4.22 -1.26 -5.05 114.94 111.26 3cys s ASN 87 Ca -0.08 -0.05 0.05 0.00 -2.14 0.00 0.00 52.86 50.64 3cys s ASN 87 Cb 0.01 0.09 0.43 0.00 1.28 0.00 0.00 41.25 43.07 3cys s ASN 87 CO 0.12 -0.16 1.30 0.49 -2.04 0.00 0.00 177.10 176.81 3cys n PHE 88 N -0.31 3.11 -0.08 1.54 3.72 -1.26 -4.74 117.46 119.44 3cys n PHE 88 Ca -0.04 -2.69 -0.11 0.00 -0.05 0.00 0.00 57.45 54.55 3cys n PHE 88 Cb 0.61 -0.40 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 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 2.24 1.26 -4.33 4.37 2.04 -1.96 -3.44 117.51 117.70 3cys h ILE 89 Ca 0.38 -0.95 -0.51 0.00 1.00 0.00 0.00 64.86 64.78 3cys h ILE 89 Cb 1.06 1.39 0.08 0.00 -0.74 0.00 0.00 36.82 38.62 3cys h ILE 89 CO 0.93 0.30 0.38 -0.76 0.00 0.00 0.00 178.15 179.00 3cys s LEU 90 N -9.44 3.19 0.53 1.44 1.02 -1.26 -5.06 118.68 109.09 3cys s LEU 90 Ca -0.14 1.60 0.01 0.00 0.02 0.00 0.00 54.13 55.62 3cys s LEU 90 Cb 0.07 -4.49 0.00 0.00 0.02 0.00 0.00 46.19 41.79 3cys s LEU 90 CO 0.75 -1.30 0.04 -0.54 0.02 0.00 0.00 176.35 175.32 3cys s LYS 91 N -4.97 2.23 -0.73 1.70 -0.14 -1.26 -4.72 119.74 111.86 3cys s LYS 91 Ca 0.58 -2.41 -0.05 0.00 -1.36 0.00 0.00 55.97 52.73 3cys s LYS 91 Cb -0.14 -1.57 0.19 0.00 -1.68 0.00 0.00 37.83 34.63 3cys s LYS 91 CO 0.53 -0.44 0.58 -1.01 -0.76 0.00 0.00 175.35 174.25 3cys s HIS 92 N -2.89 3.57 -0.36 3.18 3.76 -1.26 -4.88 115.29 116.41 3cys s HIS 92 Ca 0.04 -2.64 0.27 0.00 -0.15 0.00 0.00 55.06 52.58 3cys s HIS 92 Cb -0.00 -3.34 0.86 0.00 1.11 0.00 0.00 32.58 31.21 3cys s HIS 92 CO 0.03 -0.85 1.77 1.79 -0.85 0.00 0.00 174.74 176.63 3cys h THR 93 N 4.92 0.00 0.00 1.30 1.35 -1.96 -3.43 112.91 115.08 3cys h THR 93 Ca 0.05 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3cys h THR 93 Cb 0.94 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3cys h THR 93 CO 0.75 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 3cys n GLY 94 N 0.64 0.20 3.82 5.82 0.00 -1.26 -4.96 105.19 109.44 3cys n GLY 94 Ca 0.03 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 3.03 0.00 1.61 0.04 -1.25 -3.89 135.00 132.54 3cys s PRO 95 Ca 0.00 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.03 3cys s PRO 95 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3cys s PRO 95 CO 0.00 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.42 3cys n GLY 96 N -1.83 0.51 3.51 0.56 0.00 -1.18 -4.91 105.19 101.86 3cys n GLY 96 Ca 0.08 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 3.88 -0.74 -0.61 -1.09 -1.24 -1.33 121.20 118.08 3cys s ILE 97 Ca 0.00 -0.37 -0.18 0.00 -2.23 0.00 0.00 60.65 57.87 3cys s ILE 97 Cb 0.00 -2.69 0.13 0.00 -1.58 0.00 0.00 42.46 38.32 3cys s ILE 97 CO 0.00 0.51 0.86 -0.22 -1.23 0.00 0.00 174.94 174.86 3cys s LEU 98 N 0.18 5.48 0.22 2.97 0.20 -1.02 -2.74 118.68 123.96 3cys s LEU 98 Ca -0.02 -1.81 0.06 0.00 0.69 0.00 0.00 54.13 53.05 3cys s LEU 98 Cb -0.14 -2.32 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 3cys s LEU 98 CO 0.03 -1.03 0.22 -0.55 -0.29 0.00 0.00 176.35 174.74 3cys s SER 99 N 3.36 5.76 -0.12 3.68 0.15 -0.76 -3.54 113.70 122.23 3cys s SER 99 Ca 0.19 -0.12 -0.03 0.00 0.70 0.00 0.00 55.95 56.70 3cys s SER 99 Cb -0.16 -1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 62.57 3cys s SER 99 CO -0.01 -0.01 -0.03 -0.04 1.20 0.00 0.00 173.24 174.36 3cys s MET 100 N -3.63 3.35 0.53 5.44 -1.94 0.19 -0.02 119.30 123.21 3cys s MET 100 Ca 0.33 -0.48 -0.19 0.00 -1.71 0.00 0.00 55.69 53.63 3cys s MET 100 Cb -0.09 -2.85 -0.07 0.00 2.01 0.00 0.00 34.83 33.84 3cys s MET 100 CO 0.26 0.44 1.08 0.00 -0.01 0.00 0.00 175.02 176.79 3cys s ALA 101 N -0.18 2.77 -0.22 3.03 0.00 -1.25 -3.37 121.76 122.54 3cys s ALA 101 Ca 0.04 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 3cys s ALA 101 Cb -0.13 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.75 3cys s ALA 101 CO 0.02 -0.59 0.56 1.21 0.00 0.00 0.00 175.76 176.96 3cys s ASN 102 N -1.98 -0.64 -0.15 0.00 3.84 -1.26 -3.61 114.94 111.13 3cys s ASN 102 Ca 0.69 1.16 0.16 0.00 0.21 0.00 0.00 52.86 55.08 3cys s ASN 102 Cb -0.20 1.12 0.33 0.00 -0.55 0.00 0.00 41.25 41.95 3cys s ASN 102 CO 0.25 -0.20 1.17 0.00 -2.79 0.00 0.00 177.10 175.53 3cys n ALA 103 N 3.31 2.68 0.00 1.71 0.00 -1.26 -5.00 120.51 121.96 3cys n ALA 103 Ca -0.16 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.47 3cys n ALA 103 Cb 0.56 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.31 0.85 3.69 0.00 0.00 -1.26 -4.95 105.19 102.21 3cys n GLY 104 Ca 0.17 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.43 4.35 -1.08 1.61 0.04 -1.26 -3.27 135.00 133.96 3cys s PRO 105 Ca 0.00 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 3cys s PRO 105 Cb 0.00 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3cys s PRO 105 CO 0.00 -0.45 0.92 0.09 0.04 0.00 0.00 177.00 177.59 3cys n ASN 106 N 5.19 -3.61 0.00 6.66 3.02 -1.26 -4.90 115.26 120.36 3cys n ASN 106 Ca 0.11 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3cys n ASN 106 Cb 0.46 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 3cys n ASN 106 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3cys n THR 107 N -4.07 0.32 -2.13 3.41 -2.24 -1.20 -3.98 114.28 104.38 3cys n THR 107 Ca -0.14 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.85 3cys n THR 107 Cb 0.60 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 3cys n THR 107 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3cys s ASN 108 N -0.32 5.33 0.61 3.42 2.20 -1.25 -4.24 114.94 120.69 3cys s ASN 108 Ca 0.00 -1.01 -0.18 0.00 -0.94 0.00 0.00 52.86 50.73 3cys s ASN 108 Cb 0.00 -2.57 -0.03 0.00 -2.00 0.00 0.00 41.25 36.66 3cys s ASN 108 CO 0.00 -2.61 1.16 -0.83 -2.94 0.00 0.00 177.10 171.87 3cys s GLY 109 N 7.26 2.53 0.54 0.45 0.00 -1.24 -4.29 107.32 112.58 3cys s GLY 109 Ca 0.66 0.83 0.29 0.00 0.00 0.00 0.00 44.72 46.51 3cys s GLY 109 CO 0.01 1.20 1.93 1.76 0.00 0.00 0.00 173.10 178.00 3cys h SER 110 N 0.67 0.00 -3.95 1.64 0.02 -1.90 -3.41 113.55 106.62 3cys h SER 110 Ca -0.49 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.91 3cys h SER 110 Cb 1.27 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.93 3cys h SER 110 CO 0.55 0.00 0.73 0.00 -1.14 0.00 0.00 176.83 176.97 3cys n GLN 111 N -4.27 2.39 -2.36 3.45 1.13 -1.26 -4.91 117.38 111.55 3cys n GLN 111 Ca 0.15 0.85 -0.04 0.00 -1.94 0.00 0.00 57.00 56.02 3cys n GLN 111 Cb 0.82 -2.65 -0.01 0.00 0.11 0.00 0.00 30.24 28.51 3cys n GLN 111 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 3cys n PHE 112 N -0.00 0.06 -3.67 1.08 -1.74 -1.26 -3.83 117.46 108.09 3cys n PHE 112 Ca 0.04 -0.38 -0.13 0.00 -0.56 0.00 0.00 57.45 56.42 3cys n PHE 112 Cb 0.41 -0.01 -0.08 0.00 1.52 0.00 0.00 39.48 41.31 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 -1.64 -0.67 -1.02 2.97 0.40 0.97 -4.40 117.98 114.57 3cys s PHE 113 Ca 0.02 1.61 -0.17 0.00 -0.60 0.00 0.00 56.93 57.78 3cys s PHE 113 Cb 0.00 0.25 0.14 0.00 0.51 0.00 0.00 43.02 43.92 3cys s PHE 113 CO 0.02 -0.33 1.25 0.42 0.70 0.00 0.00 175.22 177.28 3cys s ILE 114 N 0.45 4.76 -0.22 0.64 1.01 0.27 -1.84 121.20 126.27 3cys s ILE 114 Ca -0.01 -1.85 -0.28 0.00 0.00 0.00 0.00 60.65 58.51 3cys s ILE 114 Cb -0.04 -4.84 -0.05 0.00 0.01 0.00 0.00 42.46 37.54 3cys s ILE 114 CO -0.01 -1.57 2.18 0.00 0.00 0.00 0.00 174.94 175.53 3cys n THR 116 N 7.67 3.14 -3.71 0.00 -1.04 -0.40 -3.11 114.28 116.84 3cys n THR 116 Ca 0.29 -4.18 0.03 0.00 -2.04 0.00 0.00 64.05 58.15 3cys n THR 116 Cb 0.45 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 3cys n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3cys s ALA 117 N -3.82 -2.49 -0.08 2.41 0.00 -1.25 -4.66 121.76 111.87 3cys s ALA 117 Ca 0.53 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 3cys s ALA 117 Cb 0.44 0.48 -0.07 0.00 0.00 0.00 0.00 23.12 23.97 3cys s ALA 117 CO -0.22 -1.09 2.03 0.21 0.00 0.00 0.00 175.76 176.69 3cys s LYS 118 N -2.12 3.73 -0.46 0.00 2.20 -1.26 -3.91 119.74 117.93 3cys s LYS 118 Ca 0.20 2.31 0.03 0.00 -0.36 0.00 0.00 55.97 58.15 3cys s LYS 118 Cb 0.05 -4.23 0.16 0.00 -1.51 0.00 0.00 37.83 32.30 3cys s LYS 118 CO -0.05 -1.41 0.32 0.95 -0.36 0.00 0.00 175.35 174.80 3cys s THR 119 N 5.96 0.94 -0.93 3.43 -4.23 -1.26 -4.94 115.64 114.61 3cys s THR 119 Ca 0.91 -2.75 0.24 0.00 -1.18 0.00 0.00 61.69 58.92 3cys s THR 119 Cb -0.37 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 3cys s THR 119 CO 0.38 -1.09 1.29 -1.84 -0.54 0.00 0.00 174.62 172.82 3cys n GLU 120 N 3.04 0.05 -0.04 3.99 0.28 -1.26 -3.41 120.64 123.29 3cys n GLU 120 Ca 0.21 0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.34 3cys n GLU 120 Cb 0.41 -1.52 0.39 0.00 1.43 0.00 0.00 31.44 32.15 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 -1.59 0.10 0.50 -1.84 2.14 -1.26 -2.81 117.44 112.67 3cys n TRP 121 Ca 0.05 -0.05 0.06 0.00 2.07 0.00 0.00 57.50 59.62 3cys n TRP 121 Cb 0.35 0.00 0.03 0.00 -0.81 0.00 0.00 31.31 30.88 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 0.50 1.73 0.10 5.67 4.77 -1.22 -4.70 117.00 123.85 3cys n LEU 122 Ca 0.17 -0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 55.11 3cys n LEU 122 Cb 0.41 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3cys n LEU 122 CO 0.15 0.33 0.72 -0.78 -1.33 0.00 0.00 177.39 176.48 3cys h ASP 123 N 1.93 -0.19 -2.15 -1.43 3.58 -1.62 -0.92 116.42 115.63 3cys h ASP 123 Ca 0.00 -0.13 -0.77 0.00 0.42 0.00 0.00 57.03 56.55 3cys h ASP 123 Cb 0.45 0.05 -0.29 0.00 1.72 0.00 0.00 39.33 41.26 3cys h ASP 123 CO 0.00 0.02 0.79 0.61 -2.88 0.00 0.00 179.24 177.78 3cys n GLY 124 N -0.71 5.92 1.51 -0.78 0.00 -1.26 -4.32 105.19 105.54 3cys n GLY 124 Ca -0.09 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.35 3cys n GLY 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3cys n LYS 125 N -0.23 0.00 -3.02 1.61 4.81 -1.18 -5.14 118.16 115.01 3cys n LYS 125 Ca 0.47 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.66 3cys n LYS 125 Cb 0.29 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.34 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3cys s HIS 126 N -1.92 3.42 -0.07 5.64 3.76 -0.36 -4.83 115.29 120.93 3cys s HIS 126 Ca 0.00 0.44 0.01 0.00 -0.15 0.00 0.00 55.06 55.36 3cys s HIS 126 Cb 0.00 -2.17 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 3cys s HIS 126 CO 0.00 -0.18 -0.06 0.08 -0.85 0.00 0.00 174.74 173.73 3cys s VAL 127 N -2.53 3.74 -0.08 -0.90 1.01 -1.22 -4.85 120.40 115.57 3cys s VAL 127 Ca 0.45 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3cys s VAL 127 Cb -0.10 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3cys s VAL 127 CO 0.39 0.60 -0.18 -0.69 0.00 0.00 0.00 175.10 175.22 3cys s VAL 128 N -0.81 2.65 0.00 2.92 1.01 -1.26 0.55 120.40 125.46 3cys s VAL 128 Ca 0.12 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.35 3cys s VAL 128 Cb -0.11 -2.04 0.14 0.00 0.00 0.00 0.00 36.38 34.37 3cys s VAL 128 CO 0.01 0.56 0.98 2.22 0.00 0.00 0.00 175.10 178.88 3cys n PHE 129 N 2.99 0.00 -3.61 5.22 -1.74 -1.23 -4.64 117.46 114.44 3cys n PHE 129 Ca -0.18 -0.38 -0.03 0.00 -0.56 0.00 0.00 57.45 56.30 3cys n PHE 129 Cb 0.52 0.20 -0.01 0.00 1.52 0.00 0.00 39.48 41.71 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 -1.18 -0.35 -0.08 4.97 0.00 -1.25 -0.52 107.32 108.91 3cys s GLY 130 Ca 0.11 0.99 -0.08 0.00 0.00 0.00 0.00 44.72 45.74 3cys s GLY 130 CO -0.05 0.29 0.22 1.25 0.00 0.00 0.00 173.10 174.81 3cys s LYS 131 N -2.70 0.26 0.02 2.90 2.20 -0.85 -2.43 119.74 119.13 3cys s LYS 131 Ca 0.10 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.71 3cys s LYS 131 Cb 0.01 0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.41 3cys s LYS 131 CO -0.04 -0.03 1.16 0.08 -0.36 0.00 0.00 175.35 176.16 3cys s VAL 132 N 0.09 4.24 -0.02 4.02 1.01 -0.44 -3.37 120.40 125.93 3cys s VAL 132 Ca -0.00 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 3cys s VAL 132 Cb -0.02 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 3cys s VAL 132 CO 0.00 0.09 -0.03 1.17 0.00 0.00 0.00 175.10 176.33 3cys n LYS 133 N 4.28 0.06 -4.07 2.72 4.81 -1.26 -4.92 118.16 119.78 3cys n LYS 133 Ca 0.09 0.19 -0.09 0.00 -0.87 0.00 0.00 58.31 57.62 3cys n LYS 133 Cb 0.47 -0.77 -0.11 0.00 0.02 0.00 0.00 35.03 34.64 3cys n LYS 133 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3cys s GLU 134 N -1.19 0.55 0.00 1.64 2.02 -1.26 -4.85 118.70 115.61 3cys s GLU 134 Ca -0.03 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 53.98 3cys s GLU 134 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.25 3cys s GLU 134 CO 0.04 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.68 3cys n GLY 135 N 0.75 0.67 0.18 -1.39 0.00 -1.26 -3.20 105.19 100.94 3cys n GLY 135 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3cys n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cys h MET 136 N 3.96 0.00 0.00 1.61 -0.00 -1.91 -1.02 114.93 117.57 3cys h MET 136 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.63 3cys h MET 136 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 3cys h MET 136 CO 0.00 0.00 -0.35 -2.95 -0.00 0.00 0.00 176.91 173.61 3cys h ASN 137 N 0.00 0.00 0.52 -0.10 7.08 -1.97 0.22 115.58 121.33 3cys h ASN 137 Ca 0.00 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.00 3cys h ASN 137 Cb 0.34 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.58 3cys h ASN 137 CO 0.00 0.35 -0.95 0.40 -2.08 0.00 0.00 177.43 175.15 3cys h ILE 138 N 0.00 1.47 -0.46 6.14 1.08 -1.54 -2.43 117.51 121.77 3cys h ILE 138 Ca -0.00 -2.64 -0.12 0.00 -0.39 0.00 0.00 64.86 61.70 3cys h ILE 138 Cb 0.86 2.53 -0.01 0.00 -3.07 0.00 0.00 36.82 37.12 3cys h ILE 138 CO 0.05 0.78 -0.18 0.58 -0.69 0.00 0.00 178.15 178.68 3cys h VAL 139 N 0.14 1.27 -0.73 1.67 2.07 -1.24 0.09 116.25 119.52 3cys h VAL 139 Ca -0.07 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.13 3cys h VAL 139 Cb 1.60 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 3cys h VAL 139 CO 0.15 0.46 0.48 -0.08 0.02 0.00 0.00 177.57 178.60 3cys h GLU 140 N 0.78 0.96 -0.77 1.57 4.57 -0.61 0.17 114.58 121.24 3cys h GLU 140 Ca 0.11 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3cys h GLU 140 Cb 0.75 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3cys h GLU 140 CO 0.06 0.64 0.28 0.00 -1.18 0.00 0.00 179.01 178.80 3cys h ALA 141 N 1.26 1.04 0.00 2.92 0.00 -1.16 0.03 119.26 123.35 3cys h ALA 141 Ca 0.27 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3cys h ALA 141 Cb -0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3cys h ALA 141 CO -0.06 0.66 -0.37 1.98 0.00 0.00 0.00 179.25 181.46 3cys h MET 142 N 1.13 0.00 -0.07 0.00 1.85 -0.18 -1.08 114.93 116.57 3cys h MET 142 Ca 0.25 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.25 3cys h MET 142 Cb 0.25 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.29 3cys h MET 142 CO -0.02 0.37 -0.33 1.49 -0.40 0.00 0.00 176.91 178.03 3cys h GLU 143 N 0.00 0.36 0.00 0.39 4.81 -0.03 -3.12 114.58 116.99 3cys h GLU 143 Ca -0.00 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3cys h GLU 143 Cb 0.69 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 3cys h GLU 143 CO 0.05 0.92 -0.11 -0.09 -0.73 0.00 0.00 179.01 179.05 3cys h ARG 144 N -0.13 0.00 0.00 1.92 9.65 -0.77 -1.07 114.38 123.99 3cys h ARG 144 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3cys h ARG 144 Cb 0.98 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3cys h ARG 144 CO 0.07 0.11 0.00 1.19 2.80 0.00 0.00 179.97 184.14 3cys n PHE 145 N -3.90 0.00 -0.03 2.20 3.01 -0.43 -4.74 117.46 113.57 3cys n PHE 145 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3cys n PHE 145 Cb 0.20 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 1.25 0.95 0.00 1.37 0.00 -0.40 -4.12 105.19 104.25 3cys n GLY 146 Ca 0.15 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 1.61 7.64 -1.23 -4.51 113.62 117.13 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 -0.46 0.00 0.30 1.43 0.63 -1.26 -4.29 116.66 113.00 3cys n ARG 148 Ca 0.00 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.11 3cys n ARG 148 Cb 0.00 0.00 0.88 0.00 0.45 0.00 0.00 32.46 33.79 3cys n ARG 148 CO 0.00 0.00 0.00 -2.95 -2.51 0.00 0.00 177.63 172.17 3cys h ASN 149 N 0.00 0.00 0.00 6.15 7.08 -1.99 -3.45 115.58 123.37 3cys h ASN 149 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3cys h ASN 149 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 3cys h ASN 149 CO 0.00 0.03 0.00 0.61 -2.08 0.00 0.00 177.43 175.99 3cys n GLY 150 N -0.51 3.89 3.90 9.14 0.00 -1.24 -4.96 105.19 115.40 3cys n GLY 150 Ca -0.01 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 2.21 0.54 1.61 1.02 -1.26 0.16 119.74 124.02 3cys s LYS 151 Ca 0.00 0.18 0.07 0.00 0.02 0.00 0.00 55.97 56.24 3cys s LYS 151 Cb 0.00 -1.98 0.07 0.00 -0.52 0.00 0.00 37.83 35.39 3cys s LYS 151 CO 0.00 -1.43 0.57 0.25 -0.92 0.00 0.00 175.35 173.82 3cys n THR 152 N -3.21 0.00 -0.72 2.17 -2.24 -1.26 -3.46 114.28 105.56 3cys n THR 152 Ca 0.08 -1.97 0.08 0.00 -2.27 0.00 0.00 64.05 59.96 3cys n THR 152 Cb 0.60 -0.28 0.38 0.00 -2.10 0.00 0.00 70.33 68.93 3cys n THR 152 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3cys n SER 153 N -2.08 5.22 0.00 3.42 7.64 -1.26 -4.96 113.62 121.60 3cys n SER 153 Ca 0.06 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.24 3cys n SER 153 Cb 0.59 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3cys n SER 153 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3cys n LYS 154 N 0.83 0.00 -3.91 1.43 2.85 -1.26 -5.13 118.16 112.97 3cys n LYS 154 Ca 0.26 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.22 3cys n LYS 154 Cb 1.05 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 35.28 3cys n LYS 154 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3cys s LYS 155 N 1.72 1.22 -0.30 -1.58 1.02 -1.26 -5.08 119.74 115.48 3cys s LYS 155 Ca 0.00 -1.49 -0.10 0.00 0.02 0.00 0.00 55.97 54.40 3cys s LYS 155 Cb 0.00 -2.70 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3cys s LYS 155 CO 0.00 -0.92 0.15 0.42 -0.92 0.00 0.00 175.35 174.08 3cys s ILE 156 N 1.21 4.63 0.05 2.17 1.01 -1.26 -1.31 121.20 127.70 3cys s ILE 156 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3cys s ILE 156 Cb -0.18 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3cys s ILE 156 CO -0.14 0.11 -0.05 0.42 0.00 0.00 0.00 174.94 175.28 3cys s THR 157 N 1.63 0.34 -0.12 2.92 -4.23 -0.41 -2.79 115.64 112.98 3cys s THR 157 Ca 0.05 -1.41 -0.22 0.00 -1.18 0.00 0.00 61.69 58.93 3cys s THR 157 Cb -0.17 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 3cys s THR 157 CO 0.06 -0.70 0.65 -0.63 -0.54 0.00 0.00 174.62 173.46 3cys s ILE 158 N -2.61 5.06 -0.02 2.99 1.01 0.32 -0.16 121.20 127.78 3cys s ILE 158 Ca -0.03 1.29 -0.23 0.00 0.00 0.00 0.00 60.65 61.68 3cys s ILE 158 Cb -0.02 -3.98 -0.17 0.00 0.01 0.00 0.00 42.46 38.31 3cys s ILE 158 CO -0.04 0.21 1.08 0.00 0.00 0.00 0.00 174.94 176.19 3cys h ALA 159 N 6.98 -0.24 -2.80 9.38 0.00 -1.54 -2.24 119.26 128.79 3cys h ALA 159 Ca -0.38 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 3cys h ALA 159 Cb 1.17 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 3cys h ALA 159 CO 0.77 -0.38 -0.28 -0.51 0.00 0.00 0.00 179.25 178.84 3cys s ASP 160 N -5.38 0.33 0.05 0.00 1.11 -1.26 -4.55 116.67 106.98 3cys s ASP 160 Ca -0.14 -1.24 -0.08 0.00 0.18 0.00 0.00 52.55 51.27 3cys s ASP 160 Cb 0.01 0.56 -0.00 0.00 1.07 0.00 0.00 42.92 44.56 3cys s ASP 160 CO 0.54 -1.11 0.17 0.00 1.18 0.00 0.00 175.17 175.95 3cys n GLY 162 N 0.48 0.94 2.91 0.00 0.00 -1.21 -5.06 105.19 103.25 3cys n GLY 162 Ca -0.18 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 3cys n GLY 162 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cys s GLN 163 N -2.01 0.16 -0.99 1.61 0.74 -1.26 -3.28 119.66 114.63 3cys s GLN 163 Ca 0.08 -0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.38 3cys s GLN 163 Cb -0.01 -0.13 0.32 0.00 1.10 0.00 0.00 33.01 34.29 3cys s GLN 163 CO 0.01 0.04 1.77 1.28 -0.55 0.00 0.00 175.29 177.84 3cys n LEU 164 N 2.94 7.16 -0.77 3.68 4.77 0.55 -4.99 117.00 130.34 3cys n LEU 164 Ca -0.13 -5.38 0.10 0.00 -0.03 0.00 0.00 56.01 50.56 3cys n LEU 164 Cb 0.59 -1.12 0.08 0.00 -2.33 0.00 0.00 43.42 40.64 3cys n LEU 164 CO 0.25 2.06 0.55 1.21 -1.33 0.00 0.00 177.39 180.14