#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 0.00 -3.90 2.03 0.24 -1.26 -4.32 118.33 111.12 3cys n VAL 2 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 3cys n VAL 2 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 3cys n VAL 2 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3cys s ASN 3 N -4.00 4.32 0.75 -1.34 -0.87 -1.26 -2.71 114.94 109.83 3cys s ASN 3 Ca 0.00 -2.45 -0.11 0.00 -1.57 0.00 0.00 52.86 48.73 3cys s ASN 3 Cb 0.00 -1.42 0.04 0.00 -0.02 0.00 0.00 41.25 39.84 3cys s ASN 3 CO 0.00 -0.32 1.08 -2.16 -2.57 0.00 0.00 177.10 173.13 3cys s PRO 4 N 0.51 2.50 0.10 -0.60 0.04 -1.26 -4.81 135.00 131.48 3cys s PRO 4 Ca 0.14 0.79 0.06 0.00 0.04 0.00 0.00 61.00 62.03 3cys s PRO 4 Cb -0.22 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3cys s PRO 4 CO -0.06 -1.37 -0.14 0.99 0.04 0.00 0.00 177.00 176.46 3cys s THR 5 N -3.10 1.23 -0.06 1.26 2.01 -1.24 -1.42 115.64 114.32 3cys s THR 5 Ca 0.59 -1.52 -0.08 0.00 0.31 0.00 0.00 61.69 60.99 3cys s THR 5 Cb -0.14 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.06 3cys s THR 5 CO 0.55 -0.32 0.21 0.54 -0.69 0.00 0.00 174.62 174.91 3cys s VAL 6 N -1.73 0.02 0.11 3.82 0.11 -0.39 -0.67 120.40 121.67 3cys s VAL 6 Ca 0.04 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.00 3cys s VAL 6 Cb -0.07 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 3cys s VAL 6 CO 0.03 -0.09 -0.11 0.72 -3.33 0.00 0.00 175.10 172.31 3cys s PHE 7 N -0.28 2.70 -0.09 1.54 -0.71 -1.26 -0.37 117.98 119.52 3cys s PHE 7 Ca -0.04 -0.18 -0.04 0.00 -1.04 0.00 0.00 56.93 55.64 3cys s PHE 7 Cb -0.03 -1.41 0.05 0.00 -1.21 0.00 0.00 43.02 40.42 3cys s PHE 7 CO 0.01 0.43 0.18 -0.06 -1.34 0.00 0.00 175.22 174.44 3cys s PHE 8 N -1.23 -0.23 -0.23 3.49 0.40 -1.26 -3.18 117.98 115.74 3cys s PHE 8 Ca 0.21 0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 57.09 3cys s PHE 8 Cb -0.11 -0.15 -0.05 0.00 0.51 0.00 0.00 43.02 43.22 3cys s PHE 8 CO 0.13 -0.25 0.15 0.34 0.70 0.00 0.00 175.22 176.29 3cys s ASP 9 N 1.91 6.14 0.01 1.36 -1.08 -0.56 -1.76 116.67 122.68 3cys s ASP 9 Ca -0.02 0.14 -0.07 0.00 -0.52 0.00 0.00 52.55 52.08 3cys s ASP 9 Cb -0.12 -2.10 -0.05 0.00 -1.46 0.00 0.00 42.92 39.19 3cys s ASP 9 CO -0.07 0.10 0.28 -0.63 0.52 0.00 0.00 175.17 175.37 3cys s ILE 10 N 0.85 5.28 -0.24 4.11 1.09 -1.00 -1.06 121.20 130.22 3cys s ILE 10 Ca 0.08 0.24 0.02 0.00 -1.10 0.00 0.00 60.65 59.88 3cys s ILE 10 Cb -0.13 -3.57 0.06 0.00 -1.06 0.00 0.00 42.46 37.76 3cys s ILE 10 CO 0.03 0.39 -0.09 0.00 -0.10 0.00 0.00 174.94 175.16 3cys s ALA 11 N -1.28 2.33 -0.58 9.38 0.00 0.62 -0.34 121.76 131.89 3cys s ALA 11 Ca 0.27 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 3cys s ALA 11 Cb -0.13 -1.50 0.14 0.00 0.00 0.00 0.00 23.12 21.62 3cys s ALA 11 CO 0.15 -1.14 0.55 0.08 0.00 0.00 0.00 175.76 175.40 3cys s VAL 12 N 1.22 5.21 -0.42 0.00 1.01 0.19 -1.72 120.40 125.89 3cys s VAL 12 Ca -0.07 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.15 3cys s VAL 12 Cb -0.19 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.85 3cys s VAL 12 CO -0.06 -0.92 0.58 0.47 0.00 0.00 0.00 175.10 175.18 3cys n ASP 13 N 5.23 -7.28 -4.25 3.32 8.00 0.37 -2.92 116.55 119.03 3cys n ASP 13 Ca -0.11 0.39 -0.36 0.00 0.71 0.00 0.00 54.79 55.43 3cys n ASP 13 Cb 0.41 -4.32 -0.04 0.00 -0.02 0.00 0.00 41.12 37.15 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 -0.19 -0.39 3.30 0.44 0.00 -1.26 -4.92 105.19 102.17 3cys n GLY 14 Ca 0.06 0.13 -0.09 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 -6.97 0.37 -0.23 1.61 2.12 -1.15 -5.13 118.70 109.34 3cys s GLU 15 Ca 0.62 0.97 -0.29 0.00 0.36 0.00 0.00 54.97 56.62 3cys s GLU 15 Cb -0.34 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 3cys s GLU 15 CO 0.94 -0.21 1.31 -1.25 -0.54 0.00 0.00 175.26 175.52 3cys s PRO 16 N 2.13 4.06 0.00 4.30 0.04 -1.26 0.56 135.00 144.83 3cys s PRO 16 Ca -0.05 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.28 3cys s PRO 16 Cb -0.10 -3.84 -0.27 0.00 0.04 0.00 0.00 34.50 30.33 3cys s PRO 16 CO -0.13 -0.94 1.05 1.25 0.04 0.00 0.00 177.00 178.27 3cys h LEU 17 N 10.40 0.60 0.00 -3.56 7.12 -1.06 -3.48 115.31 125.33 3cys h LEU 17 Ca -0.27 -0.82 0.00 0.00 0.13 0.00 0.00 57.88 56.92 3cys h LEU 17 Cb 1.11 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 3cys h LEU 17 CO 1.00 1.36 0.00 0.61 -0.13 0.00 0.00 178.44 181.28 3cys n GLY 18 N 1.28 0.63 3.83 3.75 0.00 -1.24 -4.98 105.19 108.46 3cys n GLY 18 Ca -0.12 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.00 3.90 -0.19 1.61 3.00 -1.26 -2.38 118.95 122.62 3cys s ARG 19 Ca 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 55.73 55.89 3cys s ARG 19 Cb 0.00 -3.24 -0.11 0.00 0.00 0.00 0.00 34.95 31.60 3cys s ARG 19 CO 0.00 0.64 -0.03 0.28 0.00 0.00 0.00 175.30 176.19 3cys n VAL 20 N 2.07 1.48 -0.73 3.52 0.31 -0.72 -4.49 118.33 119.77 3cys n VAL 20 Ca -0.14 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3cys n VAL 20 Cb 0.53 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 3cys n VAL 20 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3cys n SER 21 N -4.49 -2.92 -4.27 4.52 7.64 -1.26 -3.35 113.62 109.50 3cys n SER 21 Ca -0.23 0.18 -0.28 0.00 1.01 0.00 0.00 58.87 59.55 3cys n SER 21 Cb 0.52 -1.54 -0.15 0.00 -1.01 0.00 0.00 64.21 62.04 3cys n SER 21 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3cys s PHE 22 N -0.07 2.02 -0.09 1.43 0.08 0.50 -2.05 117.98 119.80 3cys s PHE 22 Ca 0.00 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 3cys s PHE 22 Cb 0.00 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3cys s PHE 22 CO 0.00 0.02 -0.04 -1.83 -0.10 0.00 0.00 175.22 173.27 3cys s GLU 23 N -0.81 2.98 0.16 0.44 -1.05 0.36 -1.27 118.70 119.51 3cys s GLU 23 Ca 0.09 -0.50 0.05 0.00 -0.15 0.00 0.00 54.97 54.46 3cys s GLU 23 Cb -0.09 -2.71 -0.04 0.00 -0.44 0.00 0.00 34.13 30.85 3cys s GLU 23 CO 0.00 0.60 0.10 -0.51 0.95 0.00 0.00 175.26 176.40 3cys s LEU 24 N -0.62 3.69 -0.81 1.83 1.43 -0.51 -0.99 118.68 122.70 3cys s LEU 24 Ca 0.10 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3cys s LEU 24 Cb -0.12 -2.32 0.34 0.00 0.03 0.00 0.00 46.19 44.13 3cys s LEU 24 CO 0.02 0.08 1.54 0.49 0.23 0.00 0.00 176.35 178.71 3cys n PHE 25 N -0.23 3.24 0.22 0.29 3.72 -0.46 -3.99 117.46 120.24 3cys n PHE 25 Ca -0.09 -2.98 0.14 0.00 -0.05 0.00 0.00 57.45 54.48 3cys n PHE 25 Cb 0.55 -0.88 0.78 0.00 -0.94 0.00 0.00 39.48 38.98 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 3.50 1.88 -0.87 4.37 0.00 -1.71 0.26 119.26 126.68 3cys h ALA 26 Ca 0.41 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.45 3cys h ALA 26 Cb 0.38 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 3cys h ALA 26 CO 1.09 -0.19 0.48 0.22 0.00 0.00 0.00 179.25 180.85 3cys h ASP 27 N 0.00 0.62 0.00 0.00 3.58 -1.70 -2.45 116.42 116.47 3cys h ASP 27 Ca 0.06 0.08 -0.37 0.00 0.42 0.00 0.00 57.03 57.22 3cys h ASP 27 Cb 0.30 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.25 3cys h ASP 27 CO -0.00 0.28 -2.40 0.29 -2.88 0.00 0.00 179.24 174.53 3cys n LYS 28 N -4.81 0.68 -3.47 0.28 5.02 0.35 -4.74 118.16 111.47 3cys n LYS 28 Ca 0.17 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.19 3cys n LYS 28 Cb 0.41 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.49 0.51 0.96 -0.18 -7.23 0.64 -5.03 120.40 107.57 3cys s VAL 29 Ca -0.13 -2.43 -0.14 0.00 -1.81 0.00 0.00 61.98 57.47 3cys s VAL 29 Cb 0.06 -1.37 0.17 0.00 0.56 0.00 0.00 36.38 35.80 3cys s VAL 29 CO 0.80 -1.12 1.16 -2.16 -0.31 0.00 0.00 175.10 173.48 3cys s PRO 30 N 0.32 0.77 0.00 4.82 0.04 -0.94 -3.19 135.00 136.83 3cys s PRO 30 Ca 0.26 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.45 3cys s PRO 30 Cb -0.08 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3cys s PRO 30 CO -0.11 -2.42 0.00 1.17 0.04 0.00 0.00 177.00 175.68 3cys n LYS 31 N -3.89 0.00 0.08 4.56 4.81 -1.26 -4.36 118.16 118.10 3cys n LYS 31 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 3cys n LYS 31 Cb 0.59 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.56 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 0.98 -0.67 3.15 2.02 -1.99 0.11 112.91 116.51 3cys h THR 32 Ca 0.00 -0.56 0.12 0.00 0.77 0.00 0.00 66.41 66.74 3cys h THR 32 Cb 0.00 1.33 -0.09 0.00 -1.74 0.00 0.00 68.15 67.66 3cys h THR 32 CO 0.00 0.13 0.22 0.00 0.37 0.00 0.00 175.52 176.25 3cys h ALA 33 N 0.35 0.87 -0.45 6.16 0.00 -1.74 -1.12 119.26 123.33 3cys h ALA 33 Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3cys h ALA 33 Cb 0.36 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3cys h ALA 33 CO 0.03 -0.24 0.20 1.49 0.00 0.00 0.00 179.25 180.73 3cys h GLU 34 N 0.37 0.66 -0.36 0.00 4.81 -1.80 -0.95 114.58 117.30 3cys h GLU 34 Ca 0.35 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 3cys h GLU 34 Cb 0.51 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.71 3cys h GLU 34 CO -0.38 0.58 -0.14 -0.97 -0.73 0.00 0.00 179.01 177.37 3cys h ASN 35 N 0.58 -0.50 -0.10 1.04 -0.73 0.47 0.27 115.58 116.60 3cys h ASN 35 Ca 0.15 0.13 -0.04 0.00 1.87 0.00 0.00 56.30 58.41 3cys h ASN 35 Cb 0.16 0.29 -0.00 0.00 0.27 0.00 0.00 38.32 39.03 3cys h ASN 35 CO -0.02 -0.18 -0.09 0.15 -0.37 0.00 0.00 177.43 176.93 3cys h PHE 36 N -0.08 0.29 -0.35 0.67 3.57 -1.23 -2.92 116.94 116.88 3cys h PHE 36 Ca 0.18 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3cys h PHE 36 Cb 0.35 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3cys h PHE 36 CO -0.37 0.65 0.10 -0.09 -2.23 0.00 0.00 178.31 176.36 3cys h ARG 37 N -0.16 0.51 -0.32 1.11 2.43 -0.73 -2.29 114.38 114.93 3cys h ARG 37 Ca 0.02 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 3cys h ARG 37 Cb 0.60 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3cys h ARG 37 CO 0.02 0.46 -0.40 0.00 -1.51 0.00 0.00 179.97 178.55 3cys h ALA 38 N 1.61 0.69 -0.34 2.80 0.00 -0.44 -2.95 119.26 120.63 3cys h ALA 38 Ca 0.12 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3cys h ALA 38 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3cys h ALA 38 CO -0.01 0.67 -0.05 -0.07 0.00 0.00 0.00 179.25 179.79 3cys h LEU 39 N 0.64 0.52 -2.19 0.00 3.38 -1.22 0.21 115.31 116.65 3cys h LEU 39 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3cys h LEU 39 Cb 0.95 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3cys h LEU 39 CO 0.09 0.63 -0.00 -1.28 0.09 0.00 0.00 178.44 177.96 3cys h SER 40 N 0.52 0.00 -0.66 -0.43 0.87 -1.34 -1.35 113.55 111.17 3cys h SER 40 Ca 0.10 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.19 3cys h SER 40 Cb 0.41 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.97 3cys h SER 40 CO 0.02 0.00 -0.85 1.07 -0.53 0.00 0.00 176.83 176.55 3cys n THR 41 N -4.24 2.31 -1.55 2.23 5.66 -0.06 -3.80 114.28 114.83 3cys n THR 41 Ca -0.03 -3.95 -0.40 0.00 -3.05 0.00 0.00 64.05 56.62 3cys n THR 41 Cb 0.09 -0.73 -0.02 0.00 -1.55 0.00 0.00 70.33 68.13 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 -0.71 4.48 0.00 1.09 0.00 0.54 -4.37 105.19 106.23 3cys n GLY 42 Ca 0.37 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.81 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 3.64 0.00 -0.34 1.61 0.28 -1.26 -2.67 120.64 121.90 3cys n GLU 43 Ca 0.70 0.25 0.15 0.00 -0.16 0.00 0.00 57.16 58.10 3cys n GLU 43 Cb 0.26 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 31.97 3cys n GLU 43 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3cys h LYS 44 N 0.00 0.60 0.00 3.44 1.57 -1.92 -3.43 116.57 116.83 3cys h LYS 44 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3cys h LYS 44 Cb 0.24 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3cys h LYS 44 CO 0.00 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 179.69 3cys n GLY 45 N -1.32 0.00 3.08 3.86 0.00 -1.19 -5.16 105.19 104.46 3cys n GLY 45 Ca 0.24 -0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 3cys n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cys s PHE 46 N -1.28 0.43 0.00 1.61 -0.12 -1.09 -5.12 117.98 112.41 3cys s PHE 46 Ca 0.00 -0.90 0.00 0.00 -0.05 0.00 0.00 56.93 55.98 3cys s PHE 46 Cb 0.00 -0.32 0.00 0.00 -0.63 0.00 0.00 43.02 42.07 3cys s PHE 46 CO 0.00 -0.36 0.00 0.41 -0.05 0.00 0.00 175.22 175.22 3cys n GLY 47 N 0.40 -0.04 0.00 1.99 0.00 -1.25 -4.15 105.19 102.14 3cys n GLY 47 Ca -0.16 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.20 0.00 -3.43 1.61 4.01 -1.24 -4.96 117.16 112.94 3cys n TYR 48 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 3cys n TYR 48 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3cys n TYR 48 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3cys n LYS 49 N -0.12 -1.67 -0.63 -0.72 3.00 -1.26 -3.66 118.16 113.10 3cys n LYS 49 Ca 0.00 1.34 0.00 0.00 -0.00 0.00 0.00 58.31 59.65 3cys n LYS 49 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.06 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 0.07 1.44 3.89 3.14 0.00 -1.21 -5.06 105.19 107.45 3cys n GLY 50 Ca -0.07 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 3cys n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cys s SER 51 N -2.30 5.95 1.00 1.61 1.04 -1.24 -4.85 113.70 114.91 3cys s SER 51 Ca 0.00 -0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 3cys s SER 51 Cb 0.00 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.47 3cys s SER 51 CO 0.00 -0.01 0.10 0.00 0.98 0.00 0.00 173.24 174.31 3cys s PHE 53 N -1.21 2.92 -0.01 0.00 5.36 -1.19 -4.73 117.98 119.12 3cys s PHE 53 Ca 0.06 -0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 55.87 3cys s PHE 53 Cb -0.00 -1.37 -0.02 0.00 -0.34 0.00 0.00 43.02 41.29 3cys s PHE 53 CO 0.04 0.54 0.44 1.25 -1.46 0.00 0.00 175.22 176.03 3cys h HIS 54 N 2.25 -0.12 -1.39 10.12 2.76 -1.82 -3.48 115.15 123.49 3cys h HIS 54 Ca -0.47 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 57.83 3cys h HIS 54 Cb 1.22 0.04 -0.25 0.00 1.55 0.00 0.00 27.41 29.97 3cys h HIS 54 CO 0.61 -0.07 0.69 -0.98 -1.30 0.00 0.00 177.93 176.88 3cys s ARG 55 N -2.13 0.41 -0.15 5.26 1.70 -1.25 -4.76 118.95 118.02 3cys s ARG 55 Ca -0.02 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.35 3cys s ARG 55 Cb 0.00 0.19 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3cys s ARG 55 CO 0.05 -0.13 -0.15 0.42 -1.08 0.00 0.00 175.30 174.42 3cys s ILE 56 N -1.05 1.63 -0.08 4.99 1.01 0.95 -3.95 121.20 124.70 3cys s ILE 56 Ca 0.02 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.04 3cys s ILE 56 Cb -0.01 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 3cys s ILE 56 CO -0.02 0.47 -0.23 -0.63 0.00 0.00 0.00 174.94 174.53 3cys s ILE 57 N 1.44 1.97 0.06 2.92 1.01 -1.25 -3.60 121.20 123.75 3cys s ILE 57 Ca 0.05 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3cys s ILE 57 Cb -0.13 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 3cys s ILE 57 CO -0.11 0.54 1.16 -2.16 0.00 0.00 0.00 174.94 174.38 3cys s PRO 58 N 0.21 4.46 -0.35 2.79 0.04 -1.26 -3.42 135.00 137.46 3cys s PRO 58 Ca -0.14 1.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.60 3cys s PRO 58 Cb -0.16 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.02 3cys s PRO 58 CO 0.07 -0.21 0.30 0.41 0.04 0.00 0.00 177.00 177.62 3cys n GLY 59 N 3.09 0.56 2.11 0.56 0.00 -1.26 -4.88 105.19 105.36 3cys n GLY 59 Ca 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.09 -3.37 -3.86 1.61 7.35 -1.23 -4.98 117.46 109.89 3cys n PHE 60 Ca -0.00 0.92 -0.01 0.00 -0.76 0.00 0.00 57.45 57.60 3cys n PHE 60 Cb 0.52 2.16 0.01 0.00 0.35 0.00 0.00 39.48 42.52 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 -1.82 0.98 -0.46 -4.13 0.23 -1.22 -3.57 119.30 109.31 3cys s MET 61 Ca 0.00 -0.61 0.08 0.00 -1.03 0.00 0.00 55.69 54.13 3cys s MET 61 Cb 0.00 0.28 0.29 0.00 -1.53 0.00 0.00 34.83 33.87 3cys s MET 61 CO 0.00 -0.46 0.67 0.00 -2.03 0.00 0.00 175.02 173.21 3cys s GLN 63 N -2.05 4.15 -0.01 0.00 -2.07 -1.25 -4.05 119.66 114.39 3cys s GLN 63 Ca 0.39 2.19 0.22 0.00 -1.82 0.00 0.00 55.36 56.34 3cys s GLN 63 Cb 0.22 -2.91 0.37 0.00 -1.09 0.00 0.00 33.01 29.61 3cys s GLN 63 CO -0.08 -0.35 1.15 0.41 -1.32 0.00 0.00 175.29 175.10 3cys n GLY 64 N 0.72 0.95 3.07 2.60 0.00 -1.24 -3.82 105.19 107.48 3cys n GLY 64 Ca 0.02 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3cys n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cys s GLY 65 N -1.90 2.32 -0.04 -0.02 0.00 -1.26 -4.61 107.32 101.81 3cys s GLY 65 Ca 0.29 -3.02 0.03 0.00 0.00 0.00 0.00 44.72 42.03 3cys s GLY 65 CO -0.14 1.06 -0.14 0.51 0.00 0.00 0.00 173.10 174.39 3cys s ASP 66 N 0.86 1.80 -0.17 1.64 1.47 -1.26 -4.44 116.67 116.57 3cys s ASP 66 Ca 0.14 -0.29 -0.04 0.00 1.18 0.00 0.00 52.55 53.53 3cys s ASP 66 Cb -0.22 -0.59 0.07 0.00 -0.34 0.00 0.00 42.92 41.84 3cys s ASP 66 CO -0.03 0.10 0.15 -0.36 0.68 0.00 0.00 175.17 175.70 3cys s PHE 67 N 0.26 -0.05 0.00 2.11 0.08 -1.26 -4.89 117.98 114.23 3cys s PHE 67 Ca -0.07 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.03 3cys s PHE 67 Cb -0.12 -0.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.84 3cys s PHE 67 CO 0.02 -0.50 0.00 -2.37 -0.10 0.00 0.00 175.22 172.27 3cys n THR 68 N 5.30 0.00 -3.40 0.64 5.66 -1.26 -1.46 114.28 119.77 3cys n THR 68 Ca -0.06 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.67 3cys n THR 68 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 3cys n THR 68 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3cys s ARG 69 N -0.36 0.77 -0.65 1.09 1.81 -1.26 -4.96 118.95 115.39 3cys s ARG 69 Ca 0.00 -1.77 -0.05 0.00 -1.72 0.00 0.00 55.73 52.19 3cys s ARG 69 Cb 0.00 -1.31 0.02 0.00 -0.45 0.00 0.00 34.95 33.21 3cys s ARG 69 CO 0.00 -1.32 2.83 0.72 -0.68 0.00 0.00 175.30 176.85 3cys n HIS 70 N 3.31 1.62 0.00 -0.53 8.25 -1.26 -3.40 115.22 123.21 3cys n HIS 70 Ca 0.23 -2.14 0.00 0.00 -0.26 0.00 0.00 57.72 55.55 3cys n HIS 70 Cb 0.44 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.97 3cys n HIS 70 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3cys n ASN 71 N 1.47 0.00 0.00 0.41 4.13 -1.26 -4.98 115.26 115.03 3cys n ASN 71 Ca 0.53 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.79 3cys n ASN 71 Cb 0.52 0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.99 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cys n GLY 72 N -0.08 -0.26 0.00 7.41 0.00 -1.23 -5.03 105.19 106.01 3cys n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cys n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cys n THR 73 N -2.49 0.00 -0.83 2.61 -1.04 -1.23 -5.06 114.28 106.24 3cys n THR 73 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3cys n THR 73 Cb 0.00 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 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 2.24 -3.56 0.00 3.41 0.00 -1.22 -4.28 105.19 101.78 3cys n GLY 74 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.83 2.08 3.34 -0.02 0.00 -0.53 -4.19 105.19 104.04 3cys n GLY 75 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 3cys n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cys s LYS 76 N 0.00 1.79 0.25 1.61 0.00 -1.26 -4.88 119.74 117.25 3cys s LYS 76 Ca 0.00 -2.05 0.01 0.00 0.00 0.00 0.00 55.97 53.93 3cys s LYS 76 Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 37.83 37.90 3cys s LYS 76 CO 0.00 -0.61 0.14 0.45 0.00 0.00 0.00 175.35 175.33 3cys s SER 77 N -3.42 0.87 0.39 0.03 0.15 0.01 -0.05 113.70 111.68 3cys s SER 77 Ca 0.37 -1.45 0.20 0.00 0.70 0.00 0.00 55.95 55.76 3cys s SER 77 Cb 0.02 0.33 0.69 0.00 -1.71 0.00 0.00 66.02 65.36 3cys s SER 77 CO 0.24 -0.84 1.73 0.16 1.20 0.00 0.00 173.24 175.74 3cys h ILE 78 N 2.43 0.74 -0.01 6.45 3.07 -1.95 -2.66 117.51 125.58 3cys h ILE 78 Ca -0.35 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 64.61 3cys h ILE 78 Cb 1.25 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 3cys h ILE 78 CO 0.54 0.32 -0.31 -1.22 -1.05 0.00 0.00 178.15 176.42 3cys n TYR 79 N -3.43 0.00 0.00 0.16 4.01 -1.26 -5.01 117.16 111.62 3cys n TYR 79 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3cys n TYR 79 Cb 0.51 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.37 -0.10 0.05 2.72 0.00 -1.00 -4.89 105.19 103.35 3cys n GLY 80 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3cys n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3cys n GLU 81 N 0.00 2.19 -3.77 1.61 0.28 -1.26 -0.81 120.64 118.88 3cys n GLU 81 Ca 0.00 -0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 3cys n GLU 81 Cb 0.00 -1.27 -0.01 0.00 1.43 0.00 0.00 31.44 31.59 3cys n GLU 81 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3cys s LYS 82 N -2.26 1.29 0.29 3.44 -2.85 -1.26 -3.45 119.74 114.94 3cys s LYS 82 Ca -0.06 -0.72 -0.08 0.00 -1.00 0.00 0.00 55.97 54.11 3cys s LYS 82 Cb 0.03 0.44 0.03 0.00 -2.06 0.00 0.00 37.83 36.27 3cys s LYS 82 CO 0.43 -0.59 0.52 1.97 0.10 0.00 0.00 175.35 177.78 3cys n PHE 83 N -0.48 -1.77 -0.36 1.78 -1.74 -1.17 -4.90 117.46 108.82 3cys n PHE 83 Ca -0.06 -1.51 -0.30 0.00 -0.56 0.00 0.00 57.45 55.02 3cys n PHE 83 Cb 0.60 0.61 0.28 0.00 1.52 0.00 0.00 39.48 42.50 3cys n PHE 83 CO 0.00 0.00 0.00 -1.83 -0.56 0.00 0.00 176.76 174.37 3cys s GLU 84 N -2.24 -2.52 -0.03 3.97 1.03 -1.26 -3.66 118.70 114.00 3cys s GLU 84 Ca 0.15 0.36 0.06 0.00 0.03 0.00 0.00 54.97 55.58 3cys s GLU 84 Cb -0.03 -1.41 -0.01 0.00 -0.80 0.00 0.00 34.13 31.88 3cys s GLU 84 CO 0.11 -4.66 -0.21 0.34 -1.33 0.00 0.00 175.26 169.51 3cys s ASP 85 N -2.88 2.55 0.00 0.83 2.15 -1.26 -4.80 116.67 113.26 3cys s ASP 85 Ca 0.68 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.26 3cys s ASP 85 Cb -0.17 -0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 3cys s ASP 85 CO 0.60 0.24 0.00 -1.84 -0.17 0.00 0.00 175.17 174.01 3cys n GLU 86 N 2.70 0.00 -3.93 4.34 0.00 -1.26 -4.99 120.64 117.50 3cys n GLU 86 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.91 3cys n GLU 86 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.91 3cys n GLU 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3cys s ASN 87 N -1.58 -0.11 -0.74 -1.84 4.22 -1.26 -5.05 114.94 108.58 3cys s ASN 87 Ca 0.00 -0.81 -0.01 0.00 -2.14 0.00 0.00 52.86 49.89 3cys s ASN 87 Cb 0.00 0.56 0.40 0.00 1.28 0.00 0.00 41.25 43.50 3cys s ASN 87 CO 0.00 -1.09 1.98 0.49 -2.04 0.00 0.00 177.10 176.44 3cys n PHE 88 N -0.35 3.11 -0.17 1.54 3.72 -1.26 -4.60 117.46 119.44 3cys n PHE 88 Ca -0.04 -2.68 -0.07 0.00 -0.05 0.00 0.00 57.45 54.61 3cys n PHE 88 Cb 0.62 -1.25 0.03 0.00 -0.94 0.00 0.00 39.48 37.93 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 1.56 1.12 -3.79 4.37 2.04 -1.97 -3.43 117.51 117.41 3cys h ILE 89 Ca 0.57 -0.23 -0.47 0.00 1.00 0.00 0.00 64.86 65.73 3cys h ILE 89 Cb 0.47 0.37 0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3cys h ILE 89 CO 1.47 0.12 0.22 -0.76 0.00 0.00 0.00 178.15 179.21 3cys s LEU 90 N -10.17 3.12 0.40 1.44 1.02 -1.26 -5.10 118.68 108.14 3cys s LEU 90 Ca -0.13 0.73 0.05 0.00 0.02 0.00 0.00 54.13 54.79 3cys s LEU 90 Cb 0.12 -3.52 -0.02 0.00 0.02 0.00 0.00 46.19 42.79 3cys s LEU 90 CO 0.74 -1.19 0.16 -0.54 0.02 0.00 0.00 176.35 175.55 3cys s LYS 91 N -5.08 1.93 -1.08 1.70 1.02 -1.26 -4.71 119.74 112.26 3cys s LYS 91 Ca 0.55 -2.18 -0.06 0.00 0.02 0.00 0.00 55.97 54.31 3cys s LYS 91 Cb -0.11 -0.42 0.29 0.00 -0.52 0.00 0.00 37.83 37.08 3cys s LYS 91 CO 0.46 -0.54 1.29 0.72 -0.92 0.00 0.00 175.35 176.36 3cys n HIS 92 N -0.89 3.68 -0.17 3.18 8.25 -1.26 -4.83 115.22 123.18 3cys n HIS 92 Ca -0.04 -3.25 0.10 0.00 -0.26 0.00 0.00 57.72 54.28 3cys n HIS 92 Cb 0.64 -1.44 0.41 0.00 1.12 0.00 0.00 29.99 30.73 3cys n HIS 92 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3cys h THR 93 N 3.53 0.93 0.00 1.59 1.35 -1.97 -3.41 112.91 114.94 3cys h THR 93 Ca 0.19 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3cys h THR 93 Cb 0.73 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 3cys h THR 93 CO 1.17 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 177.16 3cys n GLY 94 N -1.47 -0.65 3.81 5.82 0.00 -1.26 -4.92 105.19 106.51 3cys n GLY 94 Ca 0.12 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.47 3.32 0.00 1.61 0.04 -1.25 -3.91 135.00 133.34 3cys s PRO 95 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3cys s PRO 95 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3cys s PRO 95 CO 0.00 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.64 3cys n GLY 96 N -1.22 0.72 3.71 0.56 0.00 0.44 -4.91 105.19 104.50 3cys n GLY 96 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.02 5.37 -0.66 -0.61 1.09 -1.24 -0.25 121.20 122.88 3cys s ILE 97 Ca 0.00 0.28 -0.18 0.00 -1.10 0.00 0.00 60.65 59.65 3cys s ILE 97 Cb 0.00 -3.52 0.12 0.00 -1.06 0.00 0.00 42.46 38.00 3cys s ILE 97 CO 0.00 0.40 0.76 -0.22 -0.10 0.00 0.00 174.94 175.78 3cys s LEU 98 N 0.58 5.56 0.42 2.97 0.20 -0.33 -0.67 118.68 127.40 3cys s LEU 98 Ca 0.10 -1.69 0.05 0.00 0.69 0.00 0.00 54.13 53.28 3cys s LEU 98 Cb -0.12 -2.30 0.01 0.00 -0.43 0.00 0.00 46.19 43.35 3cys s LEU 98 CO 0.01 -1.03 0.59 -0.94 -0.29 0.00 0.00 176.35 174.69 3cys s SER 99 N 3.44 5.72 -0.25 3.68 1.04 0.43 -3.49 113.70 124.27 3cys s SER 99 Ca 0.15 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.45 3cys s SER 99 Cb -0.20 -1.03 0.06 0.00 0.10 0.00 0.00 66.02 64.94 3cys s SER 99 CO 0.02 -0.71 -0.10 -0.04 0.98 0.00 0.00 173.24 173.39 3cys s MET 100 N -4.40 2.14 0.69 4.02 -1.94 0.21 -0.72 119.30 119.29 3cys s MET 100 Ca 0.51 -1.23 -0.14 0.00 -1.71 0.00 0.00 55.69 53.12 3cys s MET 100 Cb -0.10 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 33.96 3cys s MET 100 CO 0.34 -0.55 1.11 0.00 -0.01 0.00 0.00 175.02 175.91 3cys s ALA 101 N 1.18 2.40 -0.05 3.03 0.00 -1.26 -3.19 121.76 123.86 3cys s ALA 101 Ca -0.07 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 3cys s ALA 101 Cb -0.19 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.67 3cys s ALA 101 CO -0.06 -1.42 0.62 0.54 0.00 0.00 0.00 175.76 175.45 3cys s ASN 102 N -2.68 -0.58 -0.21 0.00 2.20 -1.26 -4.70 114.94 107.71 3cys s ASN 102 Ca 0.66 0.65 0.15 0.00 -0.94 0.00 0.00 52.86 53.38 3cys s ASN 102 Cb -0.21 0.54 0.58 0.00 -2.00 0.00 0.00 41.25 40.17 3cys s ASN 102 CO 0.44 -0.56 1.49 0.00 -2.94 0.00 0.00 177.10 175.53 3cys n ALA 103 N 1.06 3.36 0.00 3.54 0.00 -1.25 -5.04 120.51 122.18 3cys n ALA 103 Ca -0.19 -2.37 0.00 0.00 0.00 0.00 0.00 53.44 50.88 3cys n ALA 103 Cb 0.57 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.44 -0.67 3.81 0.00 0.00 -1.26 -5.06 105.19 101.57 3cys n GLY 104 Ca 0.25 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 3.47 -1.34 1.61 0.04 -1.26 -3.57 135.00 131.95 3cys s PRO 105 Ca 0.00 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.23 3cys s PRO 105 Cb 0.00 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3cys s PRO 105 CO 0.00 -0.68 0.04 0.27 0.04 0.00 0.00 177.00 176.66 3cys n ASN 106 N -1.80 0.64 -3.47 6.66 0.23 -1.26 -4.87 115.26 111.39 3cys n ASN 106 Ca 0.09 -1.09 -0.28 0.00 -0.53 0.00 0.00 54.58 52.77 3cys n ASN 106 Cb 0.53 -1.35 -0.11 0.00 -2.08 0.00 0.00 39.78 36.76 3cys n ASN 106 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3cys s THR 107 N -4.09 0.48 -0.08 5.53 2.01 -1.23 -4.32 115.64 113.94 3cys s THR 107 Ca 0.05 -2.35 -0.25 0.00 0.31 0.00 0.00 61.69 59.45 3cys s THR 107 Cb -0.03 -1.34 0.06 0.00 0.01 0.00 0.00 72.50 71.19 3cys s THR 107 CO 0.85 -1.10 0.58 0.54 -0.69 0.00 0.00 174.62 174.80 3cys s ASN 108 N 0.41 -0.54 0.00 3.53 2.20 -1.26 -3.94 114.94 115.34 3cys s ASN 108 Ca 0.25 0.66 0.00 0.00 -0.94 0.00 0.00 52.86 52.84 3cys s ASN 108 Cb -0.09 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.78 3cys s ASN 108 CO -0.10 -0.49 0.00 0.61 -2.94 0.00 0.00 177.10 174.18 3cys n GLY 109 N 1.35 4.06 0.14 0.45 0.00 -1.26 -3.02 105.19 106.91 3cys n GLY 109 Ca -0.19 -0.36 -0.03 0.00 0.00 0.00 0.00 46.02 45.44 3cys n GLY 109 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cys h SER 110 N 0.00 0.08 -2.28 1.61 0.02 -0.79 -3.45 113.55 108.73 3cys h SER 110 Ca 0.00 -0.05 -0.62 0.00 -0.84 0.00 0.00 61.79 60.28 3cys h SER 110 Cb 0.00 -0.02 0.10 0.00 0.14 0.00 0.00 62.40 62.62 3cys h SER 110 CO 0.00 0.71 0.20 0.00 -1.14 0.00 0.00 176.83 176.60 3cys n GLN 111 N -3.78 1.31 -3.87 3.45 0.00 -1.26 -4.81 117.38 108.43 3cys n GLN 111 Ca -0.02 0.46 -0.09 0.00 0.00 0.00 0.00 57.00 57.36 3cys n GLN 111 Cb 0.65 -1.89 -0.07 0.00 0.00 0.00 0.00 30.24 28.93 3cys n GLN 111 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 3cys s PHE 112 N -0.69 0.16 -0.19 2.61 -0.12 -1.26 -4.52 117.98 113.98 3cys s PHE 112 Ca 0.64 -0.59 -0.04 0.00 -0.05 0.00 0.00 56.93 56.89 3cys s PHE 112 Cb -0.75 -0.07 0.06 0.00 -0.63 0.00 0.00 43.02 41.63 3cys s PHE 112 CO 0.56 -0.53 0.08 -0.06 -0.05 0.00 0.00 175.22 175.23 3cys s PHE 113 N -3.78 0.43 -0.39 3.49 0.40 0.10 -3.62 117.98 114.61 3cys s PHE 113 Ca 0.04 -0.51 -0.24 0.00 -0.60 0.00 0.00 56.93 55.62 3cys s PHE 113 Cb 0.05 -0.81 0.02 0.00 0.51 0.00 0.00 43.02 42.79 3cys s PHE 113 CO -0.11 -0.56 0.83 0.42 0.70 0.00 0.00 175.22 176.50 3cys s ILE 114 N 2.06 4.66 0.10 0.64 1.01 -1.26 -0.43 121.20 127.98 3cys s ILE 114 Ca 0.02 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 3cys s ILE 114 Cb -0.16 -4.28 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 3cys s ILE 114 CO -0.11 -0.55 1.08 0.00 0.00 0.00 0.00 174.94 175.36 3cys n THR 116 N 3.17 1.53 -3.78 0.00 -2.24 -1.23 -0.42 114.28 111.31 3cys n THR 116 Ca 0.05 -1.24 0.01 0.00 -2.27 0.00 0.00 64.05 60.60 3cys n THR 116 Cb 0.48 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.64 -2.23 0.17 6.98 0.00 -1.26 -4.72 121.76 119.05 3cys s ALA 117 Ca 0.39 0.34 -0.32 0.00 0.00 0.00 0.00 51.96 52.37 3cys s ALA 117 Cb 0.25 0.60 -0.11 0.00 0.00 0.00 0.00 23.12 23.86 3cys s ALA 117 CO 0.19 -1.09 1.73 0.21 0.00 0.00 0.00 175.76 176.80 3cys s LYS 118 N -2.29 4.15 -0.45 0.00 2.20 -1.26 -3.92 119.74 118.17 3cys s LYS 118 Ca 0.20 2.55 0.10 0.00 -0.36 0.00 0.00 55.97 58.46 3cys s LYS 118 Cb 0.02 -3.28 0.35 0.00 -1.51 0.00 0.00 37.83 33.41 3cys s LYS 118 CO -0.02 -0.76 0.83 0.25 -0.36 0.00 0.00 175.35 175.29 3cys n THR 119 N 4.27 1.10 0.71 3.43 -2.24 -1.26 -4.90 114.28 115.39 3cys n THR 119 Ca 0.16 -4.90 0.13 0.00 -2.27 0.00 0.00 64.05 57.17 3cys n THR 119 Cb 0.37 -0.66 0.47 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.06 0.18 0.00 -0.78 0.28 -1.26 -1.53 120.64 117.59 3cys n GLU 120 Ca 0.27 0.17 0.15 0.00 -0.16 0.00 0.00 57.16 57.58 3cys n GLU 120 Cb 0.57 -1.72 0.68 0.00 1.43 0.00 0.00 31.44 32.40 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 -2.04 0.00 -0.38 -1.84 2.14 -1.26 -2.79 117.44 111.27 3cys n TRP 121 Ca 0.06 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.66 3cys n TRP 121 Cb 0.39 -0.01 0.04 0.00 -0.81 0.00 0.00 31.31 30.92 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 -0.30 2.00 -0.05 5.67 4.77 -0.58 -4.77 117.00 123.73 3cys n LEU 122 Ca 0.20 -2.23 -0.13 0.00 -0.03 0.00 0.00 56.01 53.82 3cys n LEU 122 Cb 0.26 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 3cys n LEU 122 CO 0.17 0.54 0.60 -0.78 -1.33 0.00 0.00 177.39 176.59 3cys h ASP 123 N 0.00 0.39 -0.89 -1.43 3.58 -1.38 -2.76 116.42 113.93 3cys h ASP 123 Ca 0.00 -0.49 -0.55 0.00 0.42 0.00 0.00 57.03 56.41 3cys h ASP 123 Cb 0.68 -0.11 -0.26 0.00 1.72 0.00 0.00 39.33 41.36 3cys h ASP 123 CO 0.00 0.79 0.71 0.61 -2.88 0.00 0.00 179.24 178.47 3cys n GLY 124 N 0.21 5.02 1.58 -0.78 0.00 -1.26 -4.15 105.19 105.81 3cys n GLY 124 Ca -0.06 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.76 0.00 -3.79 1.61 5.02 -1.19 -5.12 118.16 113.93 3cys n LYS 125 Ca 0.55 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.63 3cys n LYS 125 Cb 0.98 -0.18 -0.03 0.00 -0.02 0.00 0.00 35.03 35.78 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cys s HIS 126 N -1.94 2.96 -0.04 2.13 3.76 -1.05 -4.89 115.29 116.22 3cys s HIS 126 Ca 0.00 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 3cys s HIS 126 Cb 0.00 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 3cys s HIS 126 CO 0.00 0.19 -0.03 0.08 -0.85 0.00 0.00 174.74 174.13 3cys s VAL 127 N -2.26 4.01 -0.19 -0.90 1.01 -1.19 -4.87 120.40 116.00 3cys s VAL 127 Ca 0.41 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 3cys s VAL 127 Cb -0.07 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 3cys s VAL 127 CO 0.27 0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 175.09 3cys s VAL 128 N -0.94 2.93 -0.02 2.92 1.01 -1.26 0.66 120.40 125.71 3cys s VAL 128 Ca 0.15 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3cys s VAL 128 Cb -0.11 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.02 3cys s VAL 128 CO 0.05 0.48 0.86 2.22 0.00 0.00 0.00 175.10 178.71 3cys n PHE 129 N 4.46 0.00 -3.62 5.22 -1.74 -1.23 -4.63 117.46 115.93 3cys n PHE 129 Ca -0.19 -0.36 -0.02 0.00 -0.56 0.00 0.00 57.45 56.32 3cys n PHE 129 Cb 0.51 -0.05 -0.01 0.00 1.52 0.00 0.00 39.48 41.45 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 -0.91 -0.36 0.25 4.97 0.00 -1.25 -1.35 107.32 108.67 3cys s GLY 130 Ca 0.04 0.96 -0.05 0.00 0.00 0.00 0.00 44.72 45.67 3cys s GLY 130 CO 0.00 0.26 0.32 -1.59 0.00 0.00 0.00 173.10 172.09 3cys s LYS 131 N -2.57 1.47 0.08 2.90 -2.85 -0.16 -1.19 119.74 117.42 3cys s LYS 131 Ca 0.12 -1.54 -0.30 0.00 -1.00 0.00 0.00 55.97 53.25 3cys s LYS 131 Cb 0.02 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 3cys s LYS 131 CO -0.04 -0.56 0.95 0.08 0.10 0.00 0.00 175.35 175.88 3cys s VAL 132 N -3.89 4.61 -0.12 1.79 1.01 0.66 -0.49 120.40 123.97 3cys s VAL 132 Ca 0.32 2.04 -0.06 0.00 0.00 0.00 0.00 61.98 64.27 3cys s VAL 132 Cb 0.03 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3cys s VAL 132 CO 0.13 0.28 -0.12 0.50 0.00 0.00 0.00 175.10 175.90 3cys h LYS 133 N 5.87 0.00 -2.13 2.72 3.64 -1.64 -3.46 116.57 121.58 3cys h LYS 133 Ca -0.42 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3cys h LYS 133 Cb 1.21 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.81 3cys h LYS 133 CO 0.72 0.00 -0.13 -2.00 -2.27 0.00 0.00 179.45 175.77 3cys s GLU 134 N -1.95 0.57 0.00 1.90 2.12 -1.25 -4.90 118.70 115.19 3cys s GLU 134 Ca -0.10 1.27 0.00 0.00 0.36 0.00 0.00 54.97 56.50 3cys s GLU 134 Cb 0.01 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.90 3cys s GLU 134 CO 0.15 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3cys n GLY 135 N 4.99 -0.72 0.30 -1.50 0.00 -1.21 -4.29 105.19 102.76 3cys n GLY 135 Ca -0.15 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.13 3cys n GLY 135 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cys n MET 136 N 0.00 -0.06 -0.13 1.61 2.81 -1.26 0.13 117.12 120.22 3cys n MET 136 Ca 0.00 1.29 -0.08 0.00 -1.81 0.00 0.00 57.70 57.10 3cys n MET 136 Cb 0.00 -2.26 0.07 0.00 -0.71 0.00 0.00 33.22 30.32 3cys n MET 136 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3cys h ASN 137 N 0.00 0.88 -0.59 7.83 2.35 -1.96 -1.36 115.58 122.73 3cys h ASN 137 Ca 0.73 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 56.14 3cys h ASN 137 Cb 1.88 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 39.98 3cys h ASN 137 CO -0.74 1.03 0.18 0.40 -1.65 0.00 0.00 177.43 176.65 3cys h ILE 138 N 0.78 1.24 -0.03 2.81 1.08 0.75 0.68 117.51 124.82 3cys h ILE 138 Ca 0.12 -0.85 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 3cys h ILE 138 Cb 0.68 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 3cys h ILE 138 CO 0.05 0.32 -0.00 0.58 -0.69 0.00 0.00 178.15 178.41 3cys h VAL 139 N 0.93 1.27 -0.81 1.67 2.07 -0.79 -2.88 116.25 117.71 3cys h VAL 139 Ca 0.20 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3cys h VAL 139 Cb 0.29 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 3cys h VAL 139 CO -0.01 0.22 0.34 -0.08 0.02 0.00 0.00 177.57 178.06 3cys h GLU 140 N -0.28 1.21 -0.41 1.57 4.81 -0.97 0.30 114.58 120.81 3cys h GLU 140 Ca 0.01 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 3cys h GLU 140 Cb 0.36 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3cys h GLU 140 CO 0.00 0.97 0.28 0.00 -0.73 0.00 0.00 179.01 179.53 3cys h ALA 141 N 1.18 1.91 0.00 2.92 0.00 -0.84 0.02 119.26 124.46 3cys h ALA 141 Ca 0.27 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 3cys h ALA 141 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3cys h ALA 141 CO -0.02 0.03 -1.15 1.98 0.00 0.00 0.00 179.25 180.09 3cys h MET 142 N 0.38 0.01 -0.52 0.00 1.85 -1.04 -3.25 114.93 112.37 3cys h MET 142 Ca 0.17 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.32 3cys h MET 142 Cb 0.22 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 3cys h MET 142 CO -0.04 0.91 0.35 1.49 -0.40 0.00 0.00 176.91 179.22 3cys h GLU 143 N 0.00 0.41 0.00 0.39 4.81 0.99 -2.07 114.58 119.10 3cys h GLU 143 Ca -0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3cys h GLU 143 Cb 1.82 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.11 3cys h GLU 143 CO 0.12 0.27 -0.06 0.00 -0.73 0.00 0.00 179.01 178.61 3cys h ARG 144 N 0.42 0.00 -0.00 1.92 3.08 -1.45 -1.27 114.38 117.08 3cys h ARG 144 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3cys h ARG 144 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3cys h ARG 144 CO -0.06 0.06 -0.29 1.19 -1.07 0.00 0.00 179.97 179.80 3cys n PHE 145 N -3.32 0.00 -3.42 3.04 3.01 -0.78 -4.81 117.46 111.18 3cys n PHE 145 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.12 3cys n PHE 145 Cb 0.23 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.36 3cys n PHE 145 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3cys s GLY 146 N -2.87 2.33 0.00 1.37 0.00 -0.48 -3.90 107.32 103.77 3cys s GLY 146 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3cys s GLY 146 CO 0.61 -0.08 0.00 1.44 0.00 0.00 0.00 173.10 175.07 3cys n SER 147 N 0.17 0.00 0.00 1.64 7.64 -1.24 -4.35 113.62 117.49 3cys n SER 147 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 3cys n SER 147 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3cys n SER 147 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3cys n ARG 148 N -0.37 0.00 0.17 1.43 1.85 -1.26 -0.13 116.66 118.35 3cys n ARG 148 Ca 0.00 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.98 3cys n ARG 148 Cb 0.00 0.00 0.29 0.00 -1.05 0.00 0.00 32.46 31.70 3cys n ARG 148 CO 0.00 0.00 0.00 -2.95 -0.01 0.00 0.00 177.63 174.67 3cys h ASN 149 N 0.00 0.00 0.00 2.89 -1.07 -1.94 -3.46 115.58 112.00 3cys h ASN 149 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3cys h ASN 149 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3cys h ASN 149 CO 0.00 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 3cys n GLY 150 N 1.13 2.87 2.33 9.14 0.00 0.81 -4.89 105.19 116.59 3cys n GLY 150 Ca 0.04 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 3.82 0.00 1.61 3.00 -1.26 -0.03 118.16 125.29 3cys n LYS 151 Ca 0.00 -2.41 0.00 0.00 -0.00 0.00 0.00 58.31 55.90 3cys n LYS 151 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 32.30 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 3.14 0.00 -2.03 3.15 -2.24 -1.26 -4.65 114.28 110.40 3cys n THR 152 Ca 0.74 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.52 3cys n THR 152 Cb 0.26 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3cys n THR 152 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3cys n SER 153 N -3.73 0.02 0.00 3.42 2.88 -1.25 -4.75 113.62 110.21 3cys n SER 153 Ca 0.00 -1.67 0.00 0.00 -1.33 0.00 0.00 58.87 55.87 3cys n SER 153 Cb 0.00 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 3cys n SER 153 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3cys n LYS 154 N 0.03 0.00 -3.17 -1.46 5.02 -1.26 -5.15 118.16 112.17 3cys n LYS 154 Ca -0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3cys n LYS 154 Cb 0.66 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.65 3cys n LYS 154 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3cys s LYS 155 N 2.22 0.56 -0.15 1.97 -2.85 -1.26 -5.07 119.74 115.16 3cys s LYS 155 Ca 0.00 1.00 0.02 0.00 -1.00 0.00 0.00 55.97 55.98 3cys s LYS 155 Cb 0.00 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.30 3cys s LYS 155 CO 0.00 -0.61 -0.20 0.42 0.10 0.00 0.00 175.35 175.06 3cys s ILE 156 N 2.84 1.97 0.17 3.79 1.01 -1.26 -0.48 121.20 129.24 3cys s ILE 156 Ca 0.20 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3cys s ILE 156 Cb -0.15 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 3cys s ILE 156 CO -0.21 0.53 0.03 0.42 0.00 0.00 0.00 174.94 175.71 3cys s THR 157 N 1.03 0.48 -0.12 2.92 -4.23 -0.70 -3.20 115.64 111.82 3cys s THR 157 Ca -0.02 -1.96 -0.21 0.00 -1.18 0.00 0.00 61.69 58.31 3cys s THR 157 Cb -0.14 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 3cys s THR 157 CO -0.06 -0.43 0.63 -0.63 -0.54 0.00 0.00 174.62 173.59 3cys s ILE 158 N -3.79 5.07 -0.10 2.99 1.01 -0.15 -0.28 121.20 125.95 3cys s ILE 158 Ca 0.25 1.25 -0.14 0.00 0.00 0.00 0.00 60.65 62.01 3cys s ILE 158 Cb 0.07 -3.96 -0.12 0.00 0.01 0.00 0.00 42.46 38.46 3cys s ILE 158 CO 0.04 0.22 0.45 0.00 0.00 0.00 0.00 174.94 175.65 3cys h ALA 159 N 6.99 -0.07 -2.84 9.38 0.00 -1.40 -3.22 119.26 128.10 3cys h ALA 159 Ca -0.38 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3cys h ALA 159 Cb 1.17 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 3cys h ALA 159 CO 0.76 -0.08 0.01 -0.51 0.00 0.00 0.00 179.25 179.43 3cys s ASP 160 N -5.73 -0.29 -0.02 0.00 1.01 -1.24 -4.53 116.67 105.87 3cys s ASP 160 Ca -0.09 -0.35 -0.29 0.00 0.71 0.00 0.00 52.55 52.53 3cys s ASP 160 Cb -0.01 0.54 0.10 0.00 1.01 0.00 0.00 42.92 44.56 3cys s ASP 160 CO 0.33 -0.96 0.91 0.00 0.21 0.00 0.00 175.17 175.66 3cys n GLY 162 N -0.20 0.66 3.45 0.00 0.00 -1.19 -4.78 105.19 103.13 3cys n GLY 162 Ca -0.08 0.46 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 3cys n GLY 162 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cys s GLN 163 N 2.74 0.92 -0.32 1.61 -2.07 -1.26 -4.37 119.66 116.91 3cys s GLN 163 Ca 0.00 0.22 -0.08 0.00 -1.82 0.00 0.00 55.36 53.68 3cys s GLN 163 Cb 0.00 0.43 0.02 0.00 -1.09 0.00 0.00 33.01 32.37 3cys s GLN 163 CO 0.00 -0.27 0.12 -0.51 -1.32 0.00 0.00 175.29 173.31 3cys s LEU 164 N -1.05 4.14 0.00 2.60 1.43 0.16 -4.86 118.68 121.11 3cys s LEU 164 Ca -0.10 -0.83 0.29 0.00 -1.03 0.00 0.00 54.13 52.46 3cys s LEU 164 Cb -0.02 -1.92 1.27 0.00 0.03 0.00 0.00 46.19 45.56 3cys s LEU 164 CO 0.08 -0.26 1.87 -0.62 0.23 0.00 0.00 176.35 177.65