#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cys s VAL 2 N 0.00 3.86 -0.40 1.12 1.01 -1.26 -4.90 120.40 119.83 3cys s VAL 2 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3cys s VAL 2 Cb 0.00 -4.96 0.12 0.00 0.00 0.00 0.00 36.38 31.54 3cys s VAL 2 CO 0.00 -1.86 0.17 0.20 0.00 0.00 0.00 175.10 173.62 3cys s ASN 3 N 5.00 4.04 0.75 3.32 0.01 -1.26 -2.78 114.94 124.01 3cys s ASN 3 Ca 0.46 -2.35 -0.11 0.00 -0.71 0.00 0.00 52.86 50.15 3cys s ASN 3 Cb -0.02 -1.18 0.04 0.00 0.41 0.00 0.00 41.25 40.50 3cys s ASN 3 CO -0.05 -0.32 1.08 -2.16 -1.51 0.00 0.00 177.10 174.14 3cys s PRO 4 N 0.67 2.50 -0.01 -0.60 0.04 -1.20 -4.69 135.00 131.71 3cys s PRO 4 Ca 0.14 0.79 0.04 0.00 0.04 0.00 0.00 61.00 62.02 3cys s PRO 4 Cb -0.22 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 3cys s PRO 4 CO -0.08 -1.37 -0.13 0.99 0.04 0.00 0.00 177.00 176.46 3cys s THR 5 N -3.10 1.02 0.26 1.26 2.01 -1.26 -0.76 115.64 115.06 3cys s THR 5 Ca 0.59 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 62.17 3cys s THR 5 Cb -0.14 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3cys s THR 5 CO 0.55 0.29 -0.19 0.68 -0.69 0.00 0.00 174.62 175.26 3cys s VAL 6 N -0.20 2.29 0.01 3.82 -7.23 -0.76 -1.10 120.40 117.24 3cys s VAL 6 Ca 0.03 -2.34 0.04 0.00 -1.81 0.00 0.00 61.98 57.91 3cys s VAL 6 Cb -0.06 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 3cys s VAL 6 CO -0.00 -0.43 -0.13 0.72 -0.31 0.00 0.00 175.10 174.96 3cys s PHE 7 N -2.56 1.10 -0.03 2.82 -0.12 -0.59 -0.74 117.98 117.87 3cys s PHE 7 Ca 0.28 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.90 3cys s PHE 7 Cb -0.04 -0.68 0.00 0.00 -0.63 0.00 0.00 43.02 41.67 3cys s PHE 7 CO 0.13 0.00 -0.09 -0.06 -0.05 0.00 0.00 175.22 175.15 3cys s PHE 8 N -0.58 0.99 -0.10 3.49 0.40 0.11 -2.21 117.98 120.07 3cys s PHE 8 Ca 0.02 -0.25 -0.07 0.00 -0.60 0.00 0.00 56.93 56.04 3cys s PHE 8 Cb -0.06 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.73 3cys s PHE 8 CO 0.00 -0.10 0.16 0.34 0.70 0.00 0.00 175.22 176.32 3cys s ASP 9 N 0.17 6.41 -0.09 1.36 -1.08 -0.58 -0.04 116.67 122.82 3cys s ASP 9 Ca -0.03 0.48 0.04 0.00 -0.52 0.00 0.00 52.55 52.52 3cys s ASP 9 Cb -0.09 -2.07 -0.00 0.00 -1.46 0.00 0.00 42.92 39.31 3cys s ASP 9 CO 0.01 0.38 -0.23 -0.63 0.52 0.00 0.00 175.17 175.22 3cys s ILE 10 N -1.08 1.97 -0.15 4.11 -1.09 -1.11 -3.50 121.20 120.34 3cys s ILE 10 Ca 0.17 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 3cys s ILE 10 Cb -0.12 -1.70 0.02 0.00 -1.58 0.00 0.00 42.46 39.08 3cys s ILE 10 CO 0.07 0.54 -0.17 0.00 -1.23 0.00 0.00 174.94 174.15 3cys s ALA 11 N 0.30 2.03 -0.47 9.38 0.00 -0.82 -0.86 121.76 131.32 3cys s ALA 11 Ca -0.16 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 3cys s ALA 11 Cb -0.17 -1.05 0.12 0.00 0.00 0.00 0.00 23.12 22.01 3cys s ALA 11 CO 0.08 -0.28 0.35 0.08 0.00 0.00 0.00 175.76 175.98 3cys s VAL 12 N 1.27 4.25 -0.30 0.00 1.01 0.13 -2.27 120.40 124.50 3cys s VAL 12 Ca 0.02 -1.76 -0.11 0.00 0.00 0.00 0.00 61.98 60.12 3cys s VAL 12 Cb -0.14 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3cys s VAL 12 CO -0.09 -0.77 0.28 0.47 0.00 0.00 0.00 175.10 174.99 3cys n ASP 13 N 4.92 -7.23 -4.43 3.32 8.00 -0.59 -3.01 116.55 117.52 3cys n ASP 13 Ca -0.08 0.68 -0.40 0.00 0.71 0.00 0.00 54.79 55.70 3cys n ASP 13 Cb 0.41 -3.83 -0.06 0.00 -0.02 0.00 0.00 41.12 37.61 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 0.42 -0.40 2.89 0.44 0.00 -1.26 -4.88 105.19 102.40 3cys n GLY 14 Ca 0.01 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -7.15 0.34 -0.32 1.61 2.56 -1.17 -5.12 118.70 109.46 3cys s GLU 15 Ca 0.76 0.37 -0.29 0.00 0.00 0.00 0.00 54.97 55.81 3cys s GLU 15 Cb -0.43 -0.53 0.00 0.00 2.00 0.00 0.00 34.13 35.16 3cys s GLU 15 CO 1.00 -0.75 1.36 -1.25 -0.56 0.00 0.00 175.26 175.06 3cys s PRO 16 N 2.51 3.82 0.10 4.30 0.04 -1.26 0.17 135.00 144.69 3cys s PRO 16 Ca 0.11 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.23 3cys s PRO 16 Cb -0.15 -3.93 -0.08 0.00 0.04 0.00 0.00 34.50 30.38 3cys s PRO 16 CO -0.19 -1.25 1.43 -0.07 0.04 0.00 0.00 177.00 176.96 3cys h LEU 17 N 11.28 0.77 0.00 -3.56 -0.00 -1.38 -3.49 115.31 118.93 3cys h LEU 17 Ca -0.27 -0.46 0.00 0.00 -0.00 0.00 0.00 57.88 57.15 3cys h LEU 17 Cb 1.11 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 3cys h LEU 17 CO 1.04 1.07 0.00 0.61 -0.00 0.00 0.00 178.44 181.16 3cys n GLY 18 N 0.13 -0.90 3.82 0.83 0.00 -1.25 -4.99 105.19 102.83 3cys n GLY 18 Ca -0.03 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.82 3.26 -0.08 1.61 6.06 -1.26 -2.76 118.95 123.96 3cys s ARG 19 Ca 0.00 -0.30 0.04 0.00 -2.50 0.00 0.00 55.73 52.97 3cys s ARG 19 Cb 0.00 -3.02 0.00 0.00 0.06 0.00 0.00 34.95 31.99 3cys s ARG 19 CO 0.00 0.72 -0.21 0.08 -2.50 0.00 0.00 175.30 173.38 3cys s VAL 20 N -1.09 1.83 -0.11 7.11 1.01 0.94 -4.54 120.40 125.55 3cys s VAL 20 Ca 0.18 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3cys s VAL 20 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3cys s VAL 20 CO 0.08 0.51 -0.03 -0.44 0.00 0.00 0.00 175.10 175.22 3cys s SER 21 N 0.31 4.92 -0.14 3.32 0.01 -0.60 0.08 113.70 121.60 3cys s SER 21 Ca -0.15 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.11 3cys s SER 21 Cb -0.16 -1.52 0.02 0.00 0.21 0.00 0.00 66.02 64.57 3cys s SER 21 CO 0.07 0.29 -0.13 -0.36 0.41 0.00 0.00 173.24 173.51 3cys s PHE 22 N -0.36 2.02 0.34 2.43 0.08 0.08 -3.55 117.98 119.03 3cys s PHE 22 Ca 0.06 -1.09 -0.26 0.00 0.12 0.00 0.00 56.93 55.77 3cys s PHE 22 Cb -0.12 -1.51 -0.10 0.00 -0.57 0.00 0.00 43.02 40.72 3cys s PHE 22 CO 0.02 -0.61 0.96 -1.83 -0.10 0.00 0.00 175.22 173.66 3cys s GLU 23 N 1.42 4.53 -0.09 0.44 -1.05 -0.93 -1.82 118.70 121.20 3cys s GLU 23 Ca 0.03 1.34 0.04 0.00 -0.15 0.00 0.00 54.97 56.22 3cys s GLU 23 Cb -0.13 -2.75 0.00 0.00 -0.44 0.00 0.00 34.13 30.82 3cys s GLU 23 CO -0.09 0.22 -0.21 -0.51 0.95 0.00 0.00 175.26 175.62 3cys s LEU 24 N -2.16 1.98 -1.29 1.83 1.43 0.06 -1.96 118.68 118.57 3cys s LEU 24 Ca 0.51 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3cys s LEU 24 Cb -0.19 -1.26 0.15 0.00 0.03 0.00 0.00 46.19 44.92 3cys s LEU 24 CO 0.24 0.14 2.11 0.49 0.23 0.00 0.00 176.35 179.55 3cys n PHE 25 N 3.55 2.72 0.29 0.29 3.72 -1.01 -3.23 117.46 123.79 3cys n PHE 25 Ca -0.20 -2.79 0.14 0.00 -0.05 0.00 0.00 57.45 54.55 3cys n PHE 25 Cb 0.53 -1.84 0.66 0.00 -0.94 0.00 0.00 39.48 37.88 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 5.12 1.00 -0.44 4.37 0.00 -1.73 -2.93 119.26 124.65 3cys h ALA 26 Ca 0.54 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.54 3cys h ALA 26 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 3cys h ALA 26 CO 1.53 0.00 -0.34 0.22 0.00 0.00 0.00 179.25 180.66 3cys h ASP 27 N 0.00 -1.14 -0.01 0.00 3.58 -1.80 -1.46 116.42 115.59 3cys h ASP 27 Ca 0.00 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3cys h ASP 27 Cb 0.22 0.54 0.00 0.00 1.72 0.00 0.00 39.33 41.80 3cys h ASP 27 CO 0.00 -0.32 -0.22 2.29 -2.88 0.00 0.00 179.24 178.10 3cys n LYS 28 N -5.42 1.80 -3.29 0.28 -0.00 -1.12 -4.55 118.16 105.85 3cys n LYS 28 Ca 0.01 -0.75 -0.24 0.00 -0.00 0.00 0.00 58.31 57.33 3cys n LYS 28 Cb 0.34 -1.16 -0.08 0.00 -0.00 0.00 0.00 35.03 34.13 3cys n LYS 28 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3cys n VAL 29 N -0.10 -1.02 0.02 0.58 0.24 -1.07 -4.97 118.33 112.02 3cys n VAL 29 Ca 0.05 -3.24 -0.19 0.00 -2.04 0.00 0.00 64.34 58.92 3cys n VAL 29 Cb 0.27 -1.39 -0.09 0.00 -1.47 0.00 0.00 33.84 31.16 3cys n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3cys h PRO 30 N 5.31 0.74 -0.41 7.34 0.13 -1.51 -2.60 132.00 140.99 3cys h PRO 30 Ca 0.21 -0.72 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3cys h PRO 30 Cb 0.93 0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3cys h PRO 30 CO 0.35 1.31 0.02 1.57 -0.23 0.00 0.00 178.00 181.01 3cys h LYS 31 N 0.45 0.66 -0.09 0.86 2.10 -1.93 0.15 116.57 118.77 3cys h LYS 31 Ca -0.10 -0.15 -0.06 0.00 -2.00 0.00 0.00 60.65 58.33 3cys h LYS 31 Cb 1.60 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.84 3cys h LYS 31 CO 0.19 0.66 -0.18 1.15 -2.00 0.00 0.00 179.45 179.27 3cys h THR 32 N 0.62 1.40 -0.61 0.07 2.02 -1.92 -1.99 112.91 112.51 3cys h THR 32 Ca 0.13 -1.48 -0.06 0.00 0.77 0.00 0.00 66.41 65.77 3cys h THR 32 Cb 0.37 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3cys h THR 32 CO 0.01 0.42 0.13 0.00 0.37 0.00 0.00 175.52 176.45 3cys h ALA 33 N 0.50 1.08 0.23 6.16 0.00 -1.12 -1.79 119.26 124.33 3cys h ALA 33 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3cys h ALA 33 Cb 0.77 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3cys h ALA 33 CO 0.04 0.60 -0.11 1.49 0.00 0.00 0.00 179.25 181.28 3cys h GLU 34 N 0.91 -0.29 -0.96 0.00 4.81 -0.72 0.68 114.58 119.01 3cys h GLU 34 Ca 0.19 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 3cys h GLU 34 Cb 0.36 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 3cys h GLU 34 CO 0.00 0.03 0.61 -0.91 -0.73 0.00 0.00 179.01 178.01 3cys h ASN 35 N -0.64 0.86 0.54 1.04 2.35 -1.25 0.57 115.58 119.05 3cys h ASN 35 Ca -0.03 0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.53 3cys h ASN 35 Cb 0.45 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 3cys h ASN 35 CO 0.05 0.46 -1.00 0.15 -1.65 0.00 0.00 177.43 175.45 3cys h PHE 36 N 0.93 0.43 -0.87 1.19 3.57 -1.20 -3.13 116.94 117.85 3cys h PHE 36 Ca 0.47 -0.26 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3cys h PHE 36 Cb 0.51 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 3cys h PHE 36 CO -0.00 1.11 0.56 -0.09 -2.23 0.00 0.00 178.31 177.66 3cys h ARG 37 N 0.13 1.06 -0.95 1.11 1.12 0.25 0.12 114.38 117.22 3cys h ARG 37 Ca -0.08 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 3cys h ARG 37 Cb 1.66 -0.24 -0.05 0.00 -0.01 0.00 0.00 29.97 31.34 3cys h ARG 37 CO 0.16 0.70 0.60 0.00 -3.11 0.00 0.00 179.97 178.33 3cys h ALA 38 N 1.36 1.27 0.00 2.80 0.00 -1.11 0.18 119.26 123.77 3cys h ALA 38 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3cys h ALA 38 Cb 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3cys h ALA 38 CO -0.12 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.06 3cys n LEU 39 N -4.37 0.71 -0.11 0.00 4.77 -0.14 -0.81 117.00 117.05 3cys n LEU 39 Ca 0.11 0.61 -0.23 0.00 -0.03 0.00 0.00 56.01 56.47 3cys n LEU 39 Cb 0.04 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 3cys n LEU 39 CO 0.37 -0.32 -0.70 -1.20 -1.33 0.00 0.00 177.39 174.21 3cys n SER 40 N -2.21 1.88 0.08 -1.43 7.64 0.25 -2.11 113.62 117.72 3cys n SER 40 Ca 0.04 0.41 -0.07 0.00 1.01 0.00 0.00 58.87 60.27 3cys n SER 40 Cb 0.35 -0.93 -0.05 0.00 -1.01 0.00 0.00 64.21 62.56 3cys n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cys h THR 41 N -1.00 1.63 0.00 0.44 1.03 -0.72 -3.10 112.91 111.20 3cys h THR 41 Ca -0.41 -3.07 0.00 0.00 -0.01 0.00 0.00 66.41 62.92 3cys h THR 41 Cb 1.34 2.68 0.00 0.00 -1.07 0.00 0.00 68.15 71.10 3cys h THR 41 CO -0.25 0.88 0.00 0.61 -0.01 0.00 0.00 175.52 176.75 3cys n GLY 42 N 1.10 1.76 3.54 2.99 0.00 0.01 -4.84 105.19 109.76 3cys n GLY 42 Ca -0.01 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3cys n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3cys n GLU 43 N 0.00 1.40 0.00 1.61 4.07 -1.26 0.61 120.64 127.06 3cys n GLU 43 Ca 0.00 -2.31 0.00 0.00 -0.06 0.00 0.00 57.16 54.79 3cys n GLU 43 Cb 0.00 -3.67 0.00 0.00 -0.06 0.00 0.00 31.44 27.71 3cys n GLU 43 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3cys n LYS 44 N 8.14 0.00 -1.73 5.31 3.00 -1.26 -4.97 118.16 126.65 3cys n LYS 44 Ca 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.73 3cys n LYS 44 Cb 0.46 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.53 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 0.00 0.73 7.00 3.14 0.00 -0.26 -5.08 105.19 110.72 3cys n GLY 45 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.65 -1.23 0.00 1.61 1.16 0.20 -4.62 117.46 113.93 3cys n PHE 46 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 3cys n PHE 46 Cb 0.68 0.09 0.00 0.00 -1.61 0.00 0.00 39.48 38.64 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 0.00 0.88 0.44 4.97 0.00 -1.26 -3.79 105.19 106.44 3cys n GLY 47 Ca 0.00 -0.39 0.26 0.00 0.00 0.00 0.00 46.02 45.88 3cys n GLY 47 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 3cys h TYR 48 N 0.00 0.36 -0.65 1.61 -0.00 -1.75 -3.33 116.97 113.22 3cys h TYR 48 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 58.73 58.44 3cys h TYR 48 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 36.73 36.58 3cys h TYR 48 CO 0.00 0.05 0.83 0.21 -0.00 0.00 0.00 178.16 179.25 3cys s LYS 49 N -5.26 2.54 0.00 0.10 2.47 -1.26 -2.16 119.74 116.17 3cys s LYS 49 Ca -0.07 -0.53 0.00 0.00 -1.56 0.00 0.00 55.97 53.81 3cys s LYS 49 Cb 0.23 -5.11 0.00 0.00 -1.46 0.00 0.00 37.83 31.49 3cys s LYS 49 CO 0.79 -3.54 0.00 0.41 0.16 0.00 0.00 175.35 173.17 3cys n GLY 50 N 6.57 1.12 0.13 5.54 0.00 -1.25 -5.03 105.19 112.27 3cys n GLY 50 Ca 0.41 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 3cys n GLY 50 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cys h SER 51 N 0.00 0.65 -3.49 1.61 0.02 -1.58 -3.36 113.55 107.40 3cys h SER 51 Ca 0.00 -0.93 0.28 0.00 -0.84 0.00 0.00 61.79 60.30 3cys h SER 51 Cb 0.00 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.25 3cys h SER 51 CO 0.00 1.54 -0.39 0.00 -1.14 0.00 0.00 176.83 176.83 3cys n PHE 53 N -3.37 -3.94 0.00 0.00 1.16 -1.23 -0.31 117.46 109.77 3cys n PHE 53 Ca 0.00 -0.98 0.00 0.00 -1.87 0.00 0.00 57.45 54.61 3cys n PHE 53 Cb 0.48 -0.92 0.00 0.00 -1.61 0.00 0.00 39.48 37.42 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 -3.87 -1.15 0.00 2.97 -0.00 -1.20 -2.60 115.22 109.37 3cys n HIS 54 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 3cys n HIS 54 Cb 0.50 0.50 0.00 0.00 -0.12 0.00 0.00 29.99 30.88 3cys n HIS 54 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 3cys n ARG 55 N -2.50 0.00 -2.45 1.57 1.85 -1.25 -5.02 116.66 108.85 3cys n ARG 55 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 3cys n ARG 55 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 3cys n ARG 55 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3cys s ILE 56 N 0.00 3.89 -0.14 8.89 1.01 -1.18 -4.51 121.20 129.16 3cys s ILE 56 Ca 0.00 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.18 3cys s ILE 56 Cb 0.00 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.52 3cys s ILE 56 CO 0.00 0.20 -0.21 -0.63 0.00 0.00 0.00 174.94 174.29 3cys s ILE 57 N 0.33 2.02 0.20 2.92 1.01 -1.06 -2.91 121.20 123.71 3cys s ILE 57 Ca 0.54 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 3cys s ILE 57 Cb -0.30 -1.79 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 3cys s ILE 57 CO 0.33 0.54 1.11 -2.16 0.00 0.00 0.00 174.94 174.76 3cys s PRO 58 N 0.85 4.59 -0.49 2.79 0.04 -1.26 -2.76 135.00 138.77 3cys s PRO 58 Ca -0.06 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 3cys s PRO 58 Cb -0.15 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3cys s PRO 58 CO -0.03 0.09 0.20 0.41 0.04 0.00 0.00 177.00 177.71 3cys n GLY 59 N 1.87 0.30 2.07 0.56 0.00 -1.26 -4.83 105.19 103.91 3cys n GLY 59 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.63 -2.89 -3.62 1.61 7.35 -1.23 -4.92 117.46 110.13 3cys n PHE 60 Ca -0.04 0.55 -0.03 0.00 -0.76 0.00 0.00 57.45 57.17 3cys n PHE 60 Cb 0.54 1.62 -0.02 0.00 0.35 0.00 0.00 39.48 41.97 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 -1.38 0.14 0.18 -4.13 0.23 -1.11 -1.86 119.30 111.37 3cys s MET 61 Ca 0.00 -0.05 0.04 0.00 -1.03 0.00 0.00 55.69 54.64 3cys s MET 61 Cb 0.00 0.07 -0.03 0.00 -1.53 0.00 0.00 34.83 33.33 3cys s MET 61 CO 0.00 -0.06 0.30 0.00 -2.03 0.00 0.00 175.02 173.22 3cys s GLN 63 N -3.49 0.01 0.28 0.00 0.74 -1.26 -3.71 119.66 112.22 3cys s GLN 63 Ca 0.34 0.26 0.09 0.00 0.05 0.00 0.00 55.36 56.10 3cys s GLN 63 Cb -0.10 -0.23 -0.04 0.00 1.10 0.00 0.00 33.01 33.73 3cys s GLN 63 CO 0.28 -0.17 0.09 0.20 -0.55 0.00 0.00 175.29 175.13 3cys s GLY 64 N 1.16 1.64 0.00 2.59 0.00 -1.26 -3.23 107.32 108.22 3cys s GLY 64 Ca -0.09 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.01 3cys s GLY 64 CO -0.04 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.02 3cys n GLY 65 N -1.03 0.74 0.00 0.20 0.00 0.57 -4.69 105.19 100.98 3cys n GLY 65 Ca -0.06 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3cys n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cys n ASP 66 N 0.00 1.93 -2.71 1.61 -0.08 -1.00 -4.76 116.55 111.54 3cys n ASP 66 Ca 0.00 -0.82 -0.06 0.00 -1.51 0.00 0.00 54.79 52.40 3cys n ASP 66 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 3cys n ASP 66 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 3cys n PHE 67 N 0.00 -0.12 0.00 -0.67 1.16 -1.26 -4.08 117.46 112.49 3cys n PHE 67 Ca 0.00 -2.30 0.00 0.00 -1.87 0.00 0.00 57.45 53.28 3cys n PHE 67 Cb 0.00 0.39 0.00 0.00 -1.61 0.00 0.00 39.48 38.26 3cys n PHE 67 CO 0.00 0.00 0.00 -2.37 -1.87 0.00 0.00 176.76 172.52 3cys n THR 68 N -0.50 0.00 0.00 1.97 5.66 -1.26 -5.01 114.28 115.14 3cys n THR 68 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3cys n THR 68 Cb 0.83 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.61 3cys n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3cys n ARG 69 N -1.86 0.00 0.00 1.09 3.00 -1.26 -5.06 116.66 112.56 3cys n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3cys n ARG 69 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 32.46 32.10 3cys n ARG 69 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 3cys n HIS 70 N -2.34 0.00 -2.64 -1.55 1.44 -1.26 -4.55 115.22 104.32 3cys n HIS 70 Ca 0.00 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.59 3cys n HIS 70 Cb 0.16 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.27 3cys n HIS 70 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3cys n ASN 71 N 1.86 -3.33 -2.45 4.39 2.85 -1.26 0.24 115.26 117.55 3cys n ASN 71 Ca 0.00 0.13 -0.20 0.00 -0.11 0.00 0.00 54.58 54.40 3cys n ASN 71 Cb 0.00 -2.85 0.00 0.00 1.24 0.00 0.00 39.78 38.18 3cys n ASN 71 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3cys n GLY 72 N -0.82 -0.46 1.71 8.20 0.00 -1.26 -4.77 105.19 107.78 3cys n GLY 72 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -4.14 0.00 -0.62 2.61 -1.04 0.12 -5.12 114.28 106.08 3cys n THR 73 Ca -0.20 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.50 3cys n THR 73 Cb 0.66 -0.44 0.18 0.00 -1.82 0.00 0.00 70.33 68.91 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 1.52 -2.56 0.00 3.41 0.00 0.14 -4.85 105.19 102.85 3cys n GLY 74 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 2.06 4.68 3.66 -0.02 0.00 -1.26 -4.56 105.19 109.76 3cys n GLY 75 Ca 0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.98 1.57 0.29 1.61 -2.85 -1.24 -4.98 119.74 110.17 3cys s LYS 76 Ca 0.00 -0.99 0.06 0.00 -1.00 0.00 0.00 55.97 54.04 3cys s LYS 76 Cb 0.00 0.55 -0.02 0.00 -2.06 0.00 0.00 37.83 36.29 3cys s LYS 76 CO 0.00 -0.69 0.21 0.45 0.10 0.00 0.00 175.35 175.43 3cys n SER 77 N -0.40 -0.27 0.02 0.03 2.88 -1.18 -4.13 113.62 110.57 3cys n SER 77 Ca -0.06 -2.82 -0.07 0.00 -1.33 0.00 0.00 58.87 54.59 3cys n SER 77 Cb 0.61 1.30 -0.12 0.00 -0.75 0.00 0.00 64.21 65.25 3cys n SER 77 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3cys h ILE 78 N 1.83 1.08 -0.00 2.46 3.07 -1.89 -3.31 117.51 120.75 3cys h ILE 78 Ca -0.21 -2.83 0.00 0.00 1.55 0.00 0.00 64.86 63.37 3cys h ILE 78 Cb 1.00 2.51 0.00 0.00 -0.27 0.00 0.00 36.82 40.06 3cys h ILE 78 CO 0.31 0.62 -0.12 0.00 -1.05 0.00 0.00 178.15 177.91 3cys n TYR 79 N -3.13 0.00 0.00 0.16 4.19 -1.26 -4.82 117.16 112.30 3cys n TYR 79 Ca -0.10 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.11 3cys n TYR 79 Cb 0.98 -0.35 0.00 0.00 0.49 0.00 0.00 39.34 40.46 3cys n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3cys n GLY 80 N 1.41 0.61 2.90 2.98 0.00 -1.25 -4.80 105.19 107.05 3cys n GLY 80 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 -3.83 1.61 0.28 -1.25 -4.84 120.64 112.61 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 -0.41 0.01 0.00 1.43 0.00 0.00 31.44 32.47 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 -0.15 1.33 0.37 3.44 -2.85 -1.26 -4.15 119.74 116.48 3cys s LYS 82 Ca 0.00 -0.82 -0.12 0.00 -1.00 0.00 0.00 55.97 54.03 3cys s LYS 82 Cb 0.00 0.40 0.04 0.00 -2.06 0.00 0.00 37.83 36.21 3cys s LYS 82 CO 0.00 -0.62 0.70 -0.59 0.10 0.00 0.00 175.35 174.94 3cys s PHE 83 N -2.54 0.41 1.04 1.78 -0.71 0.11 -4.62 117.98 113.45 3cys s PHE 83 Ca 0.18 -0.96 -0.13 0.00 -1.04 0.00 0.00 56.93 54.98 3cys s PHE 83 Cb -0.02 0.56 0.21 0.00 -1.21 0.00 0.00 43.02 42.56 3cys s PHE 83 CO 0.05 -1.45 1.09 -1.21 -1.34 0.00 0.00 175.22 172.36 3cys s GLU 84 N -2.52 0.11 -0.05 1.99 2.02 -1.26 -3.33 118.70 115.66 3cys s GLU 84 Ca 0.20 0.43 0.13 0.00 0.02 0.00 0.00 54.97 55.75 3cys s GLU 84 Cb -0.04 -1.71 -0.23 0.00 0.10 0.00 0.00 34.13 32.25 3cys s GLU 84 CO 0.14 -2.93 0.62 -0.25 0.02 0.00 0.00 175.26 172.86 3cys n ASP 85 N -4.30 0.84 0.00 -0.19 8.00 -1.26 -4.82 116.55 114.82 3cys n ASP 85 Ca 0.06 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.94 3cys n ASP 85 Cb 0.58 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3cys n ASP 85 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3cys n GLU 86 N -3.03 0.00 0.00 -1.24 4.07 -1.26 -4.75 120.64 114.43 3cys n GLU 86 Ca -0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 3cys n GLU 86 Cb 1.06 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.44 3cys n GLU 86 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3cys n ASN 87 N 3.99 0.00 -2.58 4.31 2.04 -1.26 -5.04 115.26 116.73 3cys n ASN 87 Ca 0.00 0.00 -0.32 0.00 -0.44 0.00 0.00 54.58 53.82 3cys n ASN 87 Cb 0.00 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.27 3cys n ASN 87 CO 0.00 0.00 0.00 0.49 -0.44 0.00 0.00 177.26 177.31 3cys n PHE 88 N -0.09 3.17 -0.26 -2.53 3.01 -1.26 -4.76 117.46 114.74 3cys n PHE 88 Ca 0.00 -2.72 -0.01 0.00 1.01 0.00 0.00 57.45 55.73 3cys n PHE 88 Cb 0.00 -0.63 0.12 0.00 -0.01 0.00 0.00 39.48 38.95 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 2.18 0.98 -3.67 4.37 2.04 -1.96 -3.41 117.51 118.05 3cys h ILE 89 Ca 0.43 -0.26 -0.50 0.00 1.00 0.00 0.00 64.86 65.53 3cys h ILE 89 Cb 0.65 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3cys h ILE 89 CO 1.12 0.14 0.20 -0.76 0.00 0.00 0.00 178.15 178.86 3cys s LEU 90 N -10.24 4.39 0.00 1.44 1.02 -1.26 -5.07 118.68 108.96 3cys s LEU 90 Ca -0.13 1.61 0.00 0.00 0.02 0.00 0.00 54.13 55.63 3cys s LEU 90 Cb 0.17 -3.68 0.00 0.00 0.02 0.00 0.00 46.19 42.70 3cys s LEU 90 CO 0.77 0.03 0.00 0.29 0.02 0.00 0.00 176.35 177.46 3cys n LYS 91 N 0.83 1.87 -3.37 1.70 5.02 -1.26 -4.48 118.16 118.47 3cys n LYS 91 Ca -0.01 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.82 3cys n LYS 91 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.49 3cys n LYS 91 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3cys s HIS 92 N -0.72 3.74 0.25 2.13 3.76 -1.26 -4.88 115.29 118.31 3cys s HIS 92 Ca 0.00 -2.07 0.14 0.00 -0.15 0.00 0.00 55.06 52.99 3cys s HIS 92 Cb 0.00 -3.76 0.57 0.00 1.11 0.00 0.00 32.58 30.50 3cys s HIS 92 CO 0.00 -0.98 1.71 1.79 -0.85 0.00 0.00 174.74 176.41 3cys h THR 93 N 4.81 1.17 0.00 1.30 1.35 -1.94 -3.42 112.91 116.18 3cys h THR 93 Ca 0.10 -1.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 3cys h THR 93 Cb 1.03 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3cys h THR 93 CO 0.75 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 177.09 3cys n GLY 94 N 0.10 -0.59 3.75 5.82 0.00 -1.26 -4.86 105.19 108.16 3cys n GLY 94 Ca -0.01 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3cys n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cys s PRO 95 N -1.34 4.63 0.00 1.61 0.04 -1.24 -4.13 135.00 134.57 3cys s PRO 95 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3cys s PRO 95 Cb 0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3cys s PRO 95 CO 0.00 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.62 3cys n GLY 96 N 1.53 0.74 3.17 0.56 0.00 0.36 -4.84 105.19 106.71 3cys n GLY 96 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.80 1.82 -0.39 -0.61 -1.09 -0.87 -1.55 121.20 116.71 3cys s ILE 97 Ca 0.00 -0.89 -0.21 0.00 -2.23 0.00 0.00 60.65 57.32 3cys s ILE 97 Cb 0.00 -1.58 0.01 0.00 -1.58 0.00 0.00 42.46 39.31 3cys s ILE 97 CO 0.00 0.51 0.68 -0.22 -1.23 0.00 0.00 174.94 174.68 3cys s LEU 98 N 0.37 4.29 0.04 2.97 1.98 -1.21 -1.55 118.68 125.57 3cys s LEU 98 Ca -0.16 0.03 0.00 0.00 -2.89 0.00 0.00 54.13 51.11 3cys s LEU 98 Cb -0.17 -2.83 -0.03 0.00 0.66 0.00 0.00 46.19 43.82 3cys s LEU 98 CO 0.07 -0.70 -0.04 -0.94 -1.89 0.00 0.00 176.35 172.85 3cys s SER 99 N 1.90 0.50 -0.03 3.68 1.04 -1.26 -3.01 113.70 116.52 3cys s SER 99 Ca 0.26 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 3cys s SER 99 Cb -0.14 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 3cys s SER 99 CO 0.17 -0.38 0.04 -0.04 0.98 0.00 0.00 173.24 174.01 3cys s MET 100 N -2.36 2.97 0.00 4.02 -1.94 0.32 -3.17 119.30 119.15 3cys s MET 100 Ca -0.06 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 3cys s MET 100 Cb -0.04 -2.80 0.00 0.00 2.01 0.00 0.00 34.83 34.00 3cys s MET 100 CO -0.04 0.66 0.10 0.00 -0.01 0.00 0.00 175.02 175.74 3cys n ALA 101 N 1.54 0.00 -0.13 3.03 0.00 -1.26 -1.93 120.51 121.76 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.32 -1.90 -1.87 0.00 3.02 -1.26 -4.45 115.26 108.48 3cys n ASN 102 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.58 3cys n ASN 102 Cb 0.00 0.45 0.36 0.00 -0.61 0.00 0.00 39.78 39.97 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 -0.20 4.03 0.00 5.41 0.00 -1.23 -4.94 120.51 123.58 3cys n ALA 103 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.51 3cys n ALA 103 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 0.38 -0.98 3.74 0.00 0.00 -1.26 -5.04 105.19 102.04 3cys n GLY 104 Ca 0.30 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 4.58 -1.40 1.61 0.04 -1.26 -2.83 135.00 133.74 3cys s PRO 105 Ca 0.00 1.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 3cys s PRO 105 Cb 0.00 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.35 3cys s PRO 105 CO 0.00 0.05 0.62 0.09 0.04 0.00 0.00 177.00 177.80 3cys n ASN 106 N 2.36 -4.07 -3.46 6.66 3.02 -1.26 -4.90 115.26 113.61 3cys n ASN 106 Ca 0.03 -0.52 -0.27 0.00 -0.03 0.00 0.00 54.58 53.79 3cys n ASN 106 Cb 0.46 -3.33 -0.09 0.00 -0.61 0.00 0.00 39.78 36.21 3cys n ASN 106 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3cys n THR 107 N -4.17 1.69 -4.09 3.41 -1.04 -1.13 -4.30 114.28 104.65 3cys n THR 107 Ca -0.00 -4.93 -0.14 0.00 -2.04 0.00 0.00 64.05 56.94 3cys n THR 107 Cb 0.54 -2.08 -0.12 0.00 -1.82 0.00 0.00 70.33 66.85 3cys n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3cys s ASN 108 N -2.05 0.77 0.00 8.00 0.01 -1.21 -3.53 114.94 116.92 3cys s ASN 108 Ca 0.37 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 3cys s ASN 108 Cb 0.12 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.78 3cys s ASN 108 CO -0.06 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 3cys n GLY 109 N 1.92 0.37 0.00 0.66 0.00 -1.26 -0.71 105.19 106.16 3cys n GLY 109 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3cys n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cys n SER 110 N 0.00 0.00 -4.87 1.61 3.41 -1.26 -3.12 113.62 109.39 3cys n SER 110 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3cys n SER 110 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3cys n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cys s GLN 111 N 0.00 3.82 -0.02 4.33 -0.21 -1.26 -4.95 119.66 121.37 3cys s GLN 111 Ca 0.00 0.28 -0.02 0.00 0.02 0.00 0.00 55.36 55.63 3cys s GLN 111 Cb 0.00 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.26 3cys s GLN 111 CO 0.00 0.38 0.06 -0.59 -2.12 0.00 0.00 175.29 173.02 3cys s PHE 112 N -1.70 -0.02 -0.06 0.91 -0.12 -1.26 -4.30 117.98 111.44 3cys s PHE 112 Ca 0.44 0.06 -0.02 0.00 -0.05 0.00 0.00 56.93 57.36 3cys s PHE 112 Cb -0.12 -0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.29 3cys s PHE 112 CO 0.21 -0.07 0.03 -0.06 -0.05 0.00 0.00 175.22 175.27 3cys s PHE 113 N -0.28 0.36 -0.10 3.49 0.08 -1.19 -4.41 117.98 115.94 3cys s PHE 113 Ca -0.03 0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.77 3cys s PHE 113 Cb -0.02 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 3cys s PHE 113 CO 0.00 -0.26 1.25 0.42 -0.10 0.00 0.00 175.22 176.53 3cys s ILE 114 N 2.07 4.22 -0.21 0.64 1.01 -1.24 -4.03 121.20 123.66 3cys s ILE 114 Ca 0.05 1.52 -0.23 0.00 0.00 0.00 0.00 60.65 61.99 3cys s ILE 114 Cb -0.12 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 3cys s ILE 114 CO -0.04 -0.06 0.76 0.00 0.00 0.00 0.00 174.94 175.60 3cys n THR 116 N 4.95 2.55 -3.64 0.00 -1.04 -0.78 -0.49 114.28 115.83 3cys n THR 116 Ca 0.03 -4.59 0.01 0.00 -2.04 0.00 0.00 64.05 57.46 3cys n THR 116 Cb 0.49 -1.22 -0.01 0.00 -1.82 0.00 0.00 70.33 67.77 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 -3.61 -2.13 -1.28 2.41 0.00 -1.23 -4.31 121.76 111.61 3cys s ALA 117 Ca 0.50 0.60 -0.15 0.00 0.00 0.00 0.00 51.96 52.91 3cys s ALA 117 Cb 0.41 0.41 0.12 0.00 0.00 0.00 0.00 23.12 24.06 3cys s ALA 117 CO -0.12 -1.05 1.68 1.17 0.00 0.00 0.00 175.76 177.44 3cys n LYS 118 N -0.48 3.28 -2.89 0.00 4.81 -1.26 -3.66 118.16 117.96 3cys n LYS 118 Ca -0.08 -3.48 -0.44 0.00 -0.87 0.00 0.00 58.31 53.45 3cys n LYS 118 Cb 0.62 -3.23 -0.02 0.00 0.02 0.00 0.00 35.03 32.43 3cys n LYS 118 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3cys s THR 119 N 2.60 4.70 -0.98 3.15 -4.23 -1.26 -4.79 115.64 114.83 3cys s THR 119 Ca 0.47 -1.68 0.28 0.00 -1.18 0.00 0.00 61.69 59.58 3cys s THR 119 Cb 0.03 -4.83 0.19 0.00 1.34 0.00 0.00 72.50 69.23 3cys s THR 119 CO 0.02 -1.57 1.80 -1.84 -0.54 0.00 0.00 174.62 172.49 3cys n GLU 120 N 6.64 0.02 0.00 3.99 0.28 -1.26 -2.68 120.64 127.63 3cys n GLU 120 Ca 0.27 0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.42 3cys n GLU 120 Cb 0.48 -1.52 0.39 0.00 1.43 0.00 0.00 31.44 32.22 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 -1.56 0.00 0.73 -1.84 2.14 -1.26 -2.83 117.44 112.83 3cys n TRP 121 Ca 0.07 0.00 0.08 0.00 2.07 0.00 0.00 57.50 59.72 3cys n TRP 121 Cb 0.35 -0.12 0.04 0.00 -0.81 0.00 0.00 31.31 30.77 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 -0.61 2.09 -4.67 5.67 4.77 -1.09 -4.90 117.00 118.26 3cys n LEU 122 Ca 0.13 -0.89 -0.42 0.00 -0.03 0.00 0.00 56.01 54.79 3cys n LEU 122 Cb 0.35 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3cys n LEU 122 CO 0.25 0.38 1.24 -0.62 -1.33 0.00 0.00 177.39 177.32 3cys s ASP 123 N -1.68 6.76 0.00 -1.43 2.15 -1.13 -1.65 116.67 119.68 3cys s ASP 123 Ca 0.17 2.15 0.00 0.00 0.43 0.00 0.00 52.55 55.30 3cys s ASP 123 Cb 0.14 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3cys s ASP 123 CO 0.31 -0.83 0.00 0.61 -0.17 0.00 0.00 175.17 175.09 3cys n GLY 124 N 3.89 2.46 0.13 2.66 0.00 -1.26 -4.84 105.19 108.21 3cys n GLY 124 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 0.60 -3.21 1.61 0.00 -0.66 -4.92 118.16 109.57 3cys n LYS 125 Ca 0.00 0.37 -0.39 0.00 0.00 0.00 0.00 58.31 58.29 3cys n LYS 125 Cb 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 35.03 33.37 3cys n LYS 125 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3cys s HIS 126 N -2.46 3.77 -0.34 5.64 3.76 -0.75 -4.90 115.29 120.02 3cys s HIS 126 Ca -0.34 1.29 -0.28 0.00 -0.15 0.00 0.00 55.06 55.58 3cys s HIS 126 Cb 0.11 -2.57 0.02 0.00 1.11 0.00 0.00 32.58 31.24 3cys s HIS 126 CO 0.55 0.49 1.02 0.08 -0.85 0.00 0.00 174.74 176.03 3cys s VAL 127 N -0.77 4.53 -0.18 -0.90 1.01 -0.81 -4.79 120.40 118.49 3cys s VAL 127 Ca 0.31 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.68 3cys s VAL 127 Cb -0.19 -4.38 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 3cys s VAL 127 CO 0.19 -0.51 0.21 -0.69 0.00 0.00 0.00 175.10 174.30 3cys s VAL 128 N 3.60 5.36 0.00 2.92 1.01 -1.26 -0.52 120.40 131.51 3cys s VAL 128 Ca 0.43 0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.81 3cys s VAL 128 Cb -0.12 -3.55 0.07 0.00 0.00 0.00 0.00 36.38 32.79 3cys s VAL 128 CO 0.17 0.42 0.91 2.22 0.00 0.00 0.00 175.10 178.82 3cys n PHE 129 N 3.51 0.00 -3.92 5.22 -1.74 -1.16 -4.53 117.46 114.84 3cys n PHE 129 Ca -0.14 -0.34 -0.00 0.00 -0.56 0.00 0.00 57.45 56.41 3cys n PHE 129 Cb 0.52 0.29 0.02 0.00 1.52 0.00 0.00 39.48 41.82 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 0.08 0.48 3.60 4.97 0.00 -1.23 -2.41 105.19 110.68 3cys n GLY 130 Ca -0.13 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 3cys n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 131 N -2.03 0.80 -0.49 1.61 2.36 -0.83 -3.29 119.74 117.88 3cys s LYS 131 Ca 0.23 0.96 -0.26 0.00 -2.55 0.00 0.00 55.97 54.36 3cys s LYS 131 Cb -0.02 0.39 0.03 0.00 -1.05 0.00 0.00 37.83 37.18 3cys s LYS 131 CO 0.02 -0.10 0.97 0.08 1.55 0.00 0.00 175.35 177.88 3cys s VAL 132 N 0.39 4.39 -0.13 4.02 1.01 -0.60 -2.18 120.40 127.30 3cys s VAL 132 Ca -0.00 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.80 3cys s VAL 132 Cb -0.05 -4.49 -0.23 0.00 0.00 0.00 0.00 36.38 31.60 3cys s VAL 132 CO 0.01 -0.94 0.33 2.29 0.00 0.00 0.00 175.10 176.79 3cys n LYS 133 N 7.39 0.68 -3.76 2.72 2.85 -1.23 -4.87 118.16 121.93 3cys n LYS 133 Ca 0.06 0.20 -0.13 0.00 -1.05 0.00 0.00 58.31 57.39 3cys n LYS 133 Cb 0.48 -1.67 -0.11 0.00 -0.65 0.00 0.00 35.03 33.09 3cys n LYS 133 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3cys s GLU 134 N -2.55 0.39 0.00 -1.58 2.02 -1.25 -4.90 118.70 110.83 3cys s GLU 134 Ca -0.14 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.27 3cys s GLU 134 Cb 0.07 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.49 3cys s GLU 134 CO 0.78 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.42 3cys n GLY 135 N 2.83 0.83 0.24 -1.39 0.00 -1.26 -1.56 105.19 104.87 3cys n GLY 135 Ca -0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 3.55 0.00 0.00 1.61 -0.00 -1.90 -0.85 114.93 117.34 3cys h MET 136 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 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 -0.39 -2.95 -0.00 0.00 0.00 176.91 173.57 3cys h ASN 137 N 0.00 0.00 0.14 -0.10 -1.07 -1.98 -0.59 115.58 111.98 3cys h ASN 137 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.19 3cys h ASN 137 Cb 0.29 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.53 3cys h ASN 137 CO 0.00 0.39 -0.67 0.40 0.07 0.00 0.00 177.43 177.62 3cys h ILE 138 N 0.00 1.35 -0.66 6.14 5.03 -1.53 0.25 117.51 128.09 3cys h ILE 138 Ca -0.00 -2.00 -0.08 0.00 -0.12 0.00 0.00 64.86 62.65 3cys h ILE 138 Cb 1.06 1.98 -0.03 0.00 -3.03 0.00 0.00 36.82 36.80 3cys h ILE 138 CO 0.05 0.61 0.09 0.58 -0.68 0.00 0.00 178.15 178.80 3cys h VAL 139 N 0.35 1.26 -0.18 1.67 2.07 -1.36 -2.64 116.25 117.42 3cys h VAL 139 Ca -0.02 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.34 3cys h VAL 139 Cb 1.23 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3cys h VAL 139 CO 0.12 0.40 -0.33 -0.08 0.02 0.00 0.00 177.57 177.70 3cys h GLU 140 N 1.02 0.38 0.02 1.57 4.81 -0.95 -3.03 114.58 118.39 3cys h GLU 140 Ca 0.20 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3cys h GLU 140 Cb 0.46 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3cys h GLU 140 CO 0.02 0.66 -0.05 0.00 -0.73 0.00 0.00 179.01 178.91 3cys h ALA 141 N 1.33 -0.06 0.00 2.92 0.00 -0.59 -1.96 119.26 120.91 3cys h ALA 141 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cys h ALA 141 Cb 0.74 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3cys h ALA 141 CO 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.76 3cys n MET 142 N -5.15 0.05 -0.00 0.00 0.00 -1.09 -2.10 117.12 108.83 3cys n MET 142 Ca -0.07 0.11 -0.08 0.00 0.00 0.00 0.00 57.70 57.67 3cys n MET 142 Cb 0.09 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.68 3cys n MET 142 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 175.97 177.02 3cys h GLU 143 N 0.00 0.00 0.00 3.17 4.11 -1.26 -3.32 114.58 117.28 3cys h GLU 143 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 3cys h GLU 143 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3cys h GLU 143 CO 0.00 0.57 -0.21 0.00 0.07 0.00 0.00 179.01 179.44 3cys h ARG 144 N 0.00 0.00 -0.00 1.06 3.08 -0.82 -1.38 114.38 116.32 3cys h ARG 144 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3cys h ARG 144 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.98 3cys h ARG 144 CO 0.09 0.21 -0.06 1.19 -1.07 0.00 0.00 179.97 180.33 3cys n PHE 145 N -4.04 0.00 -0.07 3.04 3.72 -1.23 -4.79 117.46 114.10 3cys n PHE 145 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3cys n PHE 145 Cb 0.29 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3cys n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cys n GLY 146 N 1.20 -0.40 3.82 1.37 0.00 -0.52 -4.15 105.19 106.51 3cys n GLY 146 Ca 0.17 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 3cys n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cys s SER 147 N -1.00 -0.10 0.40 1.61 0.15 -1.26 -4.81 113.70 108.70 3cys s SER 147 Ca 0.00 -0.74 0.17 0.00 0.70 0.00 0.00 55.95 56.08 3cys s SER 147 Cb 0.00 0.66 0.84 0.00 -1.71 0.00 0.00 66.02 65.81 3cys s SER 147 CO 0.00 -1.26 1.85 0.08 1.20 0.00 0.00 173.24 175.10 3cys h ARG 148 N 2.00 0.00 0.00 5.44 0.11 -1.92 -0.22 114.38 119.79 3cys h ARG 148 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3cys h ARG 148 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3cys h ARG 148 CO 0.32 0.33 0.00 -2.95 0.10 0.00 0.00 179.97 177.77 3cys h ASN 149 N 0.00 0.00 -0.46 0.08 -1.07 -1.96 -3.46 115.58 108.71 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 0.66 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 3cys h ASN 149 CO 0.04 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.15 3cys n GLY 150 N -0.24 0.95 3.64 9.14 0.00 -0.09 -5.06 105.19 113.53 3cys n GLY 150 Ca 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 3cys n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cys s LYS 151 N -3.25 0.57 1.01 1.61 2.20 -1.15 -3.11 119.74 117.63 3cys s LYS 151 Ca 0.00 0.98 -0.15 0.00 -0.36 0.00 0.00 55.97 56.44 3cys s LYS 151 Cb 0.00 0.12 0.20 0.00 -1.51 0.00 0.00 37.83 36.64 3cys s LYS 151 CO 0.00 -0.12 1.19 -0.08 -0.36 0.00 0.00 175.35 175.98 3cys s THR 152 N 1.47 1.89 -0.21 3.43 -1.32 -1.26 -4.02 115.64 115.62 3cys s THR 152 Ca -0.09 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.55 3cys s THR 152 Cb -0.04 -2.76 0.51 0.00 -1.51 0.00 0.00 72.50 68.69 3cys s THR 152 CO -0.17 0.00 1.40 -1.20 -2.21 0.00 0.00 174.62 172.44 3cys n SER 153 N -4.04 3.76 0.00 8.08 7.64 -1.26 -4.97 113.62 122.83 3cys n SER 153 Ca 0.11 -2.98 0.00 0.00 1.01 0.00 0.00 58.87 57.01 3cys n SER 153 Cb 0.59 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3cys n SER 153 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3cys n LYS 154 N -0.52 2.31 -4.42 1.43 5.02 -1.26 -5.16 118.16 115.56 3cys n LYS 154 Ca 0.21 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.28 3cys n LYS 154 Cb 0.86 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.71 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 3.41 1.10 -0.17 1.97 -2.85 -1.26 -5.06 119.74 116.89 3cys s LYS 155 Ca 0.00 -0.31 0.01 0.00 -1.00 0.00 0.00 55.97 54.67 3cys s LYS 155 Cb 0.00 -1.00 0.01 0.00 -2.06 0.00 0.00 37.83 34.78 3cys s LYS 155 CO 0.00 0.08 -0.18 0.42 0.10 0.00 0.00 175.35 175.77 3cys s ILE 156 N 0.34 2.28 0.01 3.79 -1.09 -1.26 -1.55 121.20 123.72 3cys s ILE 156 Ca -0.06 -0.88 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 3cys s ILE 156 Cb -0.11 -1.95 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 3cys s ILE 156 CO 0.01 0.53 -0.06 0.42 -1.23 0.00 0.00 174.94 174.61 3cys s THR 157 N 1.08 0.43 -0.41 2.92 -4.23 -0.96 -3.51 115.64 110.95 3cys s THR 157 Ca -0.00 -0.45 -0.22 0.00 -1.18 0.00 0.00 61.69 59.84 3cys s THR 157 Cb -0.14 -0.40 0.02 0.00 1.34 0.00 0.00 72.50 73.31 3cys s THR 157 CO -0.07 -0.02 0.74 -0.63 -0.54 0.00 0.00 174.62 174.10 3cys s ILE 158 N -0.46 4.73 0.03 2.99 1.01 -1.26 -1.94 121.20 126.31 3cys s ILE 158 Ca -0.01 0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 3cys s ILE 158 Cb -0.04 -4.24 -0.17 0.00 0.01 0.00 0.00 42.46 38.02 3cys s ILE 158 CO -0.00 -0.57 1.35 0.00 0.00 0.00 0.00 174.94 175.73 3cys h ALA 159 N 8.76 -0.80 -2.37 9.38 0.00 -1.91 -3.44 119.26 128.88 3cys h ALA 159 Ca -0.25 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.57 3cys h ALA 159 Cb 1.09 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 3cys h ALA 159 CO 0.92 -0.86 0.46 0.16 0.00 0.00 0.00 179.25 179.93 3cys s ASP 160 N -4.59 -0.34 0.34 0.00 1.47 -1.26 -5.03 116.67 107.25 3cys s ASP 160 Ca -0.16 -0.10 0.03 0.00 1.18 0.00 0.00 52.55 53.50 3cys s ASP 160 Cb 0.02 0.43 -0.01 0.00 -0.34 0.00 0.00 42.92 43.03 3cys s ASP 160 CO 0.54 -0.72 0.38 0.00 0.68 0.00 0.00 175.17 176.05 3cys n GLY 162 N -0.59 -1.69 3.45 0.00 0.00 -0.94 -4.86 105.19 100.56 3cys n GLY 162 Ca 0.04 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.64 2.25 -1.36 1.61 0.74 -1.26 -1.54 119.66 118.46 3cys s GLN 163 Ca 0.00 -0.87 -0.12 0.00 0.05 0.00 0.00 55.36 54.43 3cys s GLN 163 Cb 0.00 -2.25 0.11 0.00 1.10 0.00 0.00 33.01 31.96 3cys s GLN 163 CO 0.00 0.57 2.03 1.28 -0.55 0.00 0.00 175.29 178.62 3cys n LEU 164 N 1.90 6.68 0.00 3.68 4.77 -0.26 -4.95 117.00 128.82 3cys n LEU 164 Ca -0.16 -4.39 0.00 0.00 -0.03 0.00 0.00 56.01 51.42 3cys n LEU 164 Cb 0.52 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 3cys n LEU 164 CO 0.26 1.21 0.25 -1.84 -1.33 0.00 0.00 177.39 175.94