#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsf n LEU 2 N 0.00 0.00 -0.67 3.17 4.77 -1.26 -5.09 117.00 117.92 1wsf n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wsf n LEU 2 Cb 0.00 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1wsf n LEU 2 CO 0.00 0.23 0.00 1.17 -1.33 0.00 0.00 177.39 177.46 1wsf n LYS 3 N -2.37 0.00 -2.04 3.23 3.00 -1.26 -4.23 118.16 114.48 1wsf n LYS 3 Ca -0.17 0.42 -0.40 0.00 -0.00 0.00 0.00 58.31 58.17 1wsf n LYS 3 Cb 0.78 -0.25 -0.01 0.00 0.00 0.00 0.00 35.03 35.56 1wsf n LYS 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1wsf s GLN 4 N -2.31 3.99 -0.08 1.64 0.74 -1.26 -1.71 119.66 120.66 1wsf s GLN 4 Ca 0.00 2.18 -0.07 0.00 0.05 0.00 0.00 55.36 57.52 1wsf s GLN 4 Cb 0.00 -2.78 0.02 0.00 1.10 0.00 0.00 33.01 31.35 1wsf s GLN 4 CO 0.00 -0.48 0.21 0.08 -0.55 0.00 0.00 175.29 174.55 1wsf s VAL 5 N -1.25 -0.00 -0.12 1.34 1.01 0.37 -4.80 120.40 116.94 1wsf s VAL 5 Ca 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 1wsf s VAL 5 Cb -0.38 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1wsf s VAL 5 CO 0.50 0.01 -0.05 -1.61 0.00 0.00 0.00 175.10 173.95 1wsf s GLU 6 N 0.23 3.31 -0.04 2.72 8.01 -1.26 -1.50 118.70 130.16 1wsf s GLU 6 Ca -0.01 -0.52 0.04 0.00 0.01 0.00 0.00 54.97 54.49 1wsf s GLU 6 Cb -0.02 -2.79 -0.00 0.00 -4.31 0.00 0.00 34.13 27.00 1wsf s GLU 6 CO -0.01 0.42 -0.18 0.42 0.01 0.00 0.00 175.26 175.93 1wsf s ILE 7 N -0.14 1.47 -0.04 -1.63 1.01 -0.31 -0.71 121.20 120.85 1wsf s ILE 7 Ca 0.02 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.98 1wsf s ILE 7 Cb -0.13 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.08 1wsf s ILE 7 CO 0.03 0.42 -0.17 -0.36 0.00 0.00 0.00 174.94 174.85 1wsf s PHE 8 N 0.01 1.72 0.10 3.97 0.08 -0.59 -0.89 117.98 122.38 1wsf s PHE 8 Ca -0.03 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.47 1wsf s PHE 8 Cb -0.11 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 1wsf s PHE 8 CO 0.02 -0.17 0.11 0.95 -0.10 0.00 0.00 175.22 176.03 1wsf s THR 9 N 0.05 0.14 -0.29 0.64 -4.23 -1.03 -0.88 115.64 110.04 1wsf s THR 9 Ca -0.04 -1.56 -0.24 0.00 -1.18 0.00 0.00 61.69 58.67 1wsf s THR 9 Cb -0.12 -1.64 0.16 0.00 1.34 0.00 0.00 72.50 72.24 1wsf s THR 9 CO 0.02 -0.65 1.20 -0.62 -0.54 0.00 0.00 174.62 174.04 1wsf s ASP 10 N -2.94 -0.27 -0.18 3.99 3.68 -0.88 -4.58 116.67 115.50 1wsf s ASP 10 Ca 0.12 0.51 0.01 0.00 2.13 0.00 0.00 52.55 55.32 1wsf s ASP 10 Cb 0.06 0.62 0.03 0.00 -1.45 0.00 0.00 42.92 42.17 1wsf s ASP 10 CO -0.06 -0.09 -0.17 -0.83 0.13 0.00 0.00 175.17 174.16 1wsf s GLY 11 N 0.31 1.30 0.12 2.66 0.00 -1.26 -1.27 107.32 109.18 1wsf s GLY 11 Ca 0.03 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.65 1wsf s GLY 11 CO -0.11 0.42 0.12 -1.35 0.00 0.00 0.00 173.10 172.19 1wsf s SER 12 N 1.36 5.63 -0.08 1.64 1.04 -0.77 -4.69 113.70 117.83 1wsf s SER 12 Ca 0.04 -0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 1wsf s SER 12 Cb -0.14 -1.52 0.02 0.00 0.10 0.00 0.00 66.02 64.48 1wsf s SER 12 CO -0.11 0.12 0.25 0.00 0.98 0.00 0.00 173.24 174.47 1wsf n LEU 14 N 2.71 0.96 0.00 0.00 4.77 -0.42 -4.93 117.00 120.09 1wsf n LEU 14 Ca -0.14 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1wsf n LEU 14 Cb 0.58 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1wsf n LEU 14 CO 0.18 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1wsf n GLY 15 N 1.22 0.82 2.97 -0.72 0.00 -1.26 -4.91 105.19 103.31 1wsf n GLY 15 Ca 0.17 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1wsf n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wsf s ASN 16 N 0.00 4.51 0.53 1.61 4.22 -1.26 -1.61 114.94 122.93 1wsf s ASN 16 Ca 0.00 -2.57 -0.04 0.00 -2.14 0.00 0.00 52.86 48.11 1wsf s ASN 16 Cb 0.00 -1.60 -0.00 0.00 1.28 0.00 0.00 41.25 40.92 1wsf s ASN 16 CO 0.00 -0.31 0.81 -2.16 -2.04 0.00 0.00 177.10 173.40 1wsf s PRO 17 N 0.33 3.09 -0.03 3.55 0.04 -1.26 -5.11 135.00 135.61 1wsf s PRO 17 Ca 0.14 -0.11 -0.11 0.00 0.04 0.00 0.00 61.00 60.97 1wsf s PRO 17 Cb -0.22 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1wsf s PRO 17 CO -0.04 -0.47 0.48 0.41 0.04 0.00 0.00 177.00 177.42 1wsf n GLY 18 N -2.37 0.31 3.71 0.56 0.00 -0.52 -4.87 105.19 102.02 1wsf n GLY 18 Ca 0.03 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1wsf n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wsf s PRO 19 N -2.00 4.22 0.25 1.61 0.02 -0.95 -0.28 135.00 137.87 1wsf s PRO 19 Ca 0.11 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.49 1wsf s PRO 19 Cb -0.00 -3.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 1wsf s PRO 19 CO -0.01 -0.62 0.08 0.20 -0.33 0.00 0.00 177.00 176.32 1wsf s GLY 20 N 1.36 1.68 0.21 0.52 0.00 -0.58 -1.31 107.32 109.21 1wsf s GLY 20 Ca 0.70 -1.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.48 1wsf s GLY 20 CO 0.31 -1.59 0.38 -0.32 0.00 0.00 0.00 173.10 171.88 1wsf s GLY 21 N -3.30 0.58 0.06 0.20 0.00 -0.19 -0.19 107.32 104.48 1wsf s GLY 21 Ca 0.36 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 44.20 1wsf s GLY 21 CO 0.12 -0.75 -0.13 -2.52 0.00 0.00 0.00 173.10 169.82 1wsf s TYR 22 N -4.01 1.16 -0.05 1.90 -0.85 -1.05 -1.84 117.35 112.60 1wsf s TYR 22 Ca 0.22 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 1wsf s TYR 22 Cb 0.01 -0.67 0.02 0.00 0.38 0.00 0.00 41.96 41.71 1wsf s TYR 22 CO 0.06 0.04 -0.02 0.20 -1.52 0.00 0.00 175.55 174.30 1wsf s GLY 23 N -1.48 0.45 0.03 5.49 0.00 -0.40 -3.34 107.32 108.07 1wsf s GLY 23 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1wsf s GLY 23 CO 0.02 0.74 -0.06 0.00 0.00 0.00 0.00 173.10 173.80 1wsf s ALA 24 N 1.36 0.38 -0.02 3.20 0.00 -0.86 -2.06 121.76 123.75 1wsf s ALA 24 Ca -0.04 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1wsf s ALA 24 Cb -0.13 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 1wsf s ALA 24 CO -0.02 -0.09 -0.12 0.42 0.00 0.00 0.00 175.76 175.95 1wsf s ILE 25 N -1.47 0.99 -0.14 0.00 1.01 -0.06 -0.69 121.20 120.84 1wsf s ILE 25 Ca -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1wsf s ILE 25 Cb -0.10 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.54 1wsf s ILE 25 CO -0.00 0.29 -0.17 -0.22 0.00 0.00 0.00 174.94 174.84 1wsf s LEU 26 N 0.01 1.87 0.00 2.97 2.96 -0.75 -1.54 118.68 124.20 1wsf s LEU 26 Ca -0.01 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1wsf s LEU 26 Cb -0.08 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.35 1wsf s LEU 26 CO 0.01 0.01 0.00 -1.14 -1.32 0.00 0.00 176.35 173.91 1wsf n ARG 27 N 4.38 3.10 0.00 1.98 0.63 0.12 -1.76 116.66 125.11 1wsf n ARG 27 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1wsf n ARG 27 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1wsf n ARG 27 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1wsf n TYR 28 N 0.00 0.00 0.00 -0.14 4.01 -1.26 -4.66 117.16 115.11 1wsf n TYR 28 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wsf n TYR 28 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1wsf n TYR 28 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1wsf n ARG 29 N 0.00 0.00 0.00 -0.72 3.00 -1.26 -4.71 116.66 112.97 1wsf n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1wsf n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1wsf n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wsf n GLY 30 N 0.00 2.29 0.00 5.14 0.00 -1.26 -5.10 105.19 106.25 1wsf n GLY 30 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1wsf n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wsf n ARG 31 N 0.00 0.96 -3.65 1.61 3.00 -1.26 -5.13 116.66 112.19 1wsf n ARG 31 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1wsf n ARG 31 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1wsf n ARG 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1wsf s GLU 32 N -0.65 0.27 0.14 -0.14 -6.30 -1.26 -4.01 118.70 106.75 1wsf s GLU 32 Ca 0.00 0.47 0.11 0.00 -2.50 0.00 0.00 54.97 53.05 1wsf s GLU 32 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 34.13 34.14 1wsf s GLU 32 CO 0.00 -0.06 -0.26 0.15 0.02 0.00 0.00 175.26 175.12 1wsf s LYS 33 N 1.24 1.45 0.11 4.30 -0.14 -0.72 -5.00 119.74 120.98 1wsf s LYS 33 Ca -0.09 -1.38 0.10 0.00 -1.36 0.00 0.00 55.97 53.24 1wsf s LYS 33 Cb -0.03 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1wsf s LYS 33 CO -0.13 0.44 -0.22 0.99 -0.76 0.00 0.00 175.35 175.66 1wsf s THR 34 N -1.22 2.55 0.13 2.17 2.01 -1.26 -1.81 115.64 118.21 1wsf s THR 34 Ca 0.16 -1.59 0.06 0.00 0.31 0.00 0.00 61.69 60.63 1wsf s THR 34 Cb -0.10 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1wsf s THR 34 CO 0.07 0.13 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.63 1wsf s PHE 35 N -1.08 1.40 0.00 4.92 0.08 0.13 -5.00 117.98 118.44 1wsf s PHE 35 Ca 0.16 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.63 1wsf s PHE 35 Cb -0.10 -0.72 0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1wsf s PHE 35 CO 0.08 0.15 0.00 -1.13 -0.10 0.00 0.00 175.22 174.21 1wsf n SER 36 N 0.41 0.00 -3.54 1.36 3.41 -1.26 -2.04 113.62 111.96 1wsf n SER 36 Ca -0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.29 1wsf n SER 36 Cb 0.58 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1wsf n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wsf s ALA 37 N -1.08 -1.72 0.07 7.33 0.00 -1.21 -5.00 121.76 120.15 1wsf s ALA 37 Ca 0.00 1.32 0.08 0.00 0.00 0.00 0.00 51.96 53.36 1wsf s ALA 37 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1wsf s ALA 37 CO 0.00 -0.36 -0.18 0.20 0.00 0.00 0.00 175.76 175.42 1wsf s GLY 38 N -1.07 1.61 0.10 0.00 0.00 -1.26 -2.54 107.32 104.17 1wsf s GLY 38 Ca -0.10 -1.25 0.09 0.00 0.00 0.00 0.00 44.72 43.45 1wsf s GLY 38 CO 0.09 -1.17 -0.22 -0.19 0.00 0.00 0.00 173.10 171.61 1wsf s TYR 39 N -1.00 1.87 0.10 1.90 1.51 0.74 -1.97 117.35 120.49 1wsf s TYR 39 Ca 0.16 -0.41 -0.19 0.00 -1.01 0.00 0.00 57.07 55.62 1wsf s TYR 39 Cb -0.10 -1.03 -0.07 0.00 -0.11 0.00 0.00 41.96 40.65 1wsf s TYR 39 CO 0.07 0.22 1.63 1.79 -1.11 0.00 0.00 175.55 178.15 1wsf h THR 40 N 4.06 1.18 -3.27 -0.71 1.35 -1.75 -1.54 112.91 112.23 1wsf h THR 40 Ca -0.47 -0.56 -0.42 0.00 -0.55 0.00 0.00 66.41 64.42 1wsf h THR 40 Cb 1.18 1.10 -0.38 0.00 -1.73 0.00 0.00 68.15 68.31 1wsf h THR 40 CO 0.40 0.18 -0.76 -0.60 -0.25 0.00 0.00 175.52 174.49 1wsf s ARG 41 N -5.49 0.38 0.01 4.72 6.06 -1.26 -2.25 118.95 121.12 1wsf s ARG 41 Ca -0.14 0.19 -0.00 0.00 -2.50 0.00 0.00 55.73 53.28 1wsf s ARG 41 Cb 0.08 -0.84 0.00 0.00 0.06 0.00 0.00 34.95 34.25 1wsf s ARG 41 CO 0.72 -0.32 0.02 -2.37 -2.50 0.00 0.00 175.30 170.85 1wsf n THR 42 N 5.20 0.00 -4.19 4.11 5.66 0.62 -4.37 114.28 121.30 1wsf n THR 42 Ca -0.06 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.81 1wsf n THR 42 Cb 0.50 0.02 -0.10 0.00 -1.55 0.00 0.00 70.33 69.19 1wsf n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wsf s THR 43 N -2.77 0.66 0.18 1.09 -4.23 -1.26 -1.44 115.64 107.86 1wsf s THR 43 Ca 0.00 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 1wsf s THR 43 Cb -0.00 -1.84 0.09 0.00 1.34 0.00 0.00 72.50 72.09 1wsf s THR 43 CO 0.00 -0.73 1.73 -1.13 -0.54 0.00 0.00 174.62 173.95 1wsf h ASN 44 N 2.88 0.05 -0.82 3.99 -1.24 -1.88 -1.69 115.58 116.88 1wsf h ASN 44 Ca -0.36 0.08 0.04 0.00 0.71 0.00 0.00 56.30 56.77 1wsf h ASN 44 Cb 1.18 0.09 -0.05 0.00 0.73 0.00 0.00 38.32 40.27 1wsf h ASN 44 CO 0.64 0.06 0.52 0.78 -1.29 0.00 0.00 177.43 178.13 1wsf h ASN 45 N 0.26 0.84 -0.29 1.15 -0.26 -1.97 0.36 115.58 115.67 1wsf h ASN 45 Ca 0.23 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.85 1wsf h ASN 45 Cb 0.29 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 1wsf h ASN 45 CO -0.29 0.57 -0.28 0.03 -1.06 0.00 0.00 177.43 176.40 1wsf h ARG 46 N 0.98 0.79 -0.10 0.81 3.08 -1.82 -2.54 114.38 115.59 1wsf h ARG 46 Ca 0.34 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1wsf h ARG 46 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1wsf h ARG 46 CO -0.13 0.97 -0.26 0.52 -1.07 0.00 0.00 179.97 180.00 1wsf h MET 47 N 0.67 0.17 -0.20 0.04 2.86 -0.54 -0.79 114.93 117.15 1wsf h MET 47 Ca 0.08 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.49 1wsf h MET 47 Cb 0.81 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1wsf h MET 47 CO 0.07 0.42 -0.58 0.93 1.06 0.00 0.00 176.91 178.81 1wsf h GLU 48 N 0.16 0.74 0.33 1.72 5.08 -0.78 -1.54 114.58 120.29 1wsf h GLU 48 Ca 0.03 -0.53 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1wsf h GLU 48 Cb 0.54 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1wsf h GLU 48 CO 0.04 1.15 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.98 1wsf h LEU 49 N 0.46 -0.37 -1.04 1.33 3.38 -1.25 -2.87 115.31 114.95 1wsf h LEU 49 Ca -0.02 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.06 1wsf h LEU 49 Cb 1.20 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.95 1wsf h LEU 49 CO 0.12 -0.18 0.62 -0.03 0.09 0.00 0.00 178.44 179.07 1wsf h MET 50 N -0.55 0.82 0.06 1.13 4.05 -1.17 0.62 114.93 119.90 1wsf h MET 50 Ca -0.04 -0.05 0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1wsf h MET 50 Cb 0.41 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 30.98 1wsf h MET 50 CO 0.07 0.54 -0.24 0.00 0.23 0.00 0.00 176.91 177.52 1wsf h ALA 51 N 1.60 -0.36 -0.53 0.39 0.00 -1.06 0.35 119.26 119.65 1wsf h ALA 51 Ca 0.53 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 1wsf h ALA 51 Cb 0.73 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1wsf h ALA 51 CO -0.32 -0.76 -0.05 0.00 0.00 0.00 0.00 179.25 178.13 1wsf h ALA 52 N 0.39 0.92 0.97 0.00 0.00 -1.16 -2.95 119.26 117.43 1wsf h ALA 52 Ca 0.04 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1wsf h ALA 52 Cb 0.46 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1wsf h ALA 52 CO -0.17 0.64 -0.46 0.82 0.00 0.00 0.00 179.25 180.07 1wsf h ILE 53 N 0.85 0.05 -0.72 0.00 2.04 -0.43 -1.34 117.51 117.97 1wsf h ILE 53 Ca 0.15 -0.01 0.16 0.00 1.00 0.00 0.00 64.86 66.16 1wsf h ILE 53 Cb 0.57 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.58 1wsf h ILE 53 CO 0.03 0.00 0.12 0.58 0.00 0.00 0.00 178.15 178.89 1wsf h VAL 54 N -1.30 0.48 -0.13 1.67 2.07 -0.99 -0.20 116.25 117.85 1wsf h VAL 54 Ca -0.13 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1wsf h VAL 54 Cb 0.99 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1wsf h VAL 54 CO 0.22 0.04 -0.37 0.00 0.02 0.00 0.00 177.57 177.48 1wsf h ALA 55 N 1.62 1.13 0.07 1.67 0.00 -1.43 -3.06 119.26 119.26 1wsf h ALA 55 Ca 0.40 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1wsf h ALA 55 Cb 0.69 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.41 1wsf h ALA 55 CO -0.54 0.57 -1.02 -0.07 0.00 0.00 0.00 179.25 178.19 1wsf h LEU 56 N 0.24 0.77 -0.57 0.00 3.38 0.03 -3.19 115.31 115.98 1wsf h LEU 56 Ca 0.03 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.19 1wsf h LEU 56 Cb 0.76 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wsf h LEU 56 CO 0.06 1.49 0.00 -0.62 0.09 0.00 0.00 178.44 179.46 1wsf n GLU 57 N -3.93 0.12 0.22 1.13 1.02 -0.23 -1.72 120.64 117.25 1wsf n GLU 57 Ca -0.12 0.42 0.10 0.00 -0.02 0.00 0.00 57.16 57.53 1wsf n GLU 57 Cb 0.88 -1.76 0.47 0.00 -0.02 0.00 0.00 31.44 31.01 1wsf n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wsf h ALA 58 N 2.26 1.04 -2.35 0.62 0.00 -1.52 -3.43 119.26 115.88 1wsf h ALA 58 Ca 0.00 -0.20 -0.54 0.00 0.00 0.00 0.00 54.91 54.16 1wsf h ALA 58 Cb 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wsf h ALA 58 CO 0.00 0.28 0.90 -0.51 0.00 0.00 0.00 179.25 179.92 1wsf s LEU 59 N -6.83 4.31 0.00 0.00 1.43 -0.70 -4.91 118.68 112.00 1wsf s LEU 59 Ca 0.00 2.15 0.23 0.00 -1.03 0.00 0.00 54.13 55.48 1wsf s LEU 59 Cb 0.10 -3.56 0.74 0.00 0.03 0.00 0.00 46.19 43.50 1wsf s LEU 59 CO 0.63 -0.77 1.55 0.29 0.23 0.00 0.00 176.35 178.28 1wsf n LYS 60 N 5.74 1.87 -3.99 1.70 4.76 -1.26 -4.93 118.16 122.04 1wsf n LYS 60 Ca 0.14 -1.29 -0.09 0.00 -2.87 0.00 0.00 58.31 54.20 1wsf n LYS 60 Cb 0.43 -1.44 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 1wsf n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wsf s GLU 61 N -1.82 1.58 0.18 1.97 1.03 -1.26 -5.13 118.70 115.25 1wsf s GLU 61 Ca 0.34 -1.24 -0.31 0.00 0.03 0.00 0.00 54.97 53.80 1wsf s GLU 61 Cb 0.19 0.48 -0.09 0.00 -0.80 0.00 0.00 34.13 33.92 1wsf s GLU 61 CO 0.29 -0.67 1.40 -1.01 -1.33 0.00 0.00 175.26 173.94 1wsf s HIS 62 N -3.98 3.17 0.18 4.83 3.76 -1.26 -4.94 115.29 117.06 1wsf s HIS 62 Ca 0.22 1.01 -0.01 0.00 -0.15 0.00 0.00 55.06 56.12 1wsf s HIS 62 Cb -0.01 -3.72 -0.04 0.00 1.11 0.00 0.00 32.58 29.92 1wsf s HIS 62 CO 0.09 -2.43 0.12 0.00 -0.85 0.00 0.00 174.74 171.67 1wsf s GLU 64 N -4.13 3.06 -0.10 0.00 2.12 -0.70 -1.31 118.70 117.65 1wsf s GLU 64 Ca 0.35 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1wsf s GLU 64 Cb 0.07 -4.12 -0.02 0.00 0.26 0.00 0.00 34.13 30.32 1wsf s GLU 64 CO 0.09 -1.14 -0.10 0.08 -0.54 0.00 0.00 175.26 173.65 1wsf s VAL 65 N 2.18 3.40 -0.39 3.70 1.01 -0.16 0.14 120.40 130.28 1wsf s VAL 65 Ca 0.10 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1wsf s VAL 65 Cb -0.22 -2.41 0.09 0.00 0.00 0.00 0.00 36.38 33.85 1wsf s VAL 65 CO 0.09 0.56 0.18 -0.51 0.00 0.00 0.00 175.10 175.42 1wsf s ILE 66 N -0.23 3.51 -0.30 2.22 1.10 -0.56 -0.53 121.20 126.40 1wsf s ILE 66 Ca 0.02 -1.72 -0.11 0.00 -0.51 0.00 0.00 60.65 58.33 1wsf s ILE 66 Cb -0.13 -3.25 -0.03 0.00 0.15 0.00 0.00 42.46 39.21 1wsf s ILE 66 CO 0.03 -0.52 0.18 -0.22 -2.11 0.00 0.00 174.94 172.30 1wsf s LEU 67 N 1.25 4.14 -0.20 8.50 0.20 -0.65 -1.16 118.68 130.76 1wsf s LEU 67 Ca 0.04 -0.30 -0.07 0.00 0.69 0.00 0.00 54.13 54.49 1wsf s LEU 67 Cb -0.22 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.43 1wsf s LEU 67 CO -0.02 -0.15 0.04 -0.55 -0.29 0.00 0.00 176.35 175.39 1wsf s SER 68 N 1.69 5.30 -0.01 3.68 0.15 -0.07 -0.74 113.70 123.69 1wsf s SER 68 Ca 0.06 -0.05 -0.17 0.00 0.70 0.00 0.00 55.95 56.49 1wsf s SER 68 Cb -0.17 -1.91 0.03 0.00 -1.71 0.00 0.00 66.02 62.26 1wsf s SER 68 CO 0.09 0.11 0.36 0.28 1.20 0.00 0.00 173.24 175.28 1wsf s THR 69 N 0.73 0.05 -1.72 6.45 -1.32 -0.98 -2.47 115.64 116.38 1wsf s THR 69 Ca 0.02 -0.43 0.19 0.00 -1.21 0.00 0.00 61.69 60.25 1wsf s THR 69 Cb -0.14 -0.70 0.48 0.00 -1.51 0.00 0.00 72.50 70.63 1wsf s THR 69 CO 0.02 -0.24 1.39 -0.90 -2.21 0.00 0.00 174.62 172.69 1wsf n ASP 70 N 1.14 3.46 -4.62 8.08 5.75 -1.26 -1.77 116.55 127.33 1wsf n ASP 70 Ca -0.21 -1.97 -0.43 0.00 -0.01 0.00 0.00 54.79 52.17 1wsf n ASP 70 Cb 0.57 -0.34 -0.02 0.00 -1.03 0.00 0.00 41.12 40.29 1wsf n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wsf s SER 71 N -1.09 6.65 0.42 -1.12 0.15 -1.26 -4.88 113.70 112.57 1wsf s SER 71 Ca 0.38 1.00 0.23 0.00 0.70 0.00 0.00 55.95 58.26 1wsf s SER 71 Cb 0.20 -2.54 0.79 0.00 -1.71 0.00 0.00 66.02 62.76 1wsf s SER 71 CO 0.27 -1.14 1.77 1.56 1.20 0.00 0.00 173.24 176.90 1wsf h GLN 72 N 9.35 0.00 -0.19 5.44 4.20 -1.95 -2.47 115.11 129.49 1wsf h GLN 72 Ca -0.25 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 1wsf h GLN 72 Cb 1.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.86 1wsf h GLN 72 CO 1.06 0.24 -0.22 -0.92 -0.67 0.00 0.00 178.83 178.31 1wsf h TYR 73 N 0.00 0.59 -0.45 2.96 3.20 -1.99 -1.91 116.97 119.37 1wsf h TYR 73 Ca -0.00 -0.19 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 1wsf h TYR 73 Cb 0.84 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 1wsf h TYR 73 CO 0.00 0.87 -0.06 0.28 -1.64 0.00 0.00 178.16 177.60 1wsf h VAL 74 N 0.15 1.27 0.20 1.81 2.07 -1.92 -3.05 116.25 116.78 1wsf h VAL 74 Ca 0.03 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1wsf h VAL 74 Cb 0.78 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1wsf h VAL 74 CO 0.05 0.40 -0.33 -0.09 0.02 0.00 0.00 177.57 177.62 1wsf h ARG 75 N 0.68 -0.59 0.00 1.57 2.43 -1.40 -1.01 114.38 116.05 1wsf h ARG 75 Ca 0.12 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1wsf h ARG 75 Cb 0.59 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1wsf h ARG 75 CO 0.04 -0.39 0.04 1.96 -1.51 0.00 0.00 179.97 180.10 1wsf h GLN 76 N -0.61 0.00 0.00 0.20 4.20 -1.37 -1.50 115.11 116.03 1wsf h GLN 76 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1wsf h GLN 76 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1wsf h GLN 76 CO -0.14 0.00 -0.22 0.78 -0.67 0.00 0.00 178.83 178.58 1wsf h GLY 77 N 0.00 0.00 -0.26 3.46 0.00 -1.26 -2.81 103.07 102.19 1wsf h GLY 77 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1wsf h GLY 77 CO 0.00 0.00 -0.19 -2.22 0.00 0.00 0.00 176.54 174.13 1wsf h ILE 78 N -0.95 0.34 -0.00 2.60 1.08 -1.06 -0.95 117.51 118.56 1wsf h ILE 78 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1wsf h ILE 78 Cb 0.22 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 1wsf h ILE 78 CO 0.00 0.00 -0.05 0.35 -0.69 0.00 0.00 178.15 177.76 1wsf n THR 79 N -5.43 0.00 0.00 -0.27 -2.24 -0.58 -4.72 114.28 101.04 1wsf n THR 79 Ca 0.07 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1wsf n THR 79 Cb 0.33 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1wsf n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsf n GLN 80 N -1.07 0.00 0.16 -0.78 6.02 -0.46 -5.02 117.38 116.22 1wsf n GLN 80 Ca 0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.98 1wsf n GLN 80 Cb 0.25 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.42 1wsf n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1wsf h TRP 81 N 0.00 -1.37 -1.12 1.08 6.55 -1.38 -3.10 115.95 116.62 1wsf h TRP 81 Ca 0.00 0.03 0.39 0.00 0.95 0.00 0.00 58.89 60.26 1wsf h TRP 81 Cb 0.00 0.57 -0.12 0.00 -0.86 0.00 0.00 29.16 28.75 1wsf h TRP 81 CO 0.00 -0.59 0.71 1.51 -1.05 0.00 0.00 178.44 179.02 1wsf n ILE 82 N -5.50 -0.23 -0.07 1.49 3.06 -0.60 -0.55 119.36 116.97 1wsf n ILE 82 Ca -0.09 1.53 -0.18 0.00 -2.50 0.00 0.00 62.75 61.51 1wsf n ILE 82 Cb 0.41 -2.51 -0.13 0.00 0.54 0.00 0.00 39.64 37.96 1wsf n ILE 82 CO 0.00 0.00 0.00 -0.74 -2.50 0.00 0.00 176.55 173.31 1wsf h HIS 83 N 0.00 0.09 0.00 9.51 2.76 -1.76 -3.10 115.15 122.65 1wsf h HIS 83 Ca 0.73 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.84 1wsf h HIS 83 Cb 2.32 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 31.27 1wsf h HIS 83 CO -0.01 1.27 -0.02 -0.91 -1.30 0.00 0.00 177.93 176.96 1wsf h ASN 84 N -0.88 0.00 0.03 3.26 2.35 -0.85 -2.69 115.58 116.79 1wsf h ASN 84 Ca -0.17 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1wsf h ASN 84 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1wsf h ASN 84 CO -0.06 0.02 -0.01 -0.50 -1.65 0.00 0.00 177.43 175.23 1wsf h TRP 85 N 0.00 -0.03 -1.39 1.19 6.55 -0.94 -3.35 115.95 117.97 1wsf h TRP 85 Ca -0.00 -0.00 0.40 0.00 0.95 0.00 0.00 58.89 60.24 1wsf h TRP 85 Cb 0.08 0.01 -0.06 0.00 -0.86 0.00 0.00 29.16 28.34 1wsf h TRP 85 CO 0.00 -0.02 1.06 -0.22 -1.05 0.00 0.00 178.44 178.21 1wsf h LYS 86 N -0.46 0.00 -1.53 0.49 3.64 -1.48 0.16 116.57 117.39 1wsf h LYS 86 Ca -0.00 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.91 1wsf h LYS 86 Cb 0.03 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 31.66 1wsf h LYS 86 CO 0.01 0.00 0.56 0.00 -2.27 0.00 0.00 179.45 177.74 1wsf n ALA 87 N -2.74 5.76 -2.20 5.00 0.00 -1.02 -4.02 120.51 121.29 1wsf n ALA 87 Ca 0.31 -2.51 -0.00 0.00 0.00 0.00 0.00 53.44 51.24 1wsf n ALA 87 Cb 1.50 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1wsf n ALA 87 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wsf n ARG 88 N 0.11 0.03 -3.48 0.00 1.85 0.56 -5.00 116.66 110.74 1wsf n ARG 88 Ca 0.43 -0.04 -0.22 0.00 -1.00 0.00 0.00 57.85 57.02 1wsf n ARG 88 Cb 0.57 0.17 0.04 0.00 -1.05 0.00 0.00 32.46 32.19 1wsf n ARG 88 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wsf n GLY 89 N -0.04 -1.10 3.44 2.89 0.00 -1.24 -3.24 105.19 105.90 1wsf n GLY 89 Ca -0.01 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 1wsf n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wsf n TRP 90 N -3.47 -0.09 -4.05 1.61 7.02 -1.17 -4.89 117.44 112.40 1wsf n TRP 90 Ca -0.09 0.01 -0.03 0.00 -1.02 0.00 0.00 57.50 56.38 1wsf n TRP 90 Cb 0.59 -0.15 -0.01 0.00 -2.42 0.00 0.00 31.31 29.32 1wsf n TRP 90 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1wsf n LYS 91 N -1.02 0.98 -2.52 -0.99 5.02 -1.20 -3.98 118.16 114.45 1wsf n LYS 91 Ca -0.01 -0.36 -0.05 0.00 -2.02 0.00 0.00 58.31 55.87 1wsf n LYS 91 Cb 0.03 0.19 -0.02 0.00 -0.02 0.00 0.00 35.03 35.21 1wsf n LYS 91 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wsf n THR 92 N -0.10 0.00 -0.13 -0.18 -2.24 -0.40 -4.72 114.28 106.51 1wsf n THR 92 Ca -0.01 -0.56 0.27 0.00 -2.27 0.00 0.00 64.05 61.48 1wsf n THR 92 Cb 0.06 0.27 0.57 0.00 -2.10 0.00 0.00 70.33 69.13 1wsf n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsf h ALA 93 N 1.24 2.71 -0.35 6.98 0.00 -1.98 0.77 119.26 128.64 1wsf h ALA 93 Ca -0.06 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1wsf h ALA 93 Cb 0.28 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1wsf h ALA 93 CO 0.08 -1.40 -0.01 -0.40 0.00 0.00 0.00 179.25 177.52 1wsf n ASP 94 N -3.44 3.01 -1.25 0.00 3.85 -1.26 -4.94 116.55 112.52 1wsf n ASP 94 Ca 0.19 -3.50 -0.12 0.00 -0.71 0.00 0.00 54.79 50.64 1wsf n ASP 94 Cb 1.23 -0.61 -0.05 0.00 -1.35 0.00 0.00 41.12 40.34 1wsf n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wsf n LYS 95 N -0.92 -1.38 -4.03 0.11 4.76 0.27 -4.94 118.16 112.02 1wsf n LYS 95 Ca 0.30 0.77 -0.22 0.00 -2.87 0.00 0.00 58.31 56.30 1wsf n LYS 95 Cb 1.01 -4.99 -0.04 0.00 -1.84 0.00 0.00 35.03 29.17 1wsf n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wsf s LYS 96 N -2.99 2.84 0.92 1.97 1.02 -1.26 -4.70 119.74 117.54 1wsf s LYS 96 Ca 0.00 -1.15 -0.14 0.00 0.02 0.00 0.00 55.97 54.71 1wsf s LYS 96 Cb 0.00 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1wsf s LYS 96 CO 0.00 0.30 0.32 -2.30 -0.92 0.00 0.00 175.35 172.75 1wsf n PRO 97 N -1.23 -0.18 -4.12 -1.68 -0.02 -1.26 -1.28 135.00 125.23 1wsf n PRO 97 Ca -0.06 -0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.06 1wsf n PRO 97 Cb 0.59 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 32.20 1wsf n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wsf s VAL 98 N -2.29 4.72 0.33 -1.45 -7.23 -1.26 -4.70 120.40 108.53 1wsf s VAL 98 Ca 0.57 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.38 1wsf s VAL 98 Cb -0.23 -3.07 -0.12 0.00 0.56 0.00 0.00 36.38 33.52 1wsf s VAL 98 CO 0.67 0.53 1.35 1.17 -0.31 0.00 0.00 175.10 178.52 1wsf n LYS 99 N 2.84 2.23 -3.07 4.82 3.00 -1.26 -2.37 118.16 124.34 1wsf n LYS 99 Ca -0.18 0.78 -0.22 0.00 -0.00 0.00 0.00 58.31 58.69 1wsf n LYS 99 Cb 0.53 -2.40 0.02 0.00 0.00 0.00 0.00 35.03 33.18 1wsf n LYS 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1wsf n ASN 100 N 0.95 -5.18 -0.14 3.14 3.02 -1.26 -4.85 115.26 110.94 1wsf n ASN 100 Ca 0.05 -0.28 0.14 0.00 -0.03 0.00 0.00 54.58 54.47 1wsf n ASN 100 Cb 0.36 -4.23 0.50 0.00 -0.61 0.00 0.00 39.78 35.81 1wsf n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wsf h VAL 101 N -1.11 0.83 -0.32 2.41 3.04 -1.87 -0.43 116.25 118.80 1wsf h VAL 101 Ca -0.48 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.03 1wsf h VAL 101 Cb 1.33 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 1wsf h VAL 101 CO 0.54 0.07 0.04 -2.24 -1.01 0.00 0.00 177.57 174.98 1wsf h ASP 102 N 0.41 0.43 0.02 3.17 2.03 -1.88 0.93 116.42 121.53 1wsf h ASP 102 Ca 0.34 -0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 56.50 1wsf h ASP 102 Cb 0.76 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1wsf h ASP 102 CO -0.10 0.47 -0.39 -0.07 -1.03 0.00 0.00 179.24 178.12 1wsf h LEU 103 N 0.46 0.07 0.01 0.15 3.38 -1.50 -3.13 115.31 114.76 1wsf h LEU 103 Ca 0.11 -0.90 0.02 0.00 0.09 0.00 0.00 57.88 57.19 1wsf h LEU 103 Cb 0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1wsf h LEU 103 CO 0.00 1.16 -0.10 -0.50 0.09 0.00 0.00 178.44 179.10 1wsf h TRP 104 N -0.89 -0.25 -0.18 1.13 4.06 -1.22 0.47 115.95 119.08 1wsf h TRP 104 Ca -0.09 0.01 0.05 0.00 2.06 0.00 0.00 58.89 60.92 1wsf h TRP 104 Cb 1.17 0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.43 1wsf h TRP 104 CO 0.23 -0.15 0.14 0.37 -3.56 0.00 0.00 178.44 175.47 1wsf h GLN 105 N -0.17 0.00 0.17 0.49 4.15 -0.98 0.90 115.11 119.67 1wsf h GLN 105 Ca 0.03 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.14 1wsf h GLN 105 Cb 0.21 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.94 1wsf h GLN 105 CO -0.09 0.00 -1.33 -0.09 -1.93 0.00 0.00 178.83 175.39 1wsf h ARG 106 N 0.00 0.57 -0.16 1.69 2.43 -1.15 -2.86 114.38 114.89 1wsf h ARG 106 Ca 0.08 -0.84 -0.09 0.00 -0.81 0.00 0.00 59.98 58.32 1wsf h ARG 106 Cb 0.36 0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1wsf h ARG 106 CO -0.00 1.39 -0.26 1.25 -1.51 0.00 0.00 179.97 180.83 1wsf h LEU 107 N 0.22 0.51 -0.86 3.80 5.85 0.15 -3.04 115.31 121.93 1wsf h LEU 107 Ca -0.21 -0.53 0.13 0.00 0.84 0.00 0.00 57.88 58.11 1wsf h LEU 107 Cb 2.01 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.81 1wsf h LEU 107 CO 0.25 0.95 0.48 -0.78 -0.34 0.00 0.00 178.44 178.99 1wsf h ASP 108 N 0.10 0.63 -0.77 1.25 1.82 0.67 0.14 116.42 120.26 1wsf h ASP 108 Ca 0.01 0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1wsf h ASP 108 Cb 0.84 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.78 1wsf h ASP 108 CO 0.06 0.31 0.48 0.00 -1.61 0.00 0.00 179.24 178.48 1wsf h ALA 109 N 1.52 1.39 -0.62 -0.78 0.00 -1.46 -2.29 119.26 117.02 1wsf h ALA 109 Ca 0.45 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1wsf h ALA 109 Cb 0.55 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1wsf h ALA 109 CO -0.31 0.54 0.15 0.00 0.00 0.00 0.00 179.25 179.62 1wsf h ALA 110 N 1.47 0.82 -0.08 0.00 0.00 -0.64 -3.14 119.26 117.69 1wsf h ALA 110 Ca 0.28 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1wsf h ALA 110 Cb -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1wsf h ALA 110 CO -0.06 0.53 -0.16 -0.07 0.00 0.00 0.00 179.25 179.50 1wsf h LEU 111 N 0.91 -0.49 0.00 0.00 3.38 -0.73 -0.70 115.31 117.69 1wsf h LEU 111 Ca 0.20 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1wsf h LEU 111 Cb 0.36 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1wsf h LEU 111 CO 0.00 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.93 1wsf n GLY 112 N -1.30 -0.12 0.11 0.83 0.00 -1.14 -1.64 105.19 101.92 1wsf n GLY 112 Ca -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 1wsf n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wsf n GLN 113 N -0.92 0.68 -4.40 1.61 1.13 -0.27 -5.02 117.38 110.19 1wsf n GLN 113 Ca 0.02 0.22 -0.24 0.00 -1.94 0.00 0.00 57.00 55.06 1wsf n GLN 113 Cb 0.01 -1.69 -0.07 0.00 0.11 0.00 0.00 30.24 28.59 1wsf n GLN 113 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1wsf n HIS 114 N -3.16 -0.09 -3.31 1.08 8.25 -0.65 -4.39 115.22 112.95 1wsf n HIS 114 Ca -0.28 -2.70 -0.46 0.00 -0.26 0.00 0.00 57.72 54.02 1wsf n HIS 114 Cb 1.06 0.07 -0.05 0.00 1.12 0.00 0.00 29.99 32.19 1wsf n HIS 114 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1wsf s GLN 115 N -3.53 3.04 -0.27 -0.41 -1.52 -0.43 -4.91 119.66 111.64 1wsf s GLN 115 Ca 0.26 -1.77 -0.10 0.00 -1.95 0.00 0.00 55.36 51.80 1wsf s GLN 115 Cb 0.01 -4.31 -0.05 0.00 -0.22 0.00 0.00 33.01 28.44 1wsf s GLN 115 CO 0.18 -1.33 0.17 0.42 -0.25 0.00 0.00 175.29 174.48 1wsf s ILE 116 N 1.50 5.19 -0.31 1.08 -1.09 -1.26 -0.98 121.20 125.34 1wsf s ILE 116 Ca 0.04 0.13 -0.09 0.00 -2.23 0.00 0.00 60.65 58.50 1wsf s ILE 116 Cb -0.28 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1wsf s ILE 116 CO 0.02 0.28 0.14 -0.54 -1.23 0.00 0.00 174.94 173.60 1wsf s LYS 117 N 1.64 3.31 0.05 2.79 3.01 0.31 -4.99 119.74 125.84 1wsf s LYS 117 Ca 0.07 -0.73 -0.21 0.00 -1.01 0.00 0.00 55.97 54.09 1wsf s LYS 117 Cb -0.16 -3.52 -0.06 0.00 -1.01 0.00 0.00 37.83 33.08 1wsf s LYS 117 CO 0.09 -0.41 0.62 -1.58 0.51 0.00 0.00 175.35 174.58 1wsf s TRP 118 N 1.59 3.76 -0.35 3.18 0.52 -1.26 -1.64 118.94 124.74 1wsf s TRP 118 Ca 0.04 1.30 0.01 0.00 0.02 0.00 0.00 56.10 57.47 1wsf s TRP 118 Cb -0.17 -2.61 0.09 0.00 -1.15 0.00 0.00 33.47 29.64 1wsf s TRP 118 CO 0.05 0.45 0.07 -2.00 0.02 0.00 0.00 176.95 175.54 1wsf s GLU 119 N -0.60 1.82 -0.46 4.98 2.12 0.08 -4.95 118.70 121.68 1wsf s GLU 119 Ca 0.31 -1.74 -0.26 0.00 0.36 0.00 0.00 54.97 53.65 1wsf s GLU 119 Cb -0.19 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 30.94 1wsf s GLU 119 CO 0.19 -0.90 0.93 -1.58 -0.54 0.00 0.00 175.26 173.36 1wsf s TRP 120 N 1.03 2.92 0.00 5.30 0.52 -1.26 -2.32 118.94 125.13 1wsf s TRP 120 Ca 0.06 0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.58 1wsf s TRP 120 Cb -0.20 -3.98 0.00 0.00 -1.15 0.00 0.00 33.47 28.13 1wsf s TRP 120 CO -0.06 -1.10 0.00 1.33 0.02 0.00 0.00 176.95 177.14 1wsf n VAL 121 N 6.43 0.00 -1.77 4.03 0.24 -0.73 -5.01 118.33 121.53 1wsf n VAL 121 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1wsf n VAL 121 Cb 0.48 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 1wsf n VAL 121 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wsf n LYS 122 N -0.63 3.97 0.00 7.34 5.02 -1.24 -4.51 118.16 128.11 1wsf n LYS 122 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1wsf n LYS 122 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1wsf n LYS 122 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wsf n GLY 123 N 5.00 1.52 0.23 0.72 0.00 -1.26 -4.59 105.19 106.81 1wsf n GLY 123 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1wsf n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1wsf h HIS 124 N 0.00 0.00 0.00 1.61 3.86 -2.00 -3.32 115.15 115.30 1wsf h HIS 124 Ca 0.00 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.97 1wsf h HIS 124 Cb 0.00 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1wsf h HIS 124 CO 0.00 0.07 1.15 0.00 0.86 0.00 0.00 177.93 180.02 1wsf n ALA 125 N -2.12 4.57 -3.63 2.45 0.00 -1.26 -4.64 120.51 115.88 1wsf n ALA 125 Ca 0.02 -1.55 -0.10 0.00 0.00 0.00 0.00 53.44 51.82 1wsf n ALA 125 Cb 0.46 -2.61 -0.07 0.00 0.00 0.00 0.00 19.45 17.24 1wsf n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wsf s GLY 126 N 2.78 -0.18 0.90 0.00 0.00 -1.25 -3.64 107.32 105.92 1wsf s GLY 126 Ca 0.41 2.56 -0.17 0.00 0.00 0.00 0.00 44.72 47.52 1wsf s GLY 126 CO -0.02 1.72 -0.68 1.42 0.00 0.00 0.00 173.10 175.54 1wsf n HIS 127 N 2.02 -4.78 0.31 1.90 8.25 -1.26 -4.78 115.22 116.87 1wsf n HIS 127 Ca -0.12 0.05 0.17 0.00 -0.26 0.00 0.00 57.72 57.55 1wsf n HIS 127 Cb 0.56 -1.46 0.98 0.00 1.12 0.00 0.00 29.99 31.18 1wsf n HIS 127 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1wsf h PRO 128 N -0.81 0.00 -0.52 -0.41 0.11 -1.99 -3.05 132.00 125.33 1wsf h PRO 128 Ca -0.43 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.78 1wsf h PRO 128 Cb 1.32 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.34 1wsf h PRO 128 CO 0.26 0.01 -0.02 0.93 -0.21 0.00 0.00 178.00 178.97 1wsf h GLU 129 N 0.00 0.09 0.02 1.05 3.07 -2.00 -0.07 114.58 116.74 1wsf h GLU 129 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1wsf h GLU 129 Cb 0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1wsf h GLU 129 CO 0.00 0.06 -0.01 -0.91 -1.40 0.00 0.00 179.01 176.75 1wsf h ASN 130 N 0.10 -0.02 -0.57 1.42 -0.26 -1.85 -2.79 115.58 111.61 1wsf h ASN 130 Ca 0.26 -0.39 0.16 0.00 -0.56 0.00 0.00 56.30 55.78 1wsf h ASN 130 Cb 0.41 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1wsf h ASN 130 CO -0.46 0.38 0.42 -0.08 -1.06 0.00 0.00 177.43 176.63 1wsf h GLU 131 N -0.42 0.00 0.00 0.81 4.57 -1.57 0.31 114.58 118.29 1wsf h GLU 131 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1wsf h GLU 131 Cb 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1wsf h GLU 131 CO 0.00 0.00 -0.00 -0.09 -1.18 0.00 0.00 179.01 177.74 1wsf h ARG 132 N 0.00 -0.00 -0.98 1.92 1.12 -0.82 -2.71 114.38 112.91 1wsf h ARG 132 Ca 0.27 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 59.23 1wsf h ARG 132 Cb 1.11 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.00 1wsf h ARG 132 CO -0.00 0.27 0.62 0.00 -3.11 0.00 0.00 179.97 177.75 1wsf h ALA 134 N 1.49 0.89 0.91 0.00 0.00 -0.93 0.36 119.26 121.98 1wsf h ALA 134 Ca 0.45 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 1wsf h ALA 134 Cb 0.32 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wsf h ALA 134 CO -0.22 -0.14 -0.44 0.93 0.00 0.00 0.00 179.25 179.38 1wsf h GLU 135 N 0.48 -1.18 -1.01 0.00 5.08 -0.81 0.07 114.58 117.22 1wsf h GLU 135 Ca 0.34 0.08 0.26 0.00 -1.00 0.00 0.00 59.36 59.04 1wsf h GLU 135 Cb 0.41 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.85 1wsf h GLU 135 CO -0.30 -0.78 0.67 -0.07 -1.00 0.00 0.00 179.01 177.53 1wsf h LEU 136 N -1.26 0.32 -0.14 1.33 3.38 -0.71 0.66 115.31 118.88 1wsf h LEU 136 Ca -0.12 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1wsf h LEU 136 Cb 0.94 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1wsf h LEU 136 CO 0.21 0.08 -0.30 0.00 0.09 0.00 0.00 178.44 178.52 1wsf h ALA 137 N 1.58 0.22 -0.28 1.53 0.00 0.14 -1.32 119.26 121.13 1wsf h ALA 137 Ca 0.54 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1wsf h ALA 137 Cb 1.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1wsf h ALA 137 CO -0.19 0.25 -0.24 -0.09 0.00 0.00 0.00 179.25 178.98 1wsf h ARG 138 N 0.05 0.53 -0.60 0.00 2.43 0.10 -0.95 114.38 115.95 1wsf h ARG 138 Ca 0.00 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1wsf h ARG 138 Cb 0.90 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1wsf h ARG 138 CO 0.07 0.73 0.37 0.00 -1.51 0.00 0.00 179.97 179.63 1wsf h ALA 139 N 1.27 0.77 -0.04 2.80 0.00 0.31 0.36 119.26 124.72 1wsf h ALA 139 Ca 0.07 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1wsf h ALA 139 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wsf h ALA 139 CO 0.05 0.24 -0.66 0.00 0.00 0.00 0.00 179.25 178.88 1wsf h ALA 140 N 1.19 0.82 -0.63 0.00 0.00 -0.88 -2.97 119.26 116.80 1wsf h ALA 140 Ca 0.22 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 1wsf h ALA 140 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1wsf h ALA 140 CO -0.04 0.78 0.03 0.00 0.00 0.00 0.00 179.25 180.02 1wsf h ALA 141 N 1.21 0.87 0.00 0.00 0.00 -0.58 -1.85 119.26 118.91 1wsf h ALA 141 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wsf h ALA 141 Cb 1.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1wsf h ALA 141 CO 0.10 0.67 0.00 -1.33 0.00 0.00 0.00 179.25 178.69 1wsf n MET 142 N -4.19 0.32 -2.83 0.00 2.81 0.06 -3.48 117.12 109.81 1wsf n MET 142 Ca 0.03 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.82 1wsf n MET 142 Cb 0.33 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.39 1wsf n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wsf n ASN 143 N -1.01 -1.96 -4.75 7.83 4.05 -0.71 -5.08 115.26 113.63 1wsf n ASN 143 Ca 0.08 -3.38 -0.41 0.00 0.45 0.00 0.00 54.58 51.32 1wsf n ASN 143 Cb 0.04 1.36 -0.02 0.00 1.23 0.00 0.00 39.78 42.39 1wsf n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wsf s PRO 144 N -0.01 4.19 0.00 1.20 0.04 -1.11 -4.57 135.00 134.74 1wsf s PRO 144 Ca 0.29 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1wsf s PRO 144 Cb 0.26 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1wsf s PRO 144 CO -0.14 -0.52 0.00 0.25 0.04 0.00 0.00 177.00 176.64 1wsf n THR 145 N 2.00 0.00 -4.31 1.26 -2.24 -0.83 -4.85 114.28 105.31 1wsf n THR 145 Ca 0.06 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.61 1wsf n THR 145 Cb 0.39 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 1wsf n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wsf s LEU 146 N -3.32 3.10 -0.07 3.22 1.43 -0.96 -4.99 118.68 117.09 1wsf s LEU 146 Ca 0.00 -0.74 -0.08 0.00 -1.03 0.00 0.00 54.13 52.28 1wsf s LEU 146 Cb 0.00 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1wsf s LEU 146 CO 0.00 -0.04 0.20 -0.70 0.23 0.00 0.00 176.35 176.04 1wsf s GLU 147 N -3.67 3.53 -1.22 1.70 2.12 -1.26 -2.28 118.70 117.62 1wsf s GLU 147 Ca 0.32 -0.06 -0.13 0.00 0.36 0.00 0.00 54.97 55.46 1wsf s GLU 147 Cb -0.05 -3.17 0.17 0.00 0.26 0.00 0.00 34.13 31.34 1wsf s GLU 147 CO 0.19 0.74 1.50 -3.47 -0.54 0.00 0.00 175.26 173.68 1wsf n ASP 148 N 1.73 5.22 0.30 -1.70 4.64 -1.26 -4.84 116.55 120.64 1wsf n ASP 148 Ca -0.17 -3.00 0.16 0.00 -1.38 0.00 0.00 54.79 50.40 1wsf n ASP 148 Cb 0.54 -1.55 0.79 0.00 -1.04 0.00 0.00 41.12 39.86 1wsf n ASP 148 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1wsf h THR 149 N 4.48 0.05 -0.13 5.18 1.35 -1.95 -1.30 112.91 120.59 1wsf h THR 149 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.19 1wsf h THR 149 Cb 0.83 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1wsf h THR 149 CO 1.30 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.18 1wsf n GLY 150 N -1.26 0.30 3.57 5.82 0.00 -1.26 -4.85 105.19 107.50 1wsf n GLY 150 Ca -0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 1wsf n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wsf s TYR 151 N -1.84 3.01 -0.63 1.61 6.14 -0.49 -4.91 117.35 120.24 1wsf s TYR 151 Ca 0.34 0.42 -0.27 0.00 0.64 0.00 0.00 57.07 58.20 1wsf s TYR 151 Cb 0.19 -3.70 0.01 0.00 0.42 0.00 0.00 41.96 38.88 1wsf s TYR 151 CO 0.28 -0.94 1.53 -0.65 0.64 0.00 0.00 175.55 176.41 1wsf s GLN 152 N 3.42 3.05 -0.18 4.97 -0.21 -1.26 -4.92 119.66 124.53 1wsf s GLN 152 Ca 0.34 0.32 -0.34 0.00 0.02 0.00 0.00 55.36 55.69 1wsf s GLN 152 Cb -0.12 -4.23 -0.11 0.00 1.00 0.00 0.00 33.01 29.55 1wsf s GLN 152 CO 0.22 -2.25 1.98 1.33 -2.12 0.00 0.00 175.29 174.44 1wsf n VAL 153 N 6.84 0.45 1.06 1.09 0.24 -1.26 -4.81 118.33 121.94 1wsf n VAL 153 Ca 0.12 -0.17 0.13 0.00 -2.04 0.00 0.00 64.34 62.38 1wsf n VAL 153 Cb 0.50 -1.85 0.35 0.00 -1.47 0.00 0.00 33.84 31.37 1wsf n VAL 153 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1wsf n GLU 154 N 7.12 0.17 -0.35 7.34 1.02 -1.26 -5.25 120.64 129.43 1wsf n GLU 154 Ca 0.28 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1wsf n GLU 154 Cb 0.28 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1wsf n GLU 154 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59