#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsf s LEU 2 N 0.00 3.77 0.00 3.17 2.96 -1.26 -5.04 118.68 122.28 1wsf s LEU 2 Ca 0.00 -3.37 0.00 0.00 -0.22 0.00 0.00 54.13 50.54 1wsf s LEU 2 Cb 0.00 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1wsf s LEU 2 CO 0.00 -0.16 0.00 1.17 -1.32 0.00 0.00 176.35 176.04 1wsf n LYS 3 N 2.59 0.00 -3.25 1.98 4.81 -1.26 -1.88 118.16 121.15 1wsf n LYS 3 Ca 0.17 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.23 1wsf n LYS 3 Cb 0.37 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.36 1wsf n LYS 3 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1wsf s GLN 4 N 0.00 4.30 0.08 1.64 1.11 -1.26 -1.00 119.66 124.53 1wsf s GLN 4 Ca 0.00 0.63 0.01 0.00 0.01 0.00 0.00 55.36 56.01 1wsf s GLN 4 Cb 0.00 -3.37 -0.04 0.00 -1.01 0.00 0.00 33.01 28.59 1wsf s GLN 4 CO 0.00 0.30 -0.06 0.08 0.01 0.00 0.00 175.29 175.62 1wsf s VAL 5 N 0.09 0.55 -0.09 1.09 1.01 -0.66 -4.80 120.40 117.58 1wsf s VAL 5 Ca 0.29 -1.73 0.03 0.00 0.00 0.00 0.00 61.98 60.58 1wsf s VAL 5 Cb -0.17 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1wsf s VAL 5 CO 0.15 -0.80 -0.19 -1.61 0.00 0.00 0.00 175.10 172.65 1wsf s GLU 6 N -3.38 2.51 -0.04 2.72 2.02 -0.22 -2.14 118.70 120.17 1wsf s GLU 6 Ca 0.06 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.41 1wsf s GLU 6 Cb 0.03 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.27 1wsf s GLU 6 CO -0.05 0.08 -0.19 0.42 0.02 0.00 0.00 175.26 175.54 1wsf s ILE 7 N 0.58 1.60 -0.07 -1.63 1.01 -0.68 -0.60 121.20 121.41 1wsf s ILE 7 Ca -0.15 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1wsf s ILE 7 Cb -0.17 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 1wsf s ILE 7 CO 0.05 0.46 -0.22 -0.36 0.00 0.00 0.00 174.94 174.86 1wsf s PHE 8 N -0.07 2.26 0.07 3.97 0.08 -0.34 -0.39 117.98 123.55 1wsf s PHE 8 Ca -0.02 -0.76 0.01 0.00 0.12 0.00 0.00 56.93 56.27 1wsf s PHE 8 Cb -0.12 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1wsf s PHE 8 CO 0.02 -0.27 -0.06 0.95 -0.10 0.00 0.00 175.22 175.76 1wsf s THR 9 N 0.09 0.51 -0.27 0.64 -4.23 -1.00 -0.30 115.64 111.09 1wsf s THR 9 Ca -0.09 -1.60 -0.22 0.00 -1.18 0.00 0.00 61.69 58.60 1wsf s THR 9 Cb -0.15 -1.25 0.08 0.00 1.34 0.00 0.00 72.50 72.53 1wsf s THR 9 CO 0.05 -0.74 0.74 -0.62 -0.54 0.00 0.00 174.62 173.52 1wsf s ASP 10 N -2.50 -0.78 0.17 3.99 -1.08 -0.89 -4.50 116.67 111.08 1wsf s ASP 10 Ca 0.03 1.41 0.04 0.00 -0.52 0.00 0.00 52.55 53.51 1wsf s ASP 10 Cb 0.00 1.39 -0.04 0.00 -1.46 0.00 0.00 42.92 42.82 1wsf s ASP 10 CO -0.04 -0.24 0.20 -0.83 0.52 0.00 0.00 175.17 174.79 1wsf s GLY 11 N 0.80 1.66 -0.21 2.66 0.00 -1.26 -2.31 107.32 108.66 1wsf s GLY 11 Ca -0.03 -1.17 -0.13 0.00 0.00 0.00 0.00 44.72 43.39 1wsf s GLY 11 CO -0.07 -1.18 0.51 -0.45 0.00 0.00 0.00 173.10 171.91 1wsf s SER 12 N -3.26 -0.65 -0.05 1.64 0.15 -0.63 -4.88 113.70 106.01 1wsf s SER 12 Ca 0.32 1.11 -0.05 0.00 0.70 0.00 0.00 55.95 58.04 1wsf s SER 12 Cb -0.10 1.01 0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1wsf s SER 12 CO 0.26 -0.21 0.14 0.00 1.20 0.00 0.00 173.24 174.63 1wsf n LEU 14 N 3.17 3.44 0.00 0.00 4.77 0.76 -4.90 117.00 124.24 1wsf n LEU 14 Ca -0.14 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1wsf n LEU 14 Cb 0.58 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1wsf n LEU 14 CO 0.21 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1wsf n GLY 15 N 0.55 1.04 2.75 -0.72 0.00 -1.26 -4.76 105.19 102.79 1wsf n GLY 15 Ca 0.16 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 1wsf n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wsf n ASN 16 N -0.16 -3.13 -4.87 1.61 5.15 -1.26 -4.12 115.26 108.48 1wsf n ASN 16 Ca 0.00 -3.02 -0.24 0.00 -0.60 0.00 0.00 54.58 50.72 1wsf n ASN 16 Cb 0.00 1.75 0.07 0.00 -0.53 0.00 0.00 39.78 41.07 1wsf n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wsf s PRO 17 N 0.78 2.16 -0.03 1.20 0.04 -1.26 -5.11 135.00 132.78 1wsf s PRO 17 Ca 0.31 -0.55 -0.22 0.00 0.04 0.00 0.00 61.00 60.57 1wsf s PRO 17 Cb 0.11 -2.28 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1wsf s PRO 17 CO -0.14 -1.15 1.00 0.41 0.04 0.00 0.00 177.00 177.15 1wsf n GLY 18 N -2.76 0.28 3.76 0.56 0.00 -0.55 -4.90 105.19 101.58 1wsf n GLY 18 Ca 0.09 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.01 3.55 0.24 1.61 0.02 -1.13 -1.12 135.00 136.15 1wsf s PRO 19 Ca 0.24 2.35 -0.18 0.00 0.02 0.00 0.00 61.00 63.42 1wsf s PRO 19 Cb -0.00 -2.55 0.02 0.00 0.02 0.00 0.00 34.50 31.99 1wsf s PRO 19 CO -0.01 -0.90 0.59 0.20 -0.33 0.00 0.00 177.00 176.55 1wsf s GLY 20 N -0.65 0.01 0.24 0.52 0.00 0.08 -0.17 107.32 107.35 1wsf s GLY 20 Ca 0.64 -0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.78 1wsf s GLY 20 CO 0.53 -0.25 0.72 -0.32 0.00 0.00 0.00 173.10 173.78 1wsf s GLY 21 N -2.91 -0.23 0.18 0.20 0.00 0.71 0.67 107.32 105.95 1wsf s GLY 21 Ca 0.12 -0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.85 1wsf s GLY 21 CO 0.03 -0.02 -0.15 -2.52 0.00 0.00 0.00 173.10 170.44 1wsf s TYR 22 N -3.81 1.68 -0.01 1.90 -0.85 -0.74 -1.61 117.35 113.91 1wsf s TYR 22 Ca 0.09 -0.56 -0.02 0.00 -0.52 0.00 0.00 57.07 56.06 1wsf s TYR 22 Cb -0.04 -0.80 -0.00 0.00 0.38 0.00 0.00 41.96 41.49 1wsf s TYR 22 CO 0.02 0.32 0.04 0.20 -1.52 0.00 0.00 175.55 174.60 1wsf s GLY 23 N -3.08 0.03 -0.18 5.49 0.00 -0.98 -3.14 107.32 105.46 1wsf s GLY 23 Ca 0.19 -0.04 -0.15 0.00 0.00 0.00 0.00 44.72 44.73 1wsf s GLY 23 CO 0.06 -0.08 0.47 0.00 0.00 0.00 0.00 173.10 173.56 1wsf s ALA 24 N -0.39 -1.18 -0.11 3.20 0.00 -0.31 -2.10 121.76 120.87 1wsf s ALA 24 Ca -0.04 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1wsf s ALA 24 Cb -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1wsf s ALA 24 CO -0.00 -0.24 -0.15 0.42 0.00 0.00 0.00 175.76 175.79 1wsf s ILE 25 N 0.62 2.92 -0.15 0.00 1.01 0.59 0.04 121.20 126.22 1wsf s ILE 25 Ca -0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 1wsf s ILE 25 Cb -0.05 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1wsf s ILE 25 CO -0.04 0.54 -0.09 -0.22 0.00 0.00 0.00 174.94 175.13 1wsf s LEU 26 N 0.11 2.89 -0.09 2.97 2.96 0.30 -1.20 118.68 126.61 1wsf s LEU 26 Ca -0.07 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1wsf s LEU 26 Cb -0.15 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.88 1wsf s LEU 26 CO 0.05 0.13 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.97 1wsf s ARG 27 N 0.56 1.71 0.00 1.98 0.52 0.23 0.42 118.95 124.37 1wsf s ARG 27 Ca -0.06 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 1wsf s ARG 27 Cb -0.15 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 33.76 1wsf s ARG 27 CO 0.03 -0.11 0.00 0.98 0.02 0.00 0.00 175.30 176.22 1wsf n TYR 28 N 4.35 0.00 -2.51 -0.53 -0.00 -0.89 -1.05 117.16 116.53 1wsf n TYR 28 Ca -0.18 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.35 1wsf n TYR 28 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.86 1wsf n TYR 28 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1wsf n ARG 29 N 0.00 4.16 0.00 2.98 1.74 -1.26 -4.73 116.66 119.55 1wsf n ARG 29 Ca 0.00 -4.42 0.00 0.00 -0.77 0.00 0.00 57.85 52.66 1wsf n ARG 29 Cb 0.00 -2.35 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 1wsf n ARG 29 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsf n GLY 30 N -0.26 3.07 3.55 -0.13 0.00 -1.26 -5.04 105.19 105.12 1wsf n GLY 30 Ca 0.45 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 1wsf n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wsf n ARG 31 N 0.00 0.86 -3.70 1.61 5.12 -1.26 -4.99 116.66 114.30 1wsf n ARG 31 Ca 0.00 0.32 -0.16 0.00 -1.93 0.00 0.00 57.85 56.08 1wsf n ARG 31 Cb 0.00 -1.89 -0.15 0.00 -1.16 0.00 0.00 32.46 29.25 1wsf n ARG 31 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1wsf s GLU 32 N -2.17 0.04 -0.17 5.56 2.12 -1.26 -2.10 118.70 120.72 1wsf s GLU 32 Ca 0.68 0.46 -0.04 0.00 0.36 0.00 0.00 54.97 56.43 1wsf s GLU 32 Cb -0.49 -0.27 -0.03 0.00 0.26 0.00 0.00 34.13 33.61 1wsf s GLU 32 CO 0.54 -0.25 -0.02 0.15 -0.54 0.00 0.00 175.26 175.13 1wsf s LYS 33 N 1.84 3.65 -0.08 4.30 1.02 0.17 -4.94 119.74 125.69 1wsf s LYS 33 Ca -0.02 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1wsf s LYS 33 Cb -0.12 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1wsf s LYS 33 CO -0.05 0.15 -0.06 0.99 -0.92 0.00 0.00 175.35 175.45 1wsf s THR 34 N 0.62 3.74 -0.05 2.17 2.01 -1.26 0.11 115.64 122.97 1wsf s THR 34 Ca -0.02 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1wsf s THR 34 Cb -0.14 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 1wsf s THR 34 CO 0.02 0.58 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.01 1wsf s PHE 35 N -0.60 1.73 0.03 4.92 0.08 0.11 -4.98 117.98 119.26 1wsf s PHE 35 Ca 0.09 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.45 1wsf s PHE 35 Cb -0.12 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 1wsf s PHE 35 CO 0.02 -0.19 0.37 0.45 -0.10 0.00 0.00 175.22 175.77 1wsf s SER 36 N 0.13 -0.24 0.00 1.36 0.15 -1.26 -1.17 113.70 112.68 1wsf s SER 36 Ca -0.06 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1wsf s SER 36 Cb -0.12 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1wsf s SER 36 CO 0.03 -0.61 0.00 0.00 1.20 0.00 0.00 173.24 173.85 1wsf n ALA 37 N 0.66 0.00 -2.51 5.45 0.00 -1.19 -5.01 120.51 117.92 1wsf n ALA 37 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.00 1wsf n ALA 37 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 1wsf n ALA 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wsf s GLY 38 N 0.00 1.30 0.08 0.00 0.00 -1.26 -1.79 107.32 105.66 1wsf s GLY 38 Ca 0.00 -1.28 0.08 0.00 0.00 0.00 0.00 44.72 43.52 1wsf s GLY 38 CO 0.00 -1.27 -0.21 -0.19 0.00 0.00 0.00 173.10 171.42 1wsf s TYR 39 N -1.12 1.86 0.20 1.90 1.51 0.21 -1.91 117.35 120.00 1wsf s TYR 39 Ca 0.08 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.71 1wsf s TYR 39 Cb -0.10 -1.05 0.13 0.00 -0.11 0.00 0.00 41.96 40.83 1wsf s TYR 39 CO 0.04 0.17 1.52 1.79 -1.11 0.00 0.00 175.55 177.96 1wsf h THR 40 N 4.18 1.32 -2.75 -0.71 1.35 -1.72 0.26 112.91 114.83 1wsf h THR 40 Ca -0.45 -1.75 -0.39 0.00 -0.55 0.00 0.00 66.41 63.27 1wsf h THR 40 Cb 1.17 1.73 -0.38 0.00 -1.73 0.00 0.00 68.15 68.93 1wsf h THR 40 CO 0.41 0.55 -0.69 -0.60 -0.25 0.00 0.00 175.52 174.94 1wsf s ARG 41 N -4.05 0.14 0.12 4.72 3.52 -1.26 -2.85 118.95 119.29 1wsf s ARG 41 Ca -0.07 0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.52 1wsf s ARG 41 Cb 0.11 -1.46 0.02 0.00 -1.56 0.00 0.00 34.95 32.06 1wsf s ARG 41 CO 0.84 -0.69 0.23 -2.37 -0.81 0.00 0.00 175.30 172.50 1wsf n THR 42 N 5.30 0.00 -4.46 4.11 5.66 -0.28 -4.25 114.28 120.37 1wsf n THR 42 Ca -0.06 -0.31 -0.23 0.00 -3.05 0.00 0.00 64.05 60.40 1wsf n THR 42 Cb 0.49 0.30 -0.10 0.00 -1.55 0.00 0.00 70.33 69.46 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 -2.72 2.15 0.27 1.09 -4.23 -1.26 -1.48 115.64 109.45 1wsf s THR 43 Ca 0.05 -2.28 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 1wsf s THR 43 Cb -0.01 -2.35 0.19 0.00 1.34 0.00 0.00 72.50 71.66 1wsf s THR 43 CO 0.04 -0.38 1.86 -1.13 -0.54 0.00 0.00 174.62 174.46 1wsf h ASN 44 N 2.27 0.92 0.13 3.99 -1.24 -1.87 -2.18 115.58 117.60 1wsf h ASN 44 Ca -0.40 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 56.49 1wsf h ASN 44 Cb 1.25 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 40.05 1wsf h ASN 44 CO 0.64 0.80 -0.09 0.78 -1.29 0.00 0.00 177.43 178.27 1wsf h ASN 45 N 1.00 -0.23 -0.70 1.15 -0.26 -1.97 -1.20 115.58 113.38 1wsf h ASN 45 Ca 0.24 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 1wsf h ASN 45 Cb 0.15 0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.45 1wsf h ASN 45 CO -0.03 -0.15 0.40 0.03 -1.06 0.00 0.00 177.43 176.63 1wsf h ARG 46 N -0.22 0.96 -0.13 0.81 3.08 -1.95 -2.22 114.38 114.70 1wsf h ARG 46 Ca -0.01 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.96 1wsf h ARG 46 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1wsf h ARG 46 CO 0.00 0.71 0.09 0.52 -1.07 0.00 0.00 179.97 180.22 1wsf h MET 47 N 0.95 0.09 0.00 0.04 2.86 -1.08 0.08 114.93 117.87 1wsf h MET 47 Ca 0.25 -0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.70 1wsf h MET 47 Cb 0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1wsf h MET 47 CO -0.04 0.06 -0.88 0.93 1.06 0.00 0.00 176.91 178.04 1wsf h GLU 48 N 0.09 0.00 0.29 1.72 5.08 -0.65 -2.85 114.58 118.26 1wsf h GLU 48 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1wsf h GLU 48 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1wsf h GLU 48 CO -0.01 0.88 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.67 1wsf h LEU 49 N 0.00 -0.33 -1.24 1.33 3.38 -0.76 -3.19 115.31 114.50 1wsf h LEU 49 Ca -0.01 -0.16 0.28 0.00 0.09 0.00 0.00 57.88 58.08 1wsf h LEU 49 Cb 1.61 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.34 1wsf h LEU 49 CO 0.11 0.16 0.66 -0.03 0.09 0.00 0.00 178.44 179.43 1wsf h MET 50 N -0.99 0.40 -0.59 1.13 4.05 -1.11 0.13 114.93 117.95 1wsf h MET 50 Ca -0.04 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 1wsf h MET 50 Cb 0.47 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 1wsf h MET 50 CO 0.06 0.27 0.11 0.00 0.23 0.00 0.00 176.91 177.58 1wsf h ALA 51 N 1.67 1.08 -0.10 0.39 0.00 -1.54 0.03 119.26 120.79 1wsf h ALA 51 Ca 0.64 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 55.07 1wsf h ALA 51 Cb 1.53 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1wsf h ALA 51 CO -0.38 0.60 -0.86 0.00 0.00 0.00 0.00 179.25 178.62 1wsf h ALA 52 N 1.22 0.28 0.67 0.00 0.00 -0.80 -2.98 119.26 117.65 1wsf h ALA 52 Ca 0.19 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1wsf h ALA 52 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wsf h ALA 52 CO 0.01 0.70 -0.40 0.82 0.00 0.00 0.00 179.25 180.37 1wsf h ILE 53 N 0.47 0.19 -0.63 0.00 2.04 -0.78 -0.84 117.51 117.97 1wsf h ILE 53 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1wsf h ILE 53 Cb 1.49 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1wsf h ILE 53 CO 0.17 0.00 0.29 0.58 0.00 0.00 0.00 178.15 179.19 1wsf h VAL 54 N -1.00 0.86 -0.39 1.67 2.07 -1.10 0.25 116.25 118.60 1wsf h VAL 54 Ca -0.09 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1wsf h VAL 54 Cb 0.81 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1wsf h VAL 54 CO 0.10 0.10 0.14 0.00 0.02 0.00 0.00 177.57 177.92 1wsf h ALA 55 N 1.38 0.51 -0.43 1.67 0.00 -1.46 -2.86 119.26 118.08 1wsf h ALA 55 Ca 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1wsf h ALA 55 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1wsf h ALA 55 CO -0.24 0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.08 1wsf h LEU 56 N 0.49 0.75 0.00 0.00 3.38 -0.37 -2.84 115.31 116.71 1wsf h LEU 56 Ca 0.13 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1wsf h LEU 56 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1wsf h LEU 56 CO -0.01 0.87 0.00 -0.62 0.09 0.00 0.00 178.44 178.77 1wsf n GLU 57 N -4.41 0.17 0.00 1.13 1.02 0.82 -2.11 120.64 117.26 1wsf n GLU 57 Ca -0.00 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 1wsf n GLU 57 Cb 0.29 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.71 1wsf n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wsf n ALA 58 N -1.31 2.92 -2.57 0.62 0.00 -1.07 -4.81 120.51 114.28 1wsf n ALA 58 Ca 0.06 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1wsf n ALA 58 Cb 0.12 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 1wsf n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wsf s LEU 59 N -2.66 4.40 0.00 0.00 1.43 -0.90 -4.93 118.68 116.02 1wsf s LEU 59 Ca 0.22 1.75 0.23 0.00 -1.03 0.00 0.00 54.13 55.31 1wsf s LEU 59 Cb 0.19 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.97 1wsf s LEU 59 CO 0.54 -0.25 1.20 0.29 0.23 0.00 0.00 176.35 178.35 1wsf n LYS 60 N 3.65 1.62 -4.15 1.70 4.76 -1.26 -4.97 118.16 119.50 1wsf n LYS 60 Ca 0.06 -1.32 -0.11 0.00 -2.87 0.00 0.00 58.31 54.06 1wsf n LYS 60 Cb 0.50 -1.47 -0.09 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.29 1.30 -0.13 1.97 1.03 -1.26 -5.11 118.70 114.22 1wsf s GLU 61 Ca 0.23 -1.54 -0.29 0.00 0.03 0.00 0.00 54.97 53.40 1wsf s GLU 61 Cb 0.19 0.32 -0.03 0.00 -0.80 0.00 0.00 34.13 33.81 1wsf s GLU 61 CO 0.46 -0.46 1.43 -1.01 -1.33 0.00 0.00 175.26 174.35 1wsf s HIS 62 N -4.10 2.48 0.34 4.83 3.76 -1.26 -4.99 115.29 116.34 1wsf s HIS 62 Ca 0.35 0.67 0.08 0.00 -0.15 0.00 0.00 55.06 56.01 1wsf s HIS 62 Cb 0.05 -3.69 -0.07 0.00 1.11 0.00 0.00 32.58 29.98 1wsf s HIS 62 CO 0.12 -2.58 -0.05 0.00 -0.85 0.00 0.00 174.74 171.38 1wsf s GLU 64 N -3.68 2.80 -0.17 0.00 2.12 -0.17 -1.75 118.70 117.85 1wsf s GLU 64 Ca 0.33 -1.07 -0.04 0.00 0.36 0.00 0.00 54.97 54.55 1wsf s GLU 64 Cb 0.05 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1wsf s GLU 64 CO 0.15 -0.63 -0.04 0.08 -0.54 0.00 0.00 175.26 174.29 1wsf s VAL 65 N 1.48 3.79 -0.49 3.70 1.01 0.23 -1.66 120.40 128.46 1wsf s VAL 65 Ca 0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1wsf s VAL 65 Cb -0.19 -2.67 0.10 0.00 0.00 0.00 0.00 36.38 33.62 1wsf s VAL 65 CO 0.04 0.47 0.41 -0.51 0.00 0.00 0.00 175.10 175.52 1wsf s ILE 66 N 0.60 4.98 -0.27 2.22 2.07 -0.91 -0.56 121.20 129.33 1wsf s ILE 66 Ca -0.03 -1.36 -0.14 0.00 -1.41 0.00 0.00 60.65 57.72 1wsf s ILE 66 Cb -0.14 -4.10 -0.04 0.00 0.13 0.00 0.00 42.46 38.30 1wsf s ILE 66 CO 0.02 -0.71 0.33 -0.22 -1.91 0.00 0.00 174.94 172.46 1wsf s LEU 67 N 1.57 4.04 -0.16 8.50 0.20 -0.83 -1.68 118.68 130.32 1wsf s LEU 67 Ca 0.04 0.23 -0.03 0.00 0.69 0.00 0.00 54.13 55.05 1wsf s LEU 67 Cb -0.27 -2.36 -0.03 0.00 -0.43 0.00 0.00 46.19 43.11 1wsf s LEU 67 CO 0.04 -0.15 -0.05 -0.55 -0.29 0.00 0.00 176.35 175.36 1wsf s SER 68 N 1.63 4.69 -0.13 3.68 0.15 0.48 -1.24 113.70 122.96 1wsf s SER 68 Ca 0.13 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 1wsf s SER 68 Cb -0.16 -1.76 0.05 0.00 -1.71 0.00 0.00 66.02 62.44 1wsf s SER 68 CO 0.10 0.16 0.49 0.28 1.20 0.00 0.00 173.24 175.47 1wsf s THR 69 N 0.43 0.01 -2.46 6.45 -1.32 -0.98 -2.37 115.64 115.41 1wsf s THR 69 Ca -0.04 -0.10 0.23 0.00 -1.21 0.00 0.00 61.69 60.57 1wsf s THR 69 Cb -0.14 -0.73 0.42 0.00 -1.51 0.00 0.00 72.50 70.53 1wsf s THR 69 CO 0.03 -0.05 1.44 -0.90 -2.21 0.00 0.00 174.62 172.93 1wsf n ASP 70 N 2.20 2.80 -4.68 8.08 5.75 -1.26 -1.60 116.55 127.84 1wsf n ASP 70 Ca -0.16 -1.90 -0.42 0.00 -0.01 0.00 0.00 54.79 52.30 1wsf n ASP 70 Cb 0.56 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 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 -1.57 6.62 0.05 -1.12 0.15 -1.26 -4.72 113.70 111.86 1wsf s SER 71 Ca 0.36 2.41 -0.15 0.00 0.70 0.00 0.00 55.95 59.27 1wsf s SER 71 Cb 0.21 -2.55 -0.29 0.00 -1.71 0.00 0.00 66.02 61.67 1wsf s SER 71 CO 0.30 -0.91 1.10 1.56 1.20 0.00 0.00 173.24 176.49 1wsf h GLN 72 N 8.87 0.63 -0.20 5.44 7.50 -1.93 -2.38 115.11 133.03 1wsf h GLN 72 Ca -0.42 -0.84 -0.00 0.00 0.50 0.00 0.00 58.65 57.89 1wsf h GLN 72 Cb 1.20 0.28 -0.01 0.00 0.05 0.00 0.00 27.48 29.00 1wsf h GLN 72 CO 0.94 1.38 0.12 -0.92 -1.50 0.00 0.00 178.83 178.85 1wsf h TYR 73 N 0.28 0.27 -0.41 2.96 3.20 -1.98 0.49 116.97 121.78 1wsf h TYR 73 Ca -0.19 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.61 1wsf h TYR 73 Cb 1.93 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 40.10 1wsf h TYR 73 CO 0.12 0.23 0.01 0.28 -1.64 0.00 0.00 178.16 177.16 1wsf h VAL 74 N 0.23 1.26 -0.34 1.81 2.07 -1.93 -1.82 116.25 117.53 1wsf h VAL 74 Ca 0.07 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1wsf h VAL 74 Cb 0.04 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1wsf h VAL 74 CO -0.01 0.34 0.10 -0.09 0.02 0.00 0.00 177.57 177.92 1wsf h ARG 75 N 0.55 0.22 -0.41 1.57 2.43 -1.16 -0.19 114.38 117.40 1wsf h ARG 75 Ca 0.12 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 1wsf h ARG 75 Cb 0.46 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1wsf h ARG 75 CO 0.02 0.15 -0.05 1.96 -1.51 0.00 0.00 179.97 180.53 1wsf h GLN 76 N 0.23 0.69 -0.33 0.20 4.20 -0.76 0.10 115.11 119.44 1wsf h GLN 76 Ca 0.16 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 1wsf h GLN 76 Cb 0.15 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1wsf h GLN 76 CO -0.18 0.74 -0.29 0.78 -0.67 0.00 0.00 178.83 179.22 1wsf h GLY 77 N 0.95 0.84 0.54 3.46 0.00 -0.88 -1.97 103.07 106.01 1wsf h GLY 77 Ca 0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1wsf h GLY 77 CO 0.02 0.76 -0.15 -2.22 0.00 0.00 0.00 176.54 174.96 1wsf h ILE 78 N 0.54 0.60 0.00 2.60 1.08 -0.85 0.23 117.51 121.72 1wsf h ILE 78 Ca 0.06 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1wsf h ILE 78 Cb 0.86 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1wsf h ILE 78 CO 0.07 0.13 0.00 0.35 -0.69 0.00 0.00 178.15 178.01 1wsf n THR 79 N -5.09 0.00 0.00 -0.27 -2.24 0.00 -4.35 114.28 102.34 1wsf n THR 79 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1wsf n THR 79 Cb 0.27 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.89 0.00 0.00 -0.78 6.02 -0.74 -5.03 117.38 115.95 1wsf n GLN 80 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1wsf n GLN 80 Cb 0.07 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 30.84 1wsf n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wsf n TRP 81 N -2.10 0.00 -0.30 1.08 8.01 -0.52 -4.77 117.44 118.84 1wsf n TRP 81 Ca 0.00 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.25 1wsf n TRP 81 Cb 0.16 0.00 0.27 0.00 -2.01 0.00 0.00 31.31 29.73 1wsf n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wsf h ILE 82 N 0.00 1.01 0.30 -0.99 2.10 -0.81 0.21 117.51 119.34 1wsf h ILE 82 Ca 0.00 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.60 1wsf h ILE 82 Cb 0.11 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 35.81 1wsf h ILE 82 CO 0.00 0.17 -0.15 -0.74 -1.08 0.00 0.00 178.15 176.36 1wsf h HIS 83 N 0.96 -0.38 -0.33 2.19 2.76 -1.84 -2.30 115.15 116.21 1wsf h HIS 83 Ca 0.40 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.57 1wsf h HIS 83 Cb 0.31 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 1wsf h HIS 83 CO -0.00 -0.20 0.20 -0.91 -1.30 0.00 0.00 177.93 175.73 1wsf h ASN 84 N -0.46 0.34 -0.62 3.26 2.35 -1.65 -2.34 115.58 116.46 1wsf h ASN 84 Ca -0.04 -0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1wsf h ASN 84 Cb 0.35 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.56 1wsf h ASN 84 CO 0.07 0.25 0.20 -0.50 -1.65 0.00 0.00 177.43 175.80 1wsf h TRP 85 N 0.42 0.34 -0.93 1.19 6.55 -0.54 0.15 115.95 123.13 1wsf h TRP 85 Ca 0.13 0.03 0.02 0.00 0.95 0.00 0.00 58.89 60.02 1wsf h TRP 85 Cb -0.02 -0.06 -0.05 0.00 -0.86 0.00 0.00 29.16 28.17 1wsf h TRP 85 CO -0.07 0.05 0.61 -0.22 -1.05 0.00 0.00 178.44 177.77 1wsf h LYS 86 N 0.36 1.19 -0.46 0.49 3.11 -1.08 0.36 116.57 120.54 1wsf h LYS 86 Ca 0.32 -0.07 -0.09 0.00 -2.81 0.00 0.00 60.65 58.00 1wsf h LYS 86 Cb 0.44 -0.27 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1wsf h LYS 86 CO -0.35 0.79 -0.07 0.00 -2.81 0.00 0.00 179.45 177.01 1wsf h ALA 87 N 1.36 0.63 -0.14 5.00 0.00 -0.52 -2.98 119.26 122.61 1wsf h ALA 87 Ca 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wsf h ALA 87 Cb -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1wsf h ALA 87 CO -0.10 0.49 0.00 0.54 0.00 0.00 0.00 179.25 180.18 1wsf n ARG 88 N -4.29 1.70 -3.17 0.00 1.74 0.33 -4.87 116.66 108.10 1wsf n ARG 88 Ca 0.00 -0.68 -0.17 0.00 -0.77 0.00 0.00 57.85 56.24 1wsf n ARG 88 Cb 0.36 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.37 1wsf n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsf n GLY 89 N 0.38 -0.12 2.32 -0.13 0.00 -0.95 -3.10 105.19 103.58 1wsf n GLY 89 Ca 0.06 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.26 -0.19 -3.83 1.61 7.02 0.12 -4.96 117.44 112.96 1wsf n TRP 90 Ca -0.01 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.25 1wsf n TRP 90 Cb 0.55 -2.91 -0.04 0.00 -2.42 0.00 0.00 31.31 26.49 1wsf n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wsf s LYS 91 N -3.30 2.59 0.73 -0.99 1.02 -1.18 -2.33 119.74 116.28 1wsf s LYS 91 Ca 0.00 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1wsf s LYS 91 Cb 0.00 -2.37 0.14 0.00 -0.52 0.00 0.00 37.83 35.08 1wsf s LYS 91 CO 0.00 0.03 1.01 0.95 -0.92 0.00 0.00 175.35 176.41 1wsf s THR 92 N -2.38 2.05 0.26 2.17 -4.23 0.80 -4.82 115.64 109.49 1wsf s THR 92 Ca 0.42 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 1wsf s THR 92 Cb -0.04 -2.41 0.24 0.00 1.34 0.00 0.00 72.50 71.63 1wsf s THR 92 CO 0.26 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 176.07 1wsf h ALA 93 N -0.54 1.22 -0.80 3.99 0.00 -1.99 0.19 119.26 121.34 1wsf h ALA 93 Ca -0.34 0.12 -0.48 0.00 0.00 0.00 0.00 54.91 54.20 1wsf h ALA 93 Cb 1.26 0.07 -0.24 0.00 0.00 0.00 0.00 17.79 18.88 1wsf h ALA 93 CO 0.38 -0.20 0.61 -0.40 0.00 0.00 0.00 179.25 179.64 1wsf n ASP 94 N -4.97 5.40 -3.31 0.00 3.85 -1.26 -4.90 116.55 111.36 1wsf n ASP 94 Ca 0.17 -3.39 -0.24 0.00 -0.71 0.00 0.00 54.79 50.62 1wsf n ASP 94 Cb 0.47 -0.89 0.03 0.00 -1.35 0.00 0.00 41.12 39.38 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 -0.62 -4.79 -4.27 0.11 4.76 0.68 -5.01 118.16 109.02 1wsf n LYS 95 Ca 0.49 0.72 -0.32 0.00 -2.87 0.00 0.00 58.31 56.33 1wsf n LYS 95 Cb 1.04 -5.55 -0.09 0.00 -1.84 0.00 0.00 35.03 28.58 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 -5.99 2.66 0.29 1.97 1.02 -1.26 -4.72 119.74 113.70 1wsf s LYS 96 Ca 0.41 -0.71 -0.29 0.00 0.02 0.00 0.00 55.97 55.41 1wsf s LYS 96 Cb -0.20 -2.59 -0.14 0.00 -0.52 0.00 0.00 37.83 34.38 1wsf s LYS 96 CO 0.51 0.59 1.16 -2.30 -0.92 0.00 0.00 175.35 174.39 1wsf n PRO 97 N 1.17 1.65 -2.21 -1.68 -0.02 -1.26 -0.14 135.00 132.51 1wsf n PRO 97 Ca -0.14 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 1wsf n PRO 97 Cb 0.52 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.86 4.04 0.30 -1.45 -7.23 -0.98 -4.77 120.40 109.46 1wsf s VAL 98 Ca 0.60 1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 61.48 1wsf s VAL 98 Cb -0.67 -3.50 -0.11 0.00 0.56 0.00 0.00 36.38 32.66 1wsf s VAL 98 CO 0.59 -0.54 1.55 -0.75 -0.31 0.00 0.00 175.10 175.65 1wsf s LYS 99 N -3.98 4.14 -1.39 4.82 2.20 -1.26 -1.96 119.74 122.30 1wsf s LYS 99 Ca 0.62 2.54 -0.06 0.00 -0.36 0.00 0.00 55.97 58.71 1wsf s LYS 99 Cb -0.14 -3.02 0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1wsf s LYS 99 CO 0.33 -0.59 0.48 0.09 -0.36 0.00 0.00 175.35 175.31 1wsf n ASN 100 N 1.88 -4.81 -0.28 1.43 3.02 -1.26 -4.87 115.26 110.37 1wsf n ASN 100 Ca 0.07 -0.28 0.01 0.00 -0.03 0.00 0.00 54.58 54.34 1wsf n ASN 100 Cb 0.38 -3.94 0.14 0.00 -0.61 0.00 0.00 39.78 35.75 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 -1.03 0.98 -1.02 2.41 3.04 -1.78 -1.05 116.25 117.80 1wsf h VAL 101 Ca -0.46 -0.28 0.25 0.00 -1.01 0.00 0.00 66.70 65.19 1wsf h VAL 101 Cb 1.32 0.08 -0.11 0.00 -2.01 0.00 0.00 31.29 30.57 1wsf h VAL 101 CO 0.53 0.15 0.63 -2.24 -1.01 0.00 0.00 177.57 175.63 1wsf h ASP 102 N 0.82 0.59 0.08 3.17 2.03 -1.89 0.35 116.42 121.56 1wsf h ASP 102 Ca 0.36 0.11 -0.17 0.00 -0.73 0.00 0.00 57.03 56.59 1wsf h ASP 102 Cb 0.24 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 1wsf h ASP 102 CO -0.20 0.12 -0.84 -0.07 -1.03 0.00 0.00 179.24 177.22 1wsf h LEU 103 N 0.52 0.26 -1.56 0.15 3.38 -1.61 -3.09 115.31 113.36 1wsf h LEU 103 Ca 0.61 -0.88 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1wsf h LEU 103 Cb 1.30 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1wsf h LEU 103 CO -0.38 1.37 0.39 -0.50 0.09 0.00 0.00 178.44 179.40 1wsf h TRP 104 N -0.59 0.54 -0.32 1.13 4.06 -0.71 0.94 115.95 120.99 1wsf h TRP 104 Ca -0.18 0.01 -0.11 0.00 2.06 0.00 0.00 58.89 60.68 1wsf h TRP 104 Cb 1.47 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.45 1wsf h TRP 104 CO 0.18 0.28 -0.21 1.96 -3.56 0.00 0.00 178.44 177.10 1wsf h GLN 105 N 0.53 0.71 -0.20 0.49 4.20 -1.07 0.19 115.11 119.96 1wsf h GLN 105 Ca 0.25 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1wsf h GLN 105 Cb 0.32 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1wsf h GLN 105 CO -0.07 0.94 -0.17 0.00 -0.67 0.00 0.00 178.83 178.87 1wsf h ARG 106 N 0.48 0.34 0.05 1.46 3.08 -1.22 -1.02 114.38 117.55 1wsf h ARG 106 Ca 0.06 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1wsf h ARG 106 Cb 0.76 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1wsf h ARG 106 CO 0.06 0.50 -0.03 1.25 -1.07 0.00 0.00 179.97 180.69 1wsf h LEU 107 N 0.31 -0.06 -0.90 3.04 5.85 -0.66 -2.83 115.31 120.05 1wsf h LEU 107 Ca 0.06 -0.48 0.21 0.00 0.84 0.00 0.00 57.88 58.50 1wsf h LEU 107 Cb 0.48 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 1wsf h LEU 107 CO 0.03 0.47 0.43 -0.78 -0.34 0.00 0.00 178.44 178.25 1wsf h ASP 108 N -0.62 0.42 0.62 1.25 1.82 -0.28 0.18 116.42 119.80 1wsf h ASP 108 Ca -0.01 0.14 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1wsf h ASP 108 Cb 0.54 0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.65 1wsf h ASP 108 CO 0.01 0.06 -0.30 0.00 -1.61 0.00 0.00 179.24 177.40 1wsf h ALA 109 N 1.68 -0.84 -0.89 -0.78 0.00 -1.14 -1.63 119.26 115.66 1wsf h ALA 109 Ca 0.55 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.38 1wsf h ALA 109 Cb 1.00 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 19.04 1wsf h ALA 109 CO -0.49 -0.97 0.53 0.00 0.00 0.00 0.00 179.25 178.32 1wsf h ALA 110 N -0.45 1.29 0.11 0.00 0.00 -0.91 -1.97 119.26 117.33 1wsf h ALA 110 Ca -0.09 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wsf h ALA 110 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1wsf h ALA 110 CO 0.14 0.17 -0.14 -0.07 0.00 0.00 0.00 179.25 179.34 1wsf h LEU 111 N 0.88 -0.39 -0.67 0.00 3.38 -0.47 -1.37 115.31 116.66 1wsf h LEU 111 Ca 0.43 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1wsf h LEU 111 Cb 0.38 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wsf h LEU 111 CO -0.24 -0.22 0.03 0.61 0.09 0.00 0.00 178.44 178.71 1wsf n GLY 112 N -1.27 -0.65 0.17 0.83 0.00 -0.63 -1.15 105.19 102.48 1wsf n GLY 112 Ca -0.07 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1wsf n GLY 112 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wsf h GLN 113 N 0.00 0.00 -4.91 1.61 1.08 -0.95 -3.48 115.11 108.46 1wsf h GLN 113 Ca 0.00 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.77 1wsf h GLN 113 Cb 0.07 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.36 1wsf h GLN 113 CO 0.00 0.37 -0.56 -1.01 -0.95 0.00 0.00 178.83 176.68 1wsf s HIS 114 N -3.12 1.63 -0.49 2.96 3.76 -0.30 -4.52 115.29 115.22 1wsf s HIS 114 Ca 0.04 -1.35 -0.19 0.00 -0.15 0.00 0.00 55.06 53.41 1wsf s HIS 114 Cb 0.07 -0.90 0.05 0.00 1.11 0.00 0.00 32.58 32.91 1wsf s HIS 114 CO 0.71 -0.48 0.61 -1.14 -0.85 0.00 0.00 174.74 173.59 1wsf s GLN 115 N -3.81 3.14 -0.08 1.40 2.00 -0.72 -4.95 119.66 116.65 1wsf s GLN 115 Ca 0.35 -0.79 -0.11 0.00 -2.00 0.00 0.00 55.36 52.80 1wsf s GLN 115 Cb 0.05 -4.06 -0.05 0.00 0.80 0.00 0.00 33.01 29.75 1wsf s GLN 115 CO 0.17 -1.15 0.27 0.42 -0.50 0.00 0.00 175.29 174.50 1wsf s ILE 116 N 2.61 5.29 -0.24 -2.34 -1.09 -1.26 -0.60 121.20 123.55 1wsf s ILE 116 Ca 0.16 0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1wsf s ILE 116 Cb -0.18 -3.56 0.07 0.00 -1.58 0.00 0.00 42.46 37.21 1wsf s ILE 116 CO 0.13 0.57 0.03 -0.75 -1.23 0.00 0.00 174.94 173.69 1wsf s LYS 117 N -0.83 0.98 0.15 2.79 2.20 0.28 -4.96 119.74 120.35 1wsf s LYS 117 Ca 0.19 -0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 54.70 1wsf s LYS 117 Cb -0.14 -2.26 -0.07 0.00 -1.51 0.00 0.00 37.83 33.85 1wsf s LYS 117 CO 0.08 -0.74 0.84 -1.58 -0.36 0.00 0.00 175.35 173.59 1wsf s TRP 118 N 1.62 3.87 -0.32 4.03 0.52 -1.26 -1.96 118.94 125.44 1wsf s TRP 118 Ca 0.01 1.68 0.03 0.00 0.02 0.00 0.00 56.10 57.84 1wsf s TRP 118 Cb -0.18 -2.87 0.09 0.00 -1.15 0.00 0.00 33.47 29.37 1wsf s TRP 118 CO -0.12 0.40 0.04 -2.00 0.02 0.00 0.00 176.95 175.29 1wsf s GLU 119 N -0.73 1.43 -0.13 4.98 2.12 -0.38 -4.95 118.70 121.06 1wsf s GLU 119 Ca 0.39 -1.65 -0.23 0.00 0.36 0.00 0.00 54.97 53.84 1wsf s GLU 119 Cb -0.23 -2.95 -0.03 0.00 0.26 0.00 0.00 34.13 31.18 1wsf s GLU 119 CO 0.27 -0.89 0.71 -1.58 -0.54 0.00 0.00 175.26 173.23 1wsf s TRP 120 N 1.06 3.48 0.36 5.30 0.52 -1.26 -2.31 118.94 126.09 1wsf s TRP 120 Ca 0.08 1.17 0.08 0.00 0.02 0.00 0.00 56.10 57.44 1wsf s TRP 120 Cb -0.19 -2.86 -0.03 0.00 -1.15 0.00 0.00 33.47 29.25 1wsf s TRP 120 CO -0.10 -0.06 0.27 0.08 0.02 0.00 0.00 176.95 177.15 1wsf s VAL 121 N 1.44 3.17 -0.35 4.03 1.01 -0.63 -4.97 120.40 124.10 1wsf s VAL 121 Ca 0.35 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1wsf s VAL 121 Cb -0.17 -3.09 0.11 0.00 0.00 0.00 0.00 36.38 33.23 1wsf s VAL 121 CO 0.14 -0.13 0.12 -1.59 0.00 0.00 0.00 175.10 173.65 1wsf s LYS 122 N -3.98 1.06 0.00 2.72 0.00 -1.26 -4.31 119.74 113.97 1wsf s LYS 122 Ca 0.42 -1.53 0.00 0.00 0.00 0.00 0.00 55.97 54.86 1wsf s LYS 122 Cb -0.04 -2.39 0.00 0.00 0.00 0.00 0.00 37.83 35.40 1wsf s LYS 122 CO 0.26 -1.02 0.00 0.41 0.00 0.00 0.00 175.35 175.00 1wsf n GLY 123 N 4.35 0.64 3.54 0.59 0.00 -1.26 -3.90 105.19 109.15 1wsf n GLY 123 Ca 0.02 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1wsf n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wsf n HIS 124 N 0.00 0.85 -2.22 1.61 -0.00 -1.26 -4.61 115.22 109.60 1wsf n HIS 124 Ca 0.00 0.06 0.04 0.00 -0.00 0.00 0.00 57.72 57.82 1wsf n HIS 124 Cb 0.00 -2.06 0.05 0.00 -0.00 0.00 0.00 29.99 27.97 1wsf n HIS 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1wsf n ALA 125 N 13.94 2.46 -2.87 1.59 0.00 -1.25 -5.03 120.51 129.35 1wsf n ALA 125 Ca 0.53 -2.22 -0.12 0.00 0.00 0.00 0.00 53.44 51.62 1wsf n ALA 125 Cb 0.33 -0.62 0.06 0.00 0.00 0.00 0.00 19.45 19.22 1wsf n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wsf n GLY 126 N 0.10 -0.68 2.78 0.00 0.00 -1.26 -5.01 105.19 101.12 1wsf n GLY 126 Ca 0.07 0.37 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 1wsf n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wsf s HIS 127 N -3.30 2.76 0.06 1.61 4.02 -1.26 -5.02 115.29 114.16 1wsf s HIS 127 Ca 0.34 -2.96 -0.12 0.00 1.02 0.00 0.00 55.06 53.34 1wsf s HIS 127 Cb -0.04 -2.24 -0.03 0.00 -1.02 0.00 0.00 32.58 29.24 1wsf s HIS 127 CO 0.57 -0.67 0.79 -2.30 1.02 0.00 0.00 174.74 174.15 1wsf n PRO 128 N 2.61 -0.17 -0.13 8.40 -0.02 -1.26 0.05 135.00 144.48 1wsf n PRO 128 Ca 0.17 0.78 -0.02 0.00 -2.02 0.00 0.00 63.50 62.41 1wsf n PRO 128 Cb 0.37 -1.15 0.21 0.00 -0.02 0.00 0.00 33.50 32.91 1wsf n PRO 128 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wsf h GLU 129 N 0.00 0.82 -0.48 -0.52 3.07 -1.98 0.67 114.58 116.16 1wsf h GLU 129 Ca 0.06 -0.15 -0.11 0.00 -0.50 0.00 0.00 59.36 58.67 1wsf h GLU 129 Cb 0.16 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 1wsf h GLU 129 CO -0.37 0.71 -0.13 -0.91 -1.40 0.00 0.00 179.01 176.91 1wsf h ASN 130 N 0.79 0.91 -0.03 1.42 4.21 -0.75 -0.92 115.58 121.20 1wsf h ASN 130 Ca 0.18 -0.30 -0.23 0.00 1.21 0.00 0.00 56.30 57.16 1wsf h ASN 130 Cb 0.24 -0.25 0.01 0.00 -1.12 0.00 0.00 38.32 37.20 1wsf h ASN 130 CO -0.01 1.04 -0.84 -0.33 -1.29 0.00 0.00 177.43 176.00 1wsf h GLU 131 N 0.81 0.70 -0.33 0.81 3.07 -0.66 -2.60 114.58 116.37 1wsf h GLU 131 Ca 0.13 -0.62 0.01 0.00 -0.50 0.00 0.00 59.36 58.38 1wsf h GLU 131 Cb 0.67 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.70 1wsf h GLU 131 CO 0.05 1.23 0.22 -0.09 -1.40 0.00 0.00 179.01 179.02 1wsf h ARG 132 N 0.46 0.39 -0.35 2.33 2.43 -0.68 -0.77 114.38 118.19 1wsf h ARG 132 Ca -0.07 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 1wsf h ARG 132 Cb 1.47 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.93 1wsf h ARG 132 CO 0.17 0.26 -0.44 0.00 -1.51 0.00 0.00 179.97 178.45 1wsf h ALA 134 N 0.76 1.30 -0.29 0.00 0.00 -0.75 -0.45 119.26 119.83 1wsf h ALA 134 Ca 0.05 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1wsf h ALA 134 Cb 1.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wsf h ALA 134 CO 0.10 0.02 -0.50 0.93 0.00 0.00 0.00 179.25 179.81 1wsf h GLU 135 N 0.74 0.85 -0.91 0.00 4.39 -1.40 -1.10 114.58 117.16 1wsf h GLU 135 Ca 0.45 -0.53 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1wsf h GLU 135 Cb 0.54 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.20 1wsf h GLU 135 CO -0.31 1.16 0.60 -0.07 -1.16 0.00 0.00 179.01 179.23 1wsf h LEU 136 N 0.63 1.01 -0.16 1.33 3.38 -1.13 0.87 115.31 121.25 1wsf h LEU 136 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wsf h LEU 136 Cb 1.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wsf h LEU 136 CO 0.11 0.71 -0.02 0.00 0.09 0.00 0.00 178.44 179.33 1wsf h ALA 137 N 1.36 0.22 -0.55 1.53 0.00 -1.03 0.00 119.26 120.79 1wsf h ALA 137 Ca 0.35 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1wsf h ALA 137 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wsf h ALA 137 CO -0.10 -0.04 0.01 -0.09 0.00 0.00 0.00 179.25 179.03 1wsf h ARG 138 N 0.01 0.96 -0.46 0.00 2.43 -0.66 0.30 114.38 116.97 1wsf h ARG 138 Ca 0.04 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 1wsf h ARG 138 Cb 0.44 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1wsf h ARG 138 CO 0.01 0.96 0.17 0.00 -1.51 0.00 0.00 179.97 179.60 1wsf h ALA 139 N 0.96 0.60 -0.73 2.80 0.00 0.76 -1.51 119.26 122.14 1wsf h ALA 139 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wsf h ALA 139 Cb 0.53 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1wsf h ALA 139 CO 0.03 0.22 0.48 0.00 0.00 0.00 0.00 179.25 179.98 1wsf h ALA 140 N 1.02 0.93 0.00 0.00 0.00 -0.65 -0.76 119.26 119.79 1wsf h ALA 140 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wsf h ALA 140 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wsf h ALA 140 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1wsf n ALA 141 N -2.30 1.42 1.17 0.00 0.00 0.10 -0.99 120.51 119.91 1wsf n ALA 141 Ca 0.07 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1wsf n ALA 141 Cb 0.02 -1.33 0.28 0.00 0.00 0.00 0.00 19.45 18.43 1wsf n ALA 141 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1wsf n MET 142 N -2.13 0.76 -3.09 0.00 2.81 -0.32 -4.33 117.12 110.82 1wsf n MET 142 Ca 0.01 -0.49 -0.17 0.00 -1.81 0.00 0.00 57.70 55.23 1wsf n MET 142 Cb 0.15 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 -0.69 -0.02 -4.72 7.83 4.05 -0.17 -5.09 115.26 116.46 1wsf n ASN 143 Ca 0.11 -3.07 -0.42 0.00 0.45 0.00 0.00 54.58 51.65 1wsf n ASN 143 Cb 0.36 -0.09 -0.03 0.00 1.23 0.00 0.00 39.78 41.26 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 -1.56 4.37 0.00 1.20 0.04 -1.11 -4.52 135.00 133.42 1wsf s PRO 144 Ca 0.36 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1wsf s PRO 144 Cb 0.29 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1wsf s PRO 144 CO -0.09 -0.35 0.33 0.25 0.04 0.00 0.00 177.00 177.17 1wsf n THR 145 N 3.87 0.00 -4.23 1.26 -2.24 -0.80 -4.77 114.28 107.37 1wsf n THR 145 Ca 0.10 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1wsf n THR 145 Cb 0.44 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.69 2.45 0.03 3.22 1.43 -1.10 -5.04 118.68 118.98 1wsf s LEU 146 Ca 0.00 -1.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 1wsf s LEU 146 Cb 0.00 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 1wsf s LEU 146 CO 0.00 -0.42 0.06 -1.83 0.23 0.00 0.00 176.35 174.39 1wsf s GLU 147 N -3.81 2.93 -1.30 1.70 -1.05 -1.26 -2.19 118.70 113.71 1wsf s GLU 147 Ca 0.17 -0.59 -0.14 0.00 -0.15 0.00 0.00 54.97 54.26 1wsf s GLU 147 Cb 0.04 -2.76 0.11 0.00 -0.44 0.00 0.00 34.13 31.08 1wsf s GLU 147 CO -0.00 0.61 1.79 -3.47 0.95 0.00 0.00 175.26 175.14 1wsf n ASP 148 N 0.98 4.83 0.06 0.83 4.64 -1.26 -4.80 116.55 121.83 1wsf n ASP 148 Ca -0.12 -2.96 0.20 0.00 -1.38 0.00 0.00 54.79 50.53 1wsf n ASP 148 Cb 0.52 -1.62 0.63 0.00 -1.04 0.00 0.00 41.12 39.61 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 4.56 0.19 0.00 5.18 1.35 -1.95 0.31 112.91 122.55 1wsf h THR 149 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.29 1wsf h THR 149 Cb 0.77 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1wsf h THR 149 CO 1.53 0.00 -0.56 1.23 -0.25 0.00 0.00 175.52 177.46 1wsf h GLY 150 N 0.00 0.00 -5.20 5.82 0.00 -1.99 -3.45 103.07 98.25 1wsf h GLY 150 Ca 0.23 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.00 1wsf h GLY 150 CO -0.00 0.00 1.00 -0.47 0.00 0.00 0.00 176.54 177.07 1wsf s TYR 151 N -3.29 2.37 -0.73 5.60 6.04 0.10 -4.94 117.35 122.49 1wsf s TYR 151 Ca 0.03 0.55 -0.25 0.00 0.04 0.00 0.00 57.07 57.44 1wsf s TYR 151 Cb 0.08 -3.74 0.05 0.00 -1.04 0.00 0.00 41.96 37.31 1wsf s TYR 151 CO 0.73 -2.91 1.17 -1.14 -1.54 0.00 0.00 175.55 171.86 1wsf s GLN 152 N 3.75 3.19 -0.29 4.97 -0.44 -1.26 -4.95 119.66 124.62 1wsf s GLN 152 Ca 0.65 -0.54 -0.29 0.00 -2.50 0.00 0.00 55.36 52.69 1wsf s GLN 152 Cb -0.28 -4.27 -0.07 0.00 -1.64 0.00 0.00 33.01 26.75 1wsf s GLN 152 CO 0.23 -2.02 2.25 0.28 0.50 0.00 0.00 175.29 176.53 1wsf n VAL 153 N 6.22 0.25 -1.22 1.34 0.31 -1.26 -4.77 118.33 119.19 1wsf n VAL 153 Ca 0.02 -0.47 -0.02 0.00 -0.01 0.00 0.00 64.34 63.87 1wsf n VAL 153 Cb 0.48 -2.41 0.23 0.00 -0.91 0.00 0.00 33.84 31.23 1wsf n VAL 153 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1wsf n GLU 154 N 8.70 2.48 0.00 5.55 -0.00 -1.26 -5.25 120.64 130.86 1wsf n GLU 154 Ca 0.34 -3.04 0.00 0.00 -0.00 0.00 0.00 57.16 54.46 1wsf n GLU 154 Cb 0.42 -1.91 0.00 0.00 -0.00 0.00 0.00 31.44 29.95 1wsf n GLU 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41