#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 3.50 0.19 -0.89 1.02 -1.26 -4.93 118.68 116.30 1wsf s LEU 2 Ca 0.00 2.21 -0.32 0.00 0.02 0.00 0.00 54.13 56.05 1wsf s LEU 2 Cb 0.00 -4.58 -0.11 0.00 0.02 0.00 0.00 46.19 41.52 1wsf s LEU 2 CO 0.00 -1.71 1.72 -0.54 0.02 0.00 0.00 176.35 175.83 1wsf s LYS 3 N -3.73 4.14 -0.23 1.70 1.02 -1.26 -4.65 119.74 116.73 1wsf s LYS 3 Ca 0.72 2.57 -0.20 0.00 0.02 0.00 0.00 55.97 59.09 1wsf s LYS 3 Cb -0.26 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1wsf s LYS 3 CO 0.38 -0.75 0.59 -0.65 -0.92 0.00 0.00 175.35 174.00 1wsf s GLN 4 N 1.45 4.14 0.01 1.68 -1.52 -1.26 -0.52 119.66 123.64 1wsf s GLN 4 Ca 0.75 0.50 0.05 0.00 -1.95 0.00 0.00 55.36 54.71 1wsf s GLN 4 Cb -0.48 -3.62 -0.01 0.00 -0.22 0.00 0.00 33.01 28.68 1wsf s GLN 4 CO 0.33 -0.31 -0.15 0.08 -0.25 0.00 0.00 175.29 174.98 1wsf s VAL 5 N 2.17 1.19 -0.17 1.09 1.01 -0.06 -4.63 120.40 121.00 1wsf s VAL 5 Ca 0.25 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1wsf s VAL 5 Cb -0.16 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1wsf s VAL 5 CO 0.09 0.24 0.01 -1.61 0.00 0.00 0.00 175.10 173.83 1wsf s GLU 6 N -0.60 3.79 -0.12 2.72 2.02 -0.71 -1.69 118.70 124.11 1wsf s GLU 6 Ca 0.05 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.61 1wsf s GLU 6 Cb -0.06 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.12 1wsf s GLU 6 CO 0.00 0.23 -0.15 0.42 0.02 0.00 0.00 175.26 175.78 1wsf s ILE 7 N 0.43 1.52 -0.05 -1.63 1.01 -0.82 0.30 121.20 121.96 1wsf s ILE 7 Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1wsf s ILE 7 Cb -0.13 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1wsf s ILE 7 CO 0.02 0.45 -0.14 -0.36 0.00 0.00 0.00 174.94 174.91 1wsf s PHE 8 N 1.17 2.72 0.04 3.97 0.08 -0.62 0.12 117.98 125.47 1wsf s PHE 8 Ca -0.02 -0.16 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 1wsf s PHE 8 Cb -0.14 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1wsf s PHE 8 CO -0.05 0.18 0.19 0.95 -0.10 0.00 0.00 175.22 176.40 1wsf s THR 9 N -0.69 0.11 -0.07 0.64 -4.23 -0.66 -1.36 115.64 109.38 1wsf s THR 9 Ca 0.11 -0.88 -0.23 0.00 -1.18 0.00 0.00 61.69 59.51 1wsf s THR 9 Cb -0.11 -0.88 0.05 0.00 1.34 0.00 0.00 72.50 72.90 1wsf s THR 9 CO 0.01 -0.48 0.52 -0.62 -0.54 0.00 0.00 174.62 173.51 1wsf s ASP 10 N -2.04 -0.48 0.26 3.99 2.15 -0.17 -4.29 116.67 116.10 1wsf s ASP 10 Ca -0.06 0.56 0.12 0.00 0.43 0.00 0.00 52.55 53.60 1wsf s ASP 10 Cb -0.01 0.56 -0.05 0.00 -0.30 0.00 0.00 42.92 43.12 1wsf s ASP 10 CO -0.03 -0.48 -0.20 -0.83 -0.17 0.00 0.00 175.17 173.46 1wsf s GLY 11 N -0.97 1.85 -0.16 2.66 0.00 -1.26 -1.16 107.32 108.27 1wsf s GLY 11 Ca -0.10 -1.83 -0.17 0.00 0.00 0.00 0.00 44.72 42.62 1wsf s GLY 11 CO 0.06 -1.91 0.47 -0.45 0.00 0.00 0.00 173.10 171.28 1wsf s SER 12 N -3.36 -0.48 -0.13 1.64 0.15 0.10 -4.86 113.70 106.76 1wsf s SER 12 Ca 0.28 0.89 -0.07 0.00 0.70 0.00 0.00 55.95 57.75 1wsf s SER 12 Cb -0.06 0.91 0.05 0.00 -1.71 0.00 0.00 66.02 65.21 1wsf s SER 12 CO 0.14 -0.20 0.30 0.00 1.20 0.00 0.00 173.24 174.69 1wsf n LEU 14 N 4.08 0.31 0.00 0.00 4.77 -0.26 -4.90 117.00 120.99 1wsf n LEU 14 Ca -0.23 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1wsf n LEU 14 Cb 0.54 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1wsf n LEU 14 CO 0.13 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1wsf n GLY 15 N 1.35 4.96 0.00 -0.72 0.00 -1.26 -4.93 105.19 104.59 1wsf n GLY 15 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.00 -4.68 1.61 5.15 -1.26 -4.56 115.26 111.51 1wsf n ASN 16 Ca 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 1wsf n ASN 16 Cb 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 39.78 39.39 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 0.00 1.12 0.00 1.20 0.04 -1.26 -5.03 135.00 131.06 1wsf s PRO 17 Ca 0.00 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1wsf s PRO 17 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wsf s PRO 17 CO 0.00 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.26 1wsf n GLY 18 N -2.52 -1.17 3.76 0.56 0.00 -0.00 -4.83 105.19 100.99 1wsf n GLY 18 Ca 0.08 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.83 3.47 0.33 1.61 0.02 -1.09 0.13 135.00 137.63 1wsf s PRO 19 Ca 0.00 2.02 -0.14 0.00 0.02 0.00 0.00 61.00 62.90 1wsf s PRO 19 Cb 0.00 -2.35 0.03 0.00 0.02 0.00 0.00 34.50 32.19 1wsf s PRO 19 CO 0.00 -0.86 0.66 0.20 -0.33 0.00 0.00 177.00 176.66 1wsf s GLY 20 N -1.12 0.49 0.24 0.52 0.00 -0.11 -1.11 107.32 106.24 1wsf s GLY 20 Ca 0.67 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 44.39 1wsf s GLY 20 CO 0.42 -0.44 0.62 -0.32 0.00 0.00 0.00 173.10 173.38 1wsf s GLY 21 N -3.05 -0.05 0.10 0.20 0.00 0.89 0.01 107.32 105.42 1wsf s GLY 21 Ca 0.18 -0.30 0.06 0.00 0.00 0.00 0.00 44.72 44.67 1wsf s GLY 21 CO 0.11 -0.19 -0.16 -2.52 0.00 0.00 0.00 173.10 170.35 1wsf s TYR 22 N -3.91 1.44 -0.03 1.90 -0.85 -0.82 -0.72 117.35 114.36 1wsf s TYR 22 Ca 0.11 -0.47 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 1wsf s TYR 22 Cb -0.03 -0.78 0.03 0.00 0.38 0.00 0.00 41.96 41.55 1wsf s TYR 22 CO 0.03 0.13 0.01 0.20 -1.52 0.00 0.00 175.55 174.40 1wsf s GLY 23 N -2.01 0.21 0.04 5.49 0.00 -0.31 -3.11 107.32 107.62 1wsf s GLY 23 Ca 0.04 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 1wsf s GLY 23 CO 0.03 0.70 0.06 0.00 0.00 0.00 0.00 173.10 173.89 1wsf s ALA 24 N 1.15 0.04 -0.03 3.20 0.00 -0.73 -1.00 121.76 124.39 1wsf s ALA 24 Ca -0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1wsf s ALA 24 Cb -0.13 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1wsf s ALA 24 CO -0.02 -0.31 0.08 0.42 0.00 0.00 0.00 175.76 175.93 1wsf s ILE 25 N -2.66 -0.02 -0.12 0.00 1.01 -0.46 -1.26 121.20 117.69 1wsf s ILE 25 Ca -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1wsf s ILE 25 Cb -0.01 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.31 1wsf s ILE 25 CO -0.05 0.03 -0.11 -0.76 0.00 0.00 0.00 174.94 174.05 1wsf s LEU 26 N 0.44 2.88 -0.19 2.97 1.02 -0.44 -1.59 118.68 123.76 1wsf s LEU 26 Ca -0.03 -0.23 0.01 0.00 0.02 0.00 0.00 54.13 53.89 1wsf s LEU 26 Cb -0.05 -1.65 0.04 0.00 0.02 0.00 0.00 46.19 44.55 1wsf s LEU 26 CO -0.02 0.22 -0.12 -0.60 0.02 0.00 0.00 176.35 175.85 1wsf s ARG 27 N 0.06 2.18 -0.13 1.70 3.52 0.15 -1.23 118.95 125.20 1wsf s ARG 27 Ca -0.04 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.74 1wsf s ARG 27 Cb -0.14 -2.42 0.02 0.00 -1.56 0.00 0.00 34.95 30.85 1wsf s ARG 27 CO 0.04 -0.39 -0.14 -0.47 -0.81 0.00 0.00 175.30 173.53 1wsf s TYR 28 N 1.38 2.03 -1.69 5.12 6.14 -1.26 -1.73 117.35 127.33 1wsf s TYR 28 Ca -0.00 -1.06 -0.13 0.00 0.64 0.00 0.00 57.07 56.52 1wsf s TYR 28 Cb -0.16 -1.49 0.12 0.00 0.42 0.00 0.00 41.96 40.85 1wsf s TYR 28 CO -0.09 -0.57 0.45 0.54 0.64 0.00 0.00 175.55 176.52 1wsf n ARG 29 N 4.54 -1.68 0.00 4.97 1.74 -1.26 0.18 116.66 125.15 1wsf n ARG 29 Ca -0.17 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1wsf n ARG 29 Cb 0.51 -4.46 0.00 0.00 -1.02 0.00 0.00 32.46 27.49 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 -1.69 2.75 0.00 -0.13 0.00 -1.26 -4.98 105.19 99.88 1wsf n GLY 30 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 0.00 0.00 1.61 5.12 0.13 -5.10 116.66 116.42 1wsf n ARG 31 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1wsf n ARG 31 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1wsf n ARG 31 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1wsf n GLU 32 N 0.00 0.00 -5.04 5.56 2.13 -1.25 -4.74 120.64 117.31 1wsf n GLU 32 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1wsf n GLU 32 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 1wsf n GLU 32 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1wsf s LYS 33 N -5.82 1.85 0.22 5.31 1.02 -0.36 -4.95 119.74 117.01 1wsf s LYS 33 Ca 0.00 -0.98 0.08 0.00 0.02 0.00 0.00 55.97 55.08 1wsf s LYS 33 Cb 0.00 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1wsf s LYS 33 CO 0.00 0.51 0.06 0.99 -0.92 0.00 0.00 175.35 175.99 1wsf s THR 34 N -0.69 3.89 -0.09 2.17 2.01 -1.26 -1.33 115.64 120.34 1wsf s THR 34 Ca 0.10 -1.52 -0.10 0.00 0.31 0.00 0.00 61.69 60.48 1wsf s THR 34 Cb -0.10 -3.03 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1wsf s THR 34 CO 0.01 -0.24 0.27 -0.36 -0.69 0.00 0.00 174.62 173.61 1wsf s PHE 35 N -1.99 -0.28 -0.17 4.92 0.08 -0.39 -4.98 117.98 115.18 1wsf s PHE 35 Ca 0.30 0.66 -0.29 0.00 0.12 0.00 0.00 56.93 57.72 1wsf s PHE 35 Cb -0.08 0.10 0.11 0.00 -0.57 0.00 0.00 43.02 42.58 1wsf s PHE 35 CO 0.21 -0.18 0.94 -1.54 -0.10 0.00 0.00 175.22 174.55 1wsf s SER 36 N -0.07 -0.45 -0.13 1.36 1.04 -1.26 -1.78 113.70 112.41 1wsf s SER 36 Ca -0.02 0.57 -0.29 0.00 0.48 0.00 0.00 55.95 56.69 1wsf s SER 36 Cb -0.03 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.66 1wsf s SER 36 CO 0.01 -0.35 0.76 0.00 0.98 0.00 0.00 173.24 174.63 1wsf s ALA 37 N -0.84 -1.81 -0.02 5.32 0.00 -1.18 -5.00 121.76 118.23 1wsf s ALA 37 Ca -0.02 1.56 0.08 0.00 0.00 0.00 0.00 51.96 53.58 1wsf s ALA 37 Cb -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1wsf s ALA 37 CO 0.02 -0.35 -0.25 0.20 0.00 0.00 0.00 175.76 175.38 1wsf s GLY 38 N -0.72 1.25 -0.04 0.00 0.00 -1.26 -1.95 107.32 104.60 1wsf s GLY 38 Ca -0.06 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.62 1wsf s GLY 38 CO 0.06 -0.92 -0.24 -0.19 0.00 0.00 0.00 173.10 171.80 1wsf s TYR 39 N -0.61 2.42 0.31 1.90 1.51 0.10 -1.72 117.35 121.27 1wsf s TYR 39 Ca 0.10 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1wsf s TYR 39 Cb -0.10 -1.56 0.67 0.00 -0.11 0.00 0.00 41.96 40.86 1wsf s TYR 39 CO -0.01 -0.11 1.85 1.79 -1.11 0.00 0.00 175.55 177.96 1wsf h THR 40 N 4.76 0.88 -3.06 -0.71 1.35 -1.00 -0.25 112.91 114.88 1wsf h THR 40 Ca -0.38 -0.30 -0.32 0.00 -0.55 0.00 0.00 66.41 64.86 1wsf h THR 40 Cb 1.15 -0.06 -0.37 0.00 -1.73 0.00 0.00 68.15 67.14 1wsf h THR 40 CO 0.47 0.16 -0.66 -0.60 -0.25 0.00 0.00 175.52 174.64 1wsf s ARG 41 N -5.84 0.04 0.00 4.72 6.06 -1.25 -2.68 118.95 119.99 1wsf s ARG 41 Ca -0.11 0.44 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 1wsf s ARG 41 Cb 0.22 -0.55 0.00 0.00 0.06 0.00 0.00 34.95 34.68 1wsf s ARG 41 CO 0.80 -0.38 0.00 -2.37 -2.50 0.00 0.00 175.30 170.85 1wsf n THR 42 N 5.32 0.00 -4.32 4.11 5.66 0.35 -4.10 114.28 121.30 1wsf n THR 42 Ca -0.05 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.78 1wsf n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.65 1.57 0.15 1.09 -4.23 -1.26 -0.82 115.64 109.49 1wsf s THR 43 Ca 0.00 -2.17 -0.16 0.00 -1.18 0.00 0.00 61.69 58.18 1wsf s THR 43 Cb 0.00 -1.99 0.02 0.00 1.34 0.00 0.00 72.50 71.87 1wsf s THR 43 CO 0.00 -0.64 1.78 -1.13 -0.54 0.00 0.00 174.62 174.09 1wsf h ASN 44 N 2.62 0.52 -0.69 3.99 -1.24 -1.87 -2.24 115.58 116.68 1wsf h ASN 44 Ca -0.38 -0.06 0.14 0.00 0.71 0.00 0.00 56.30 56.72 1wsf h ASN 44 Cb 1.21 -0.13 -0.10 0.00 0.73 0.00 0.00 38.32 40.03 1wsf h ASN 44 CO 0.62 0.43 0.17 0.78 -1.29 0.00 0.00 177.43 178.14 1wsf h ASN 45 N 0.57 0.03 0.26 1.15 -0.26 -1.97 0.24 115.58 115.60 1wsf h ASN 45 Ca 0.15 0.13 -0.13 0.00 -0.56 0.00 0.00 56.30 55.90 1wsf h ASN 45 Cb 0.00 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1wsf h ASN 45 CO -0.03 -0.01 -0.49 0.03 -1.06 0.00 0.00 177.43 175.87 1wsf h ARG 46 N 0.28 0.27 -0.23 0.81 3.08 -1.90 -1.92 114.38 114.77 1wsf h ARG 46 Ca 0.38 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 60.14 1wsf h ARG 46 Cb 0.61 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1wsf h ARG 46 CO -0.47 0.71 -0.41 0.52 -1.07 0.00 0.00 179.97 179.25 1wsf h MET 47 N 0.22 0.55 0.00 0.04 2.86 -0.39 -0.87 114.93 117.34 1wsf h MET 47 Ca 0.01 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 1wsf h MET 47 Cb 0.94 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1wsf h MET 47 CO 0.08 0.87 -0.43 0.93 1.06 0.00 0.00 176.91 179.42 1wsf h GLU 48 N 0.45 0.00 0.10 1.72 5.08 -0.32 -1.04 114.58 120.57 1wsf h GLU 48 Ca 0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.24 1wsf h GLU 48 Cb 0.91 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.17 1wsf h GLU 48 CO 0.08 0.43 -0.75 -0.07 -1.00 0.00 0.00 179.01 177.70 1wsf h LEU 49 N 0.00 0.32 -1.05 1.33 3.38 -1.18 -3.31 115.31 114.80 1wsf h LEU 49 Ca -0.00 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 57.13 1wsf h LEU 49 Cb 0.84 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 1wsf h LEU 49 CO 0.06 1.34 0.63 -0.03 0.09 0.00 0.00 178.44 180.53 1wsf h MET 50 N -0.54 1.05 -0.12 1.13 4.05 -1.05 -0.73 114.93 118.72 1wsf h MET 50 Ca -0.15 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.25 1wsf h MET 50 Cb 1.49 -0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 32.02 1wsf h MET 50 CO 0.08 0.69 -0.12 0.00 0.23 0.00 0.00 176.91 177.79 1wsf h ALA 51 N 1.50 -0.04 -0.53 0.39 0.00 -1.31 -0.52 119.26 118.75 1wsf h ALA 51 Ca 0.45 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1wsf h ALA 51 Cb 0.30 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1wsf h ALA 51 CO -0.20 -0.58 0.32 0.00 0.00 0.00 0.00 179.25 178.80 1wsf h ALA 52 N 0.92 0.68 0.45 0.00 0.00 -1.39 -2.45 119.26 117.48 1wsf h ALA 52 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wsf h ALA 52 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wsf h ALA 52 CO -0.21 0.16 -0.36 0.82 0.00 0.00 0.00 179.25 179.66 1wsf h ILE 53 N 0.72 0.26 -0.85 0.00 2.04 -0.68 -1.21 117.51 117.78 1wsf h ILE 53 Ca 0.19 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.18 1wsf h ILE 53 Cb -0.02 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 36.23 1wsf h ILE 53 CO -0.04 0.00 0.46 0.58 0.00 0.00 0.00 178.15 179.15 1wsf h VAL 54 N -0.81 0.79 0.54 1.67 2.07 -1.06 0.34 116.25 119.79 1wsf h VAL 54 Ca -0.04 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1wsf h VAL 54 Cb 0.70 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1wsf h VAL 54 CO -0.01 0.13 -0.26 0.00 0.02 0.00 0.00 177.57 177.45 1wsf h ALA 55 N 1.53 -0.72 -0.98 1.67 0.00 -1.21 -2.65 119.26 116.91 1wsf h ALA 55 Ca 0.45 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1wsf h ALA 55 Cb 0.57 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1wsf h ALA 55 CO -0.32 -0.79 0.60 -0.07 0.00 0.00 0.00 179.25 178.67 1wsf h LEU 56 N -0.96 0.88 -1.14 0.00 3.38 -0.76 -1.86 115.31 114.85 1wsf h LEU 56 Ca -0.07 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1wsf h LEU 56 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1wsf h LEU 56 CO 0.12 0.46 -0.29 -0.33 0.09 0.00 0.00 178.44 178.49 1wsf h GLU 57 N 0.95 0.00 0.00 1.13 5.08 -0.95 -2.53 114.58 118.26 1wsf h GLU 57 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1wsf h GLU 57 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1wsf h GLU 57 CO -0.27 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1wsf h ALA 58 N 1.71 1.00 -2.52 3.43 0.00 -0.95 -3.42 119.26 118.51 1wsf h ALA 58 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1wsf h ALA 58 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1wsf h ALA 58 CO 0.04 0.00 0.40 -0.51 0.00 0.00 0.00 179.25 179.18 1wsf s LEU 59 N -4.62 4.44 -0.33 0.00 1.43 -0.95 -4.93 118.68 113.73 1wsf s LEU 59 Ca 0.02 1.81 0.07 0.00 -1.03 0.00 0.00 54.13 55.00 1wsf s LEU 59 Cb 0.09 -3.58 0.48 0.00 0.03 0.00 0.00 46.19 43.20 1wsf s LEU 59 CO 0.35 -0.19 1.42 2.29 0.23 0.00 0.00 176.35 180.45 1wsf n LYS 60 N 3.23 2.41 -3.62 1.70 0.00 -1.26 -4.99 118.16 115.62 1wsf n LYS 60 Ca 0.04 -3.50 -0.05 0.00 -0.00 0.00 0.00 58.31 54.79 1wsf n LYS 60 Cb 0.49 -1.98 -0.05 0.00 -0.00 0.00 0.00 35.03 33.49 1wsf n LYS 60 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1wsf s GLU 61 N -3.42 0.26 0.21 -1.58 2.12 -1.26 -5.12 118.70 109.91 1wsf s GLU 61 Ca 0.48 0.13 -0.32 0.00 0.36 0.00 0.00 54.97 55.61 1wsf s GLU 61 Cb 0.42 0.12 -0.13 0.00 0.26 0.00 0.00 34.13 34.80 1wsf s GLU 61 CO -0.00 -0.07 1.54 0.72 -0.54 0.00 0.00 175.26 176.91 1wsf n HIS 62 N 0.97 2.37 -4.03 5.30 8.25 -1.26 -4.97 115.22 121.85 1wsf n HIS 62 Ca -0.06 0.30 -0.08 0.00 -0.26 0.00 0.00 57.72 57.62 1wsf n HIS 62 Cb 0.58 -2.54 -0.09 0.00 1.12 0.00 0.00 29.99 29.06 1wsf n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wsf s GLU 64 N -3.93 3.74 -0.12 0.00 2.12 0.32 -1.16 118.70 119.66 1wsf s GLU 64 Ca 0.11 -0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.23 1wsf s GLU 64 Cb 0.07 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 1wsf s GLU 64 CO -0.07 -0.46 -0.12 0.08 -0.54 0.00 0.00 175.26 174.15 1wsf s VAL 65 N 2.11 3.19 -0.43 3.70 1.01 0.05 -0.88 120.40 129.15 1wsf s VAL 65 Ca 0.14 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1wsf s VAL 65 Cb -0.16 -2.33 0.10 0.00 0.00 0.00 0.00 36.38 33.99 1wsf s VAL 65 CO 0.11 0.53 0.26 -0.51 0.00 0.00 0.00 175.10 175.49 1wsf s ILE 66 N 0.18 3.83 -0.41 2.22 1.10 -0.68 0.05 121.20 127.49 1wsf s ILE 66 Ca -0.07 -1.76 -0.17 0.00 -0.51 0.00 0.00 60.65 58.14 1wsf s ILE 66 Cb -0.15 -3.49 0.02 0.00 0.15 0.00 0.00 42.46 38.99 1wsf s ILE 66 CO 0.05 -0.64 0.44 -0.22 -2.11 0.00 0.00 174.94 172.45 1wsf s LEU 67 N 1.30 4.76 -0.20 8.50 0.20 -0.05 -1.95 118.68 131.23 1wsf s LEU 67 Ca 0.05 -0.56 -0.17 0.00 0.69 0.00 0.00 54.13 54.14 1wsf s LEU 67 Cb -0.24 -2.40 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 1wsf s LEU 67 CO -0.01 -0.55 0.45 -0.55 -0.29 0.00 0.00 176.35 175.40 1wsf s SER 68 N 1.80 6.49 0.01 3.68 0.15 0.12 -1.38 113.70 124.57 1wsf s SER 68 Ca 0.13 0.59 -0.13 0.00 0.70 0.00 0.00 55.95 57.23 1wsf s SER 68 Cb -0.17 -2.26 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 1wsf s SER 68 CO 0.13 -0.11 0.28 0.28 1.20 0.00 0.00 173.24 175.02 1wsf s THR 69 N 1.41 0.07 -1.15 6.45 -1.32 -1.03 -1.65 115.64 118.42 1wsf s THR 69 Ca 0.21 -0.58 0.13 0.00 -1.21 0.00 0.00 61.69 60.24 1wsf s THR 69 Cb -0.15 -0.70 0.34 0.00 -1.51 0.00 0.00 72.50 70.48 1wsf s THR 69 CO 0.09 -0.32 1.27 -0.90 -2.21 0.00 0.00 174.62 172.55 1wsf n ASP 70 N 1.08 3.02 -4.64 8.08 5.75 -1.26 -1.83 116.55 126.74 1wsf n ASP 70 Ca -0.21 -1.96 -0.43 0.00 -0.01 0.00 0.00 54.79 52.18 1wsf n ASP 70 Cb 0.57 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.01 6.71 0.32 -1.12 0.15 -1.26 -4.78 113.70 112.71 1wsf s SER 71 Ca 0.27 1.37 0.14 0.00 0.70 0.00 0.00 55.95 58.42 1wsf s SER 71 Cb 0.14 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.43 1wsf s SER 71 CO 0.19 -1.02 1.68 -0.61 1.20 0.00 0.00 173.24 174.67 1wsf h GLN 72 N 9.17 0.00 -0.16 5.44 -0.00 -1.94 -2.51 115.11 125.10 1wsf h GLN 72 Ca -0.27 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.32 1wsf h GLN 72 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.58 1wsf h GLN 72 CO 1.01 0.50 -0.14 -0.92 0.00 0.00 0.00 178.83 179.28 1wsf h TYR 73 N 0.00 0.46 -0.36 3.99 3.20 -1.99 -1.98 116.97 120.29 1wsf h TYR 73 Ca -0.00 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.63 1wsf h TYR 73 Cb 0.99 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1wsf h TYR 73 CO 0.00 0.75 -0.20 0.28 -1.64 0.00 0.00 178.16 177.35 1wsf h VAL 74 N 0.03 1.27 -0.41 1.81 2.07 -1.93 -1.06 116.25 118.02 1wsf h VAL 74 Ca 0.03 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1wsf h VAL 74 Cb 0.66 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1wsf h VAL 74 CO 0.04 0.42 0.27 -0.09 0.02 0.00 0.00 177.57 178.23 1wsf h ARG 75 N 0.61 0.55 -0.65 1.57 2.43 -1.38 0.03 114.38 117.54 1wsf h ARG 75 Ca 0.09 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1wsf h ARG 75 Cb 0.68 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1wsf h ARG 75 CO 0.05 0.37 0.07 1.96 -1.51 0.00 0.00 179.97 180.92 1wsf h GLN 76 N 0.56 1.08 0.55 0.20 4.20 -1.12 -1.51 115.11 119.07 1wsf h GLN 76 Ca 0.15 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1wsf h GLN 76 Cb -0.05 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 27.61 1wsf h GLN 76 CO -0.03 1.01 -0.26 0.78 -0.67 0.00 0.00 178.83 179.66 1wsf h GLY 77 N 1.03 -0.77 1.98 3.46 0.00 -0.70 0.17 103.07 108.24 1wsf h GLY 77 Ca 0.19 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1wsf h GLY 77 CO 0.02 -0.28 0.01 -2.22 0.00 0.00 0.00 176.54 174.07 1wsf h ILE 78 N -0.91 1.00 -0.29 2.60 1.08 -1.02 0.41 117.51 120.38 1wsf h ILE 78 Ca -0.08 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1wsf h ILE 78 Cb 0.62 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1wsf h ILE 78 CO 0.12 0.00 0.00 0.35 -0.69 0.00 0.00 178.15 177.94 1wsf n THR 79 N -4.54 1.23 0.00 -0.27 -2.24 -0.57 -4.64 114.28 103.25 1wsf n THR 79 Ca -0.03 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1wsf n THR 79 Cb 0.09 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.19 0.00 -0.00 -0.78 6.02 0.58 -4.99 117.38 118.40 1wsf n GLN 80 Ca 0.12 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.12 1wsf n GLN 80 Cb 0.49 -0.42 -0.01 0.00 1.02 0.00 0.00 30.24 31.32 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 -1.52 0.00 0.09 1.08 8.01 -0.97 -4.70 117.44 119.43 1wsf n TRP 81 Ca 0.00 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.06 1wsf n TRP 81 Cb 0.00 -0.03 -0.07 0.00 -2.01 0.00 0.00 31.31 29.20 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 0.20 0.20 -0.99 6.09 -1.19 0.64 117.51 122.46 1wsf h ILE 82 Ca 0.00 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.50 1wsf h ILE 82 Cb 0.08 0.20 -0.04 0.00 0.47 0.00 0.00 36.82 37.53 1wsf h ILE 82 CO 0.00 0.00 -0.49 -0.74 -3.07 0.00 0.00 178.15 173.85 1wsf h HIS 83 N -0.59 -1.39 -0.16 2.19 2.76 -1.86 -2.86 115.15 113.24 1wsf h HIS 83 Ca 0.04 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1wsf h HIS 83 Cb 0.64 0.58 -0.07 0.00 1.55 0.00 0.00 27.41 30.11 1wsf h HIS 83 CO -0.37 -0.57 -0.50 -0.91 -1.30 0.00 0.00 177.93 174.28 1wsf h ASN 84 N -0.76 -1.57 -0.90 3.26 2.35 -1.80 -1.51 115.58 114.65 1wsf h ASN 84 Ca -0.02 0.20 0.31 0.00 -0.55 0.00 0.00 56.30 56.23 1wsf h ASN 84 Cb 0.73 0.63 -0.16 0.00 0.05 0.00 0.00 38.32 39.56 1wsf h ASN 84 CO -0.21 -0.46 0.23 0.79 -1.65 0.00 0.00 177.43 176.13 1wsf n TRP 85 N -5.43 0.79 0.19 1.19 8.01 0.20 0.17 117.44 122.56 1wsf n TRP 85 Ca -0.05 1.07 -0.13 0.00 -1.31 0.00 0.00 57.50 57.09 1wsf n TRP 85 Cb 0.37 -1.31 -0.07 0.00 -2.01 0.00 0.00 31.31 28.29 1wsf n TRP 85 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1wsf h LYS 86 N 0.00 -0.50 0.00 -0.99 1.57 -1.10 2.58 116.57 118.13 1wsf h LYS 86 Ca 0.64 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1wsf h LYS 86 Cb 1.53 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1wsf h LYS 86 CO -0.77 -0.19 0.00 0.00 -0.57 0.00 0.00 179.45 177.92 1wsf n ALA 87 N -2.57 1.58 -0.76 3.86 0.00 0.13 -0.85 120.51 121.89 1wsf n ALA 87 Ca -0.09 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1wsf n ALA 87 Cb 0.28 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.73 1wsf n ALA 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wsf n ARG 88 N -0.74 1.27 -2.12 0.00 5.12 0.07 -4.99 116.66 115.27 1wsf n ARG 88 Ca 0.01 -1.19 -0.12 0.00 -1.93 0.00 0.00 57.85 54.61 1wsf n ARG 88 Cb 0.00 -0.81 -0.01 0.00 -1.16 0.00 0.00 32.46 30.48 1wsf n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wsf n GLY 89 N -0.36 0.05 3.02 -0.13 0.00 -0.03 -3.10 105.19 104.64 1wsf n GLY 89 Ca 0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.83 -1.86 -4.08 1.61 7.02 0.86 -5.00 117.44 112.16 1wsf n TRP 90 Ca -0.14 0.78 -0.11 0.00 -1.02 0.00 0.00 57.50 57.00 1wsf n TRP 90 Cb 0.58 -4.49 -0.11 0.00 -2.42 0.00 0.00 31.31 24.88 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 -5.01 0.59 0.00 -0.99 1.02 -1.18 -3.99 119.74 110.18 1wsf s LYS 91 Ca 0.05 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1wsf s LYS 91 Cb -0.01 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1wsf s LYS 91 CO 0.61 -0.00 0.00 0.25 -0.92 0.00 0.00 175.35 175.29 1wsf n THR 92 N 0.91 0.00 -0.04 2.17 -2.24 0.40 -4.70 114.28 110.79 1wsf n THR 92 Ca -0.19 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1wsf n THR 92 Cb 0.57 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.82 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 -2.00 0.02 -0.49 6.98 0.00 -2.00 -3.26 119.26 118.51 1wsf h ALA 93 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 1wsf h ALA 93 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1wsf h ALA 93 CO 0.00 -0.07 0.40 -0.40 0.00 0.00 0.00 179.25 179.18 1wsf n ASP 94 N -4.67 5.74 -3.34 0.00 5.68 -1.26 -4.87 116.55 113.82 1wsf n ASP 94 Ca -0.09 -3.01 -0.16 0.00 -0.50 0.00 0.00 54.79 51.03 1wsf n ASP 94 Cb 0.39 -0.96 0.07 0.00 -1.14 0.00 0.00 41.12 39.49 1wsf n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1wsf n LYS 95 N 0.17 -3.86 -4.12 0.11 4.76 -1.23 -5.04 118.16 108.95 1wsf n LYS 95 Ca 0.30 0.84 -0.12 0.00 -2.87 0.00 0.00 58.31 56.47 1wsf n LYS 95 Cb 0.70 -5.77 -0.11 0.00 -1.84 0.00 0.00 35.03 28.01 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 -4.84 0.70 0.43 1.97 1.02 -1.26 -4.82 119.74 112.93 1wsf s LYS 96 Ca 0.28 -1.08 -0.26 0.00 0.02 0.00 0.00 55.97 54.93 1wsf s LYS 96 Cb -0.04 -0.25 -0.09 0.00 -0.52 0.00 0.00 37.83 36.93 1wsf s LYS 96 CO 0.74 0.02 1.45 -2.14 -0.92 0.00 0.00 175.35 174.50 1wsf s PRO 97 N -2.81 3.82 0.33 -1.68 0.02 -1.26 0.15 135.00 133.56 1wsf s PRO 97 Ca 0.02 2.49 -0.22 0.00 0.02 0.00 0.00 61.00 63.30 1wsf s PRO 97 Cb -0.02 -2.76 -0.10 0.00 0.02 0.00 0.00 34.50 31.65 1wsf s PRO 97 CO -0.02 -0.73 0.88 0.14 -0.33 0.00 0.00 177.00 176.93 1wsf s VAL 98 N -1.17 4.38 0.00 3.83 -7.23 -1.26 -4.72 120.40 114.24 1wsf s VAL 98 Ca 0.58 1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 61.99 1wsf s VAL 98 Cb -0.45 -3.84 -0.06 0.00 0.56 0.00 0.00 36.38 32.59 1wsf s VAL 98 CO 0.59 0.01 1.54 -0.75 -0.31 0.00 0.00 175.10 176.18 1wsf s LYS 99 N -2.40 4.23 -0.62 4.82 2.20 -1.26 -2.58 119.74 124.13 1wsf s LYS 99 Ca 0.52 2.12 -0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1wsf s LYS 99 Cb -0.15 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1wsf s LYS 99 CO 0.20 -0.70 0.01 0.09 -0.36 0.00 0.00 175.35 174.59 1wsf n ASN 100 N 5.92 -2.73 -0.36 1.43 3.02 -1.26 -4.93 115.26 116.36 1wsf n ASN 100 Ca 0.15 -0.01 0.08 0.00 -0.03 0.00 0.00 54.58 54.77 1wsf n ASN 100 Cb 0.42 -2.04 0.25 0.00 -0.61 0.00 0.00 39.78 37.81 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 -0.02 0.89 -0.39 2.41 3.04 -1.91 0.20 116.25 120.47 1wsf h VAL 101 Ca -0.17 -0.33 0.06 0.00 -1.01 0.00 0.00 66.70 65.24 1wsf h VAL 101 Cb 1.13 -0.16 -0.05 0.00 -2.01 0.00 0.00 31.29 30.20 1wsf h VAL 101 CO 0.20 0.18 0.10 -2.24 -1.01 0.00 0.00 177.57 174.80 1wsf h ASP 102 N 0.97 0.06 0.05 3.17 2.03 -1.92 0.30 116.42 121.07 1wsf h ASP 102 Ca 0.51 0.06 -0.27 0.00 -0.73 0.00 0.00 57.03 56.60 1wsf h ASP 102 Cb 0.55 0.07 0.02 0.00 -0.83 0.00 0.00 39.33 39.14 1wsf h ASP 102 CO -0.28 0.07 -1.10 -0.07 -1.03 0.00 0.00 179.24 176.83 1wsf h LEU 103 N 0.24 0.87 -0.40 0.15 3.38 -1.65 -2.89 115.31 115.01 1wsf h LEU 103 Ca 0.19 -0.78 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 1wsf h LEU 103 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1wsf h LEU 103 CO -0.23 1.55 0.24 -0.50 0.09 0.00 0.00 178.44 179.60 1wsf h TRP 104 N 0.30 0.53 -0.88 1.13 4.06 -0.41 -0.15 115.95 120.53 1wsf h TRP 104 Ca -0.15 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.80 1wsf h TRP 104 Cb 1.76 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 29.71 1wsf h TRP 104 CO 0.11 0.37 0.55 1.96 -3.56 0.00 0.00 178.44 177.87 1wsf h GLN 105 N 0.53 1.18 -0.57 0.49 4.20 -0.49 0.44 115.11 120.89 1wsf h GLN 105 Ca 0.14 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1wsf h GLN 105 Cb -0.00 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 1wsf h GLN 105 CO -0.03 0.82 0.14 0.00 -0.67 0.00 0.00 178.83 179.09 1wsf h ARG 106 N 1.21 0.90 -0.05 1.46 3.08 -1.19 -0.67 114.38 119.12 1wsf h ARG 106 Ca 0.32 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1wsf h ARG 106 Cb -0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 1wsf h ARG 106 CO -0.06 0.84 0.02 1.25 -1.07 0.00 0.00 179.97 180.94 1wsf h LEU 107 N 0.81 0.08 -0.87 3.04 5.85 -0.55 -1.07 115.31 122.60 1wsf h LEU 107 Ca 0.18 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1wsf h LEU 107 Cb 0.34 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 1wsf h LEU 107 CO 0.00 0.24 0.50 -0.78 -0.34 0.00 0.00 178.44 178.06 1wsf h ASP 108 N -0.09 0.70 -0.62 1.25 -0.00 -0.75 0.16 116.42 117.07 1wsf h ASP 108 Ca 0.02 0.06 -0.05 0.00 -0.00 0.00 0.00 57.03 57.05 1wsf h ASP 108 Cb 0.19 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 39.42 1wsf h ASP 108 CO -0.00 0.37 0.17 0.00 -0.00 0.00 0.00 179.24 179.78 1wsf h ALA 109 N 1.50 0.81 0.00 -0.78 0.00 -0.76 -2.56 119.26 117.46 1wsf h ALA 109 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wsf h ALA 109 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wsf h ALA 109 CO -0.28 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1wsf n ALA 110 N -2.41 1.96 0.05 0.00 0.00 -0.29 -3.28 120.51 116.53 1wsf n ALA 110 Ca 0.04 0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 1wsf n ALA 110 Cb 0.23 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.11 1wsf n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wsf h LEU 111 N 0.00 0.41 -0.43 0.00 3.38 -0.39 -3.30 115.31 114.99 1wsf h LEU 111 Ca 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1wsf h LEU 111 Cb 0.54 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wsf h LEU 111 CO 0.00 1.56 0.00 0.61 0.09 0.00 0.00 178.44 180.70 1wsf n GLY 112 N 1.76 -0.93 0.17 0.83 0.00 -1.00 -2.27 105.19 103.75 1wsf n GLY 112 Ca -0.21 0.04 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.61 1.08 -1.65 -3.47 115.11 112.68 1wsf h GLN 113 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1wsf h GLN 113 Cb 0.18 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.49 1wsf h GLN 113 CO 0.00 0.00 -0.44 0.72 -0.95 0.00 0.00 178.83 178.16 1wsf n HIS 114 N -2.60 -0.82 -3.42 2.96 8.25 -0.96 -4.44 115.22 114.18 1wsf n HIS 114 Ca 0.04 -2.72 -0.44 0.00 -0.26 0.00 0.00 57.72 54.34 1wsf n HIS 114 Cb 0.40 0.30 -0.05 0.00 1.12 0.00 0.00 29.99 31.77 1wsf n HIS 114 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1wsf s GLN 115 N -3.29 3.12 0.27 -0.41 2.00 -0.31 -4.98 119.66 116.06 1wsf s GLN 115 Ca 0.38 -2.19 -0.22 0.00 -2.00 0.00 0.00 55.36 51.33 1wsf s GLN 115 Cb 0.02 -4.21 -0.09 0.00 0.80 0.00 0.00 33.01 29.53 1wsf s GLN 115 CO 0.27 -1.27 0.83 0.42 -0.50 0.00 0.00 175.29 175.04 1wsf s ILE 116 N 0.65 4.41 -0.19 -2.34 -1.09 -1.26 -0.77 121.20 120.61 1wsf s ILE 116 Ca 0.12 1.52 -0.05 0.00 -2.23 0.00 0.00 60.65 60.02 1wsf s ILE 116 Cb -0.19 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.84 1wsf s ILE 116 CO -0.04 0.16 0.09 -0.54 -1.23 0.00 0.00 174.94 173.38 1wsf s LYS 117 N -2.04 0.17 0.06 2.79 1.02 0.11 -4.92 119.74 116.92 1wsf s LYS 117 Ca 0.47 -0.19 -0.27 0.00 0.02 0.00 0.00 55.97 55.99 1wsf s LYS 117 Cb -0.17 -1.81 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 1wsf s LYS 117 CO 0.22 -0.71 0.85 -1.58 -0.92 0.00 0.00 175.35 173.21 1wsf s TRP 118 N 2.09 3.75 -0.41 3.18 0.52 -1.26 -0.88 118.94 125.93 1wsf s TRP 118 Ca 0.02 1.60 0.02 0.00 0.02 0.00 0.00 56.10 57.77 1wsf s TRP 118 Cb -0.16 -2.93 0.11 0.00 -1.15 0.00 0.00 33.47 29.34 1wsf s TRP 118 CO -0.12 0.22 0.15 -2.00 0.02 0.00 0.00 176.95 175.22 1wsf s GLU 119 N 0.09 1.76 -0.37 4.98 2.12 -0.48 -4.92 118.70 121.88 1wsf s GLU 119 Ca 0.43 -2.08 -0.24 0.00 0.36 0.00 0.00 54.97 53.44 1wsf s GLU 119 Cb -0.21 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1wsf s GLU 119 CO 0.26 -1.02 0.81 -1.58 -0.54 0.00 0.00 175.26 173.19 1wsf s TRP 120 N 0.61 3.10 0.48 5.30 0.52 -1.26 -2.45 118.94 125.24 1wsf s TRP 120 Ca 0.12 0.58 0.05 0.00 0.02 0.00 0.00 56.10 56.88 1wsf s TRP 120 Cb -0.21 -3.45 0.08 0.00 -1.15 0.00 0.00 33.47 28.74 1wsf s TRP 120 CO -0.05 -0.76 0.66 1.33 0.02 0.00 0.00 176.95 178.15 1wsf n VAL 121 N 5.83 0.00 -3.63 4.03 0.24 -0.76 -4.98 118.33 119.05 1wsf n VAL 121 Ca 0.04 -1.41 -0.27 0.00 -2.04 0.00 0.00 64.34 60.65 1wsf n VAL 121 Cb 0.48 -0.73 -0.16 0.00 -1.47 0.00 0.00 33.84 31.96 1wsf n VAL 121 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1wsf s LYS 122 N -4.14 0.28 0.03 7.34 1.02 -1.26 -4.54 119.74 118.46 1wsf s LYS 122 Ca 0.48 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.15 1wsf s LYS 122 Cb -0.03 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1wsf s LYS 122 CO 0.31 -0.76 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 1wsf n GLY 123 N 5.19 -2.58 0.17 -3.33 0.00 -1.26 -4.72 105.19 98.65 1wsf n GLY 123 Ca -0.07 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.07 0.88 -1.23 1.61 3.86 -1.92 -3.46 115.15 114.82 1wsf h HIS 124 Ca -0.01 -0.50 -0.72 0.00 -1.16 0.00 0.00 60.37 57.98 1wsf h HIS 124 Cb 0.07 -0.09 0.07 0.00 1.06 0.00 0.00 27.41 28.52 1wsf h HIS 124 CO 0.00 1.33 -0.06 0.00 0.86 0.00 0.00 177.93 180.06 1wsf n ALA 125 N -2.64 -2.72 -1.02 2.45 0.00 -1.26 -1.32 120.51 114.00 1wsf n ALA 125 Ca -0.12 0.52 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 1wsf n ALA 125 Cb 0.83 -1.78 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.79 0.48 2.65 0.00 0.00 -1.26 -4.97 105.19 103.88 1wsf n GLY 126 Ca 0.18 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.98 -0.00 0.17 1.61 4.02 -0.44 -5.04 115.29 113.63 1wsf s HIS 127 Ca 0.00 -1.20 -0.27 0.00 1.02 0.00 0.00 55.06 54.61 1wsf s HIS 127 Cb 0.00 -0.51 0.02 0.00 -1.02 0.00 0.00 32.58 31.07 1wsf s HIS 127 CO 0.00 -0.95 1.56 -1.35 1.02 0.00 0.00 174.74 175.02 1wsf h PRO 128 N 6.63 -0.16 -0.12 8.40 0.11 -1.94 0.22 132.00 145.15 1wsf h PRO 128 Ca 0.09 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.25 1wsf h PRO 128 Cb 1.02 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1wsf h PRO 128 CO 0.22 -0.11 -0.10 0.93 -0.21 0.00 0.00 178.00 178.74 1wsf h GLU 129 N -0.16 -0.11 -0.84 1.05 3.07 -1.96 0.77 114.58 116.39 1wsf h GLU 129 Ca 0.19 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1wsf h GLU 129 Cb 0.54 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 1wsf h GLU 129 CO -0.78 -0.07 0.44 -0.91 -1.40 0.00 0.00 179.01 176.29 1wsf h ASN 130 N -0.11 1.06 -0.37 1.42 4.21 -1.74 -0.38 115.58 119.66 1wsf h ASN 130 Ca 0.08 -0.10 0.05 0.00 1.21 0.00 0.00 56.30 57.54 1wsf h ASN 130 Cb 0.23 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 37.12 1wsf h ASN 130 CO -0.19 0.86 0.10 -0.08 -1.29 0.00 0.00 177.43 176.83 1wsf h GLU 131 N 1.18 0.23 -0.91 0.81 4.57 0.14 -1.26 114.58 119.34 1wsf h GLU 131 Ca 0.29 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1wsf h GLU 131 Cb 0.05 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1wsf h GLU 131 CO -0.04 0.15 0.51 -0.09 -1.18 0.00 0.00 179.01 178.35 1wsf h ARG 132 N 0.23 1.26 -0.49 1.92 2.43 -0.13 -2.62 114.38 116.99 1wsf h ARG 132 Ca 0.17 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1wsf h ARG 132 Cb 0.18 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1wsf h ARG 132 CO -0.20 0.92 0.13 0.00 -1.51 0.00 0.00 179.97 179.31 1wsf h ALA 134 N 1.43 0.94 0.29 0.00 0.00 -0.92 -0.97 119.26 120.05 1wsf h ALA 134 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1wsf h ALA 134 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wsf h ALA 134 CO -0.01 0.61 -0.14 0.93 0.00 0.00 0.00 179.25 180.64 1wsf h GLU 135 N 0.52 -0.38 -0.96 0.00 5.08 -1.13 -0.02 114.58 117.68 1wsf h GLU 135 Ca 0.06 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.61 1wsf h GLU 135 Cb 0.77 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.02 1wsf h GLU 135 CO 0.06 -0.11 0.61 -0.07 -1.00 0.00 0.00 179.01 178.50 1wsf h LEU 136 N -0.62 0.74 -0.56 1.33 3.38 -1.30 0.16 115.31 118.44 1wsf h LEU 136 Ca -0.04 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1wsf h LEU 136 Cb 0.45 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1wsf h LEU 136 CO 0.07 0.34 -0.11 0.00 0.09 0.00 0.00 178.44 178.83 1wsf h ALA 137 N 1.60 0.76 -0.19 1.53 0.00 -0.80 -1.04 119.26 121.12 1wsf h ALA 137 Ca 0.50 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1wsf h ALA 137 Cb 0.76 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1wsf h ALA 137 CO -0.27 0.68 -0.72 0.00 0.00 0.00 0.00 179.25 178.93 1wsf h ARG 138 N 0.92 0.81 -0.64 0.00 3.08 0.01 -1.69 114.38 116.87 1wsf h ARG 138 Ca 0.14 -0.62 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1wsf h ARG 138 Cb 0.68 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1wsf h ARG 138 CO 0.05 1.23 0.35 0.00 -1.07 0.00 0.00 179.97 180.53 1wsf h ALA 139 N 0.60 1.40 -0.18 0.04 0.00 -0.94 0.66 119.26 120.84 1wsf h ALA 139 Ca -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1wsf h ALA 139 Cb 1.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1wsf h ALA 139 CO 0.15 0.49 -0.03 0.00 0.00 0.00 0.00 179.25 179.86 1wsf h ALA 140 N 1.49 0.25 -0.40 0.00 0.00 -1.10 -2.93 119.26 116.56 1wsf h ALA 140 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wsf h ALA 140 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1wsf h ALA 140 CO -0.04 -0.00 0.20 0.00 0.00 0.00 0.00 179.25 179.41 1wsf h ALA 141 N 0.74 1.60 0.00 0.00 0.00 -0.54 -1.14 119.26 119.92 1wsf h ALA 141 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wsf h ALA 141 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wsf h ALA 141 CO 0.02 0.33 0.00 -1.33 0.00 0.00 0.00 179.25 178.26 1wsf n MET 142 N -4.42 0.24 -3.18 0.00 2.81 0.15 -3.83 117.12 108.89 1wsf n MET 142 Ca 0.03 0.04 -0.19 0.00 -1.81 0.00 0.00 57.70 55.77 1wsf n MET 142 Cb 0.11 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.09 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 -1.36 0.69 -4.75 7.83 4.05 -0.46 -5.08 115.26 116.18 1wsf n ASN 143 Ca 0.10 -2.98 -0.41 0.00 0.45 0.00 0.00 54.58 51.74 1wsf n ASN 143 Cb 0.25 -0.58 -0.02 0.00 1.23 0.00 0.00 39.78 40.66 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 -2.23 4.20 0.00 1.20 0.04 -1.03 -4.66 135.00 132.52 1wsf s PRO 144 Ca 0.39 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1wsf s PRO 144 Cb 0.33 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1wsf s PRO 144 CO -0.08 -0.51 0.00 0.25 0.04 0.00 0.00 177.00 176.69 1wsf n THR 145 N 2.15 0.00 -4.49 1.26 -2.24 -0.70 -4.82 114.28 105.44 1wsf n THR 145 Ca 0.07 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 1wsf n THR 145 Cb 0.39 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.98 2.46 0.12 3.22 1.43 -0.87 -4.99 118.68 118.07 1wsf s LEU 146 Ca 0.00 -1.33 0.08 0.00 -1.03 0.00 0.00 54.13 51.86 1wsf s LEU 146 Cb 0.00 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1wsf s LEU 146 CO 0.00 -0.49 -0.14 -1.83 0.23 0.00 0.00 176.35 174.12 1wsf s GLU 147 N -3.79 1.94 -0.90 1.70 -1.05 -1.26 -0.36 118.70 114.98 1wsf s GLU 147 Ca 0.34 -1.14 -0.21 0.00 -0.15 0.00 0.00 54.97 53.82 1wsf s GLU 147 Cb 0.08 -2.19 0.10 0.00 -0.44 0.00 0.00 34.13 31.68 1wsf s GLU 147 CO 0.15 0.48 1.17 0.34 0.95 0.00 0.00 175.26 178.36 1wsf s ASP 148 N -2.26 6.51 0.36 0.83 3.68 -1.26 -4.86 116.67 119.68 1wsf s ASP 148 Ca 0.20 -1.69 0.10 0.00 2.13 0.00 0.00 52.55 53.29 1wsf s ASP 148 Cb -0.11 -2.44 0.84 0.00 -1.45 0.00 0.00 42.92 39.76 1wsf s ASP 148 CO 0.12 -1.25 1.88 0.74 0.13 0.00 0.00 175.17 176.79 1wsf h THR 149 N 6.07 0.84 -0.27 1.71 2.02 -1.96 -2.47 112.91 118.84 1wsf h THR 149 Ca 0.08 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1wsf h THR 149 Cb 1.03 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1wsf h THR 149 CO 1.19 0.12 0.00 0.61 0.37 0.00 0.00 175.52 177.82 1wsf n GLY 150 N -1.44 0.48 3.73 2.16 0.00 -1.26 -4.92 105.19 103.94 1wsf n GLY 150 Ca 0.17 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.65 3.72 -0.20 1.61 6.14 -0.93 -5.00 117.35 121.04 1wsf s TYR 151 Ca 0.27 1.56 -0.09 0.00 0.64 0.00 0.00 57.07 59.46 1wsf s TYR 151 Cb 0.15 -2.93 -0.05 0.00 0.42 0.00 0.00 41.96 39.55 1wsf s TYR 151 CO 0.21 0.17 0.10 -0.65 0.64 0.00 0.00 175.55 176.02 1wsf s GLN 152 N 0.29 4.08 -0.34 4.97 -1.52 -1.26 -5.08 119.66 120.79 1wsf s GLN 152 Ca 0.43 -0.28 -0.25 0.00 -1.95 0.00 0.00 55.36 53.31 1wsf s GLN 152 Cb -0.21 -3.34 0.01 0.00 -0.22 0.00 0.00 33.01 29.25 1wsf s GLN 152 CO 0.25 0.25 0.86 0.08 -0.25 0.00 0.00 175.29 176.48 1wsf s VAL 153 N 0.47 4.68 0.00 1.09 1.01 -1.26 -4.55 120.40 121.83 1wsf s VAL 153 Ca 0.06 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1wsf s VAL 153 Cb -0.12 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1wsf s VAL 153 CO -0.00 -0.42 0.00 1.21 0.00 0.00 0.00 175.10 175.88 1wsf n GLU 154 N 6.53 0.00 0.00 2.72 4.07 -1.26 -5.23 120.64 127.46 1wsf n GLU 154 Ca 0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 1wsf n GLU 154 Cb 0.48 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.86 1wsf n GLU 154 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62