#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsg s LEU 2 N 0.00 4.11 0.35 -0.89 1.02 -1.26 -5.00 118.68 117.00 1wsg s LEU 2 Ca 0.00 2.40 -0.27 0.00 0.02 0.00 0.00 54.13 56.28 1wsg s LEU 2 Cb 0.00 -4.10 -0.09 0.00 0.02 0.00 0.00 46.19 42.02 1wsg s LEU 2 CO 0.00 -0.85 1.13 -1.59 0.02 0.00 0.00 176.35 175.07 1wsg s LYS 3 N -2.48 4.30 -0.03 1.70 -2.85 -1.26 -4.67 119.74 114.45 1wsg s LYS 3 Ca 0.60 1.80 -0.17 0.00 -1.00 0.00 0.00 55.97 57.20 1wsg s LYS 3 Cb -0.32 -2.86 -0.05 0.00 -2.06 0.00 0.00 37.83 32.55 1wsg s LYS 3 CO 0.39 -0.10 0.47 -1.14 0.10 0.00 0.00 175.35 175.08 1wsg s GLN 4 N -2.01 4.15 0.02 1.78 2.00 -1.26 -1.28 119.66 123.06 1wsg s GLN 4 Ca 0.52 0.50 -0.01 0.00 -2.00 0.00 0.00 55.36 54.37 1wsg s GLN 4 Cb -0.30 -3.31 -0.02 0.00 0.80 0.00 0.00 33.01 30.18 1wsg s GLN 4 CO 0.38 0.47 -0.01 0.08 -0.50 0.00 0.00 175.29 175.72 1wsg s VAL 5 N -0.41 0.11 -0.11 1.34 1.01 -0.72 -4.77 120.40 116.84 1wsg s VAL 5 Ca 0.26 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1wsg s VAL 5 Cb -0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1wsg s VAL 5 CO 0.13 -0.48 -0.19 -1.61 0.00 0.00 0.00 175.10 172.95 1wsg s GLU 6 N -1.45 3.14 -0.07 2.72 2.02 0.02 -2.02 118.70 123.07 1wsg s GLU 6 Ca -0.16 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.07 1wsg s GLU 6 Cb -0.10 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.70 1wsg s GLU 6 CO -0.01 0.23 -0.14 0.42 0.02 0.00 0.00 175.26 175.78 1wsg s ILE 7 N 0.27 1.25 -0.07 -1.63 1.01 -0.11 -0.26 121.20 121.66 1wsg s ILE 7 Ca -0.13 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1wsg s ILE 7 Cb -0.17 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 1wsg s ILE 7 CO 0.07 0.38 -0.19 -0.36 0.00 0.00 0.00 174.94 174.84 1wsg s PHE 8 N 0.58 2.61 0.05 3.97 0.08 -0.12 0.32 117.98 125.46 1wsg s PHE 8 Ca -0.14 -0.55 -0.00 0.00 0.12 0.00 0.00 56.93 56.36 1wsg s PHE 8 Cb -0.16 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1wsg s PHE 8 CO 0.04 -0.10 -0.04 0.95 -0.10 0.00 0.00 175.22 175.97 1wsg s THR 9 N -0.19 0.28 -0.27 0.64 -4.23 -0.17 -0.46 115.64 111.23 1wsg s THR 9 Ca -0.01 -1.50 -0.25 0.00 -1.18 0.00 0.00 61.69 58.75 1wsg s THR 9 Cb -0.13 -1.09 0.08 0.00 1.34 0.00 0.00 72.50 72.69 1wsg s THR 9 CO 0.03 -0.78 0.76 -0.62 -0.54 0.00 0.00 174.62 173.47 1wsg s ASP 10 N -2.39 -0.72 -0.05 3.99 2.15 -0.09 -4.41 116.67 115.16 1wsg s ASP 10 Ca -0.01 1.38 0.05 0.00 0.43 0.00 0.00 52.55 54.40 1wsg s ASP 10 Cb 0.01 1.39 -0.02 0.00 -0.30 0.00 0.00 42.92 44.00 1wsg s ASP 10 CO -0.06 -0.24 -0.20 -0.83 -0.17 0.00 0.00 175.17 173.68 1wsg s GLY 11 N 0.40 1.41 0.03 2.66 0.00 -1.26 -1.12 107.32 109.43 1wsg s GLY 11 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.72 1wsg s GLY 11 CO -0.00 -0.75 -0.08 -0.45 0.00 0.00 0.00 173.10 171.82 1wsg s SER 12 N -0.51 0.86 -0.13 1.64 0.15 -0.15 -4.70 113.70 110.87 1wsg s SER 12 Ca 0.07 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.21 1wsg s SER 12 Cb -0.11 -0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1wsg s SER 12 CO 0.01 -0.09 0.35 0.00 1.20 0.00 0.00 173.24 174.71 1wsg n LEU 14 N 2.95 1.89 0.00 0.00 4.77 0.08 -4.93 117.00 121.76 1wsg n LEU 14 Ca -0.14 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1wsg n LEU 14 Cb 0.57 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1wsg n LEU 14 CO 0.15 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1wsg n GLY 15 N 1.20 1.88 2.56 -0.72 0.00 -1.26 -4.88 105.19 103.97 1wsg n GLY 15 Ca 0.17 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1wsg n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wsg n ASN 16 N -0.91 -1.91 -4.49 1.61 5.15 -1.26 -3.94 115.26 109.50 1wsg n ASN 16 Ca 0.00 -2.76 -0.29 0.00 -0.60 0.00 0.00 54.58 50.93 1wsg n ASN 16 Cb 0.00 0.68 0.14 0.00 -0.53 0.00 0.00 39.78 40.07 1wsg n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1wsg s PRO 17 N 0.30 1.29 0.00 1.20 0.04 -1.26 -5.05 135.00 131.52 1wsg s PRO 17 Ca 0.32 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1wsg s PRO 17 Cb 0.07 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1wsg s PRO 17 CO -0.14 -1.96 0.00 0.41 0.04 0.00 0.00 177.00 175.35 1wsg n GLY 18 N -3.47 -0.10 3.57 0.56 0.00 -0.69 -4.90 105.19 100.16 1wsg n GLY 18 Ca 0.12 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1wsg n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wsg n PRO 19 N -0.24 1.15 -3.82 1.61 -0.02 -1.11 -1.84 135.00 130.73 1wsg n PRO 19 Ca 0.00 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 61.84 1wsg n PRO 19 Cb 0.00 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1wsg n PRO 19 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wsg s GLY 20 N -0.78 -0.08 0.23 -1.23 0.00 -0.06 -0.74 107.32 104.66 1wsg s GLY 20 Ca 0.63 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.92 1wsg s GLY 20 CO 0.57 0.06 0.80 -0.32 0.00 0.00 0.00 173.10 174.22 1wsg s GLY 21 N -2.97 -0.16 0.18 0.20 0.00 0.03 0.70 107.32 105.31 1wsg s GLY 21 Ca 0.13 -0.12 0.10 0.00 0.00 0.00 0.00 44.72 44.83 1wsg s GLY 21 CO 0.06 -0.04 -0.22 -2.52 0.00 0.00 0.00 173.10 170.38 1wsg s TYR 22 N -3.68 2.11 -0.02 1.90 -0.85 -1.07 -0.97 117.35 114.76 1wsg s TYR 22 Ca 0.11 -0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 56.25 1wsg s TYR 22 Cb -0.04 -1.04 0.02 0.00 0.38 0.00 0.00 41.96 41.27 1wsg s TYR 22 CO 0.05 0.44 0.04 0.20 -1.52 0.00 0.00 175.55 174.75 1wsg s GLY 23 N -2.68 0.03 -0.05 5.49 0.00 -0.28 -3.18 107.32 106.64 1wsg s GLY 23 Ca 0.19 0.23 -0.14 0.00 0.00 0.00 0.00 44.72 45.00 1wsg s GLY 23 CO 0.09 0.42 0.33 0.00 0.00 0.00 0.00 173.10 173.93 1wsg s ALA 24 N 0.56 -0.82 -0.11 3.20 0.00 -0.17 -0.91 121.76 123.52 1wsg s ALA 24 Ca -0.05 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1wsg s ALA 24 Cb -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1wsg s ALA 24 CO -0.02 -0.23 -0.16 0.42 0.00 0.00 0.00 175.76 175.78 1wsg s ILE 25 N -0.80 1.55 -0.24 0.00 1.01 0.39 -0.83 121.20 122.27 1wsg s ILE 25 Ca -0.09 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1wsg s ILE 25 Cb -0.04 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1wsg s ILE 25 CO 0.03 0.45 0.03 -0.22 0.00 0.00 0.00 174.94 175.23 1wsg s LEU 26 N 0.97 3.28 -0.20 2.97 2.96 0.08 -0.94 118.68 127.79 1wsg s LEU 26 Ca -0.07 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1wsg s LEU 26 Cb -0.15 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.72 1wsg s LEU 26 CO -0.02 -0.04 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.26 1wsg s ARG 27 N 1.57 2.19 0.00 1.98 3.52 0.64 -0.94 118.95 127.91 1wsg s ARG 27 Ca 0.06 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 1wsg s ARG 27 Cb -0.15 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 1wsg s ARG 27 CO 0.01 -0.41 0.00 0.98 -0.81 0.00 0.00 175.30 175.07 1wsg n TYR 28 N 4.64 0.00 -3.05 5.12 -0.00 -1.07 -0.80 117.16 122.01 1wsg n TYR 28 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.44 1wsg n TYR 28 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.77 1wsg n TYR 28 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1wsg n ARG 29 N 0.00 3.47 0.00 2.98 0.63 -1.26 -4.75 116.66 117.72 1wsg n ARG 29 Ca 0.00 -4.76 0.00 0.00 -0.92 0.00 0.00 57.85 52.17 1wsg n ARG 29 Cb 0.00 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 30.61 1wsg n ARG 29 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wsg n GLY 30 N 0.24 2.03 3.59 5.14 0.00 -1.26 -4.98 105.19 109.95 1wsg n GLY 30 Ca 0.33 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1wsg n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wsg n ARG 31 N 0.00 1.16 -4.27 1.61 5.12 -1.26 -4.99 116.66 114.02 1wsg n ARG 31 Ca 0.00 0.42 -0.18 0.00 -1.93 0.00 0.00 57.85 56.16 1wsg n ARG 31 Cb 0.00 -2.01 -0.13 0.00 -1.16 0.00 0.00 32.46 29.16 1wsg n ARG 31 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1wsg s GLU 32 N -2.13 0.76 -0.04 5.56 2.12 -1.26 -2.59 118.70 121.12 1wsg s GLU 32 Ca 0.66 -0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.38 1wsg s GLU 32 Cb -0.52 -0.71 0.01 0.00 0.26 0.00 0.00 34.13 33.16 1wsg s GLU 32 CO 0.55 0.17 -0.10 0.15 -0.54 0.00 0.00 175.26 175.49 1wsg s LYS 33 N -0.98 1.15 -0.03 4.30 1.02 -0.11 -4.99 119.74 120.09 1wsg s LYS 33 Ca -0.01 -0.33 0.04 0.00 0.02 0.00 0.00 55.97 55.69 1wsg s LYS 33 Cb -0.07 -1.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.17 1wsg s LYS 33 CO 0.01 0.09 -0.13 0.99 -0.92 0.00 0.00 175.35 175.39 1wsg s THR 34 N 0.33 3.18 0.00 2.17 2.01 -1.26 -0.74 115.64 121.33 1wsg s THR 34 Ca -0.06 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.20 1wsg s THR 34 Cb -0.11 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1wsg s THR 34 CO 0.01 0.52 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.96 1wsg s PHE 35 N -0.82 1.20 -0.25 4.92 0.08 -0.01 -4.99 117.98 118.11 1wsg s PHE 35 Ca 0.13 -0.25 -0.29 0.00 0.12 0.00 0.00 56.93 56.63 1wsg s PHE 35 Cb -0.11 -0.76 0.17 0.00 -0.57 0.00 0.00 43.02 41.75 1wsg s PHE 35 CO 0.03 -0.01 1.24 -1.54 -0.10 0.00 0.00 175.22 174.84 1wsg s SER 36 N -0.50 -0.15 -0.10 1.36 1.04 -1.26 -1.00 113.70 113.09 1wsg s SER 36 Ca 0.04 0.17 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 1wsg s SER 36 Cb -0.06 0.13 0.09 0.00 0.10 0.00 0.00 66.02 66.29 1wsg s SER 36 CO -0.00 -0.14 0.81 0.00 0.98 0.00 0.00 173.24 174.90 1wsg s ALA 37 N -0.99 -1.84 0.03 5.32 0.00 -1.19 -5.00 121.76 118.09 1wsg s ALA 37 Ca 0.05 1.44 0.05 0.00 0.00 0.00 0.00 51.96 53.51 1wsg s ALA 37 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1wsg s ALA 37 CO -0.05 -0.34 -0.11 0.20 0.00 0.00 0.00 175.76 175.46 1wsg s GLY 38 N -1.12 1.70 -0.02 0.00 0.00 -1.26 -2.61 107.32 104.02 1wsg s GLY 38 Ca -0.07 -1.11 0.07 0.00 0.00 0.00 0.00 44.72 43.61 1wsg s GLY 38 CO 0.06 -1.00 -0.22 -0.19 0.00 0.00 0.00 173.10 171.75 1wsg s TYR 39 N -1.01 1.99 0.29 1.90 1.51 0.22 -1.51 117.35 120.73 1wsg s TYR 39 Ca 0.17 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1wsg s TYR 39 Cb -0.11 -1.28 0.43 0.00 -0.11 0.00 0.00 41.96 40.90 1wsg s TYR 39 CO 0.08 -0.03 1.78 1.79 -1.11 0.00 0.00 175.55 178.06 1wsg h THR 40 N 4.59 1.23 -2.25 -0.71 1.35 -1.58 -0.12 112.91 115.42 1wsg h THR 40 Ca -0.40 -1.01 -0.26 0.00 -0.55 0.00 0.00 66.41 64.19 1wsg h THR 40 Cb 1.13 1.03 -0.33 0.00 -1.73 0.00 0.00 68.15 68.25 1wsg h THR 40 CO 0.48 0.34 -0.58 -0.60 -0.25 0.00 0.00 175.52 174.91 1wsg s ARG 41 N -4.84 0.26 0.00 4.72 3.52 -1.26 -2.75 118.95 118.61 1wsg s ARG 41 Ca -0.08 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1wsg s ARG 41 Cb 0.15 -0.89 0.00 0.00 -1.56 0.00 0.00 34.95 32.65 1wsg s ARG 41 CO 0.79 -0.70 0.00 -2.37 -0.81 0.00 0.00 175.30 172.21 1wsg n THR 42 N 5.33 0.00 -4.26 4.11 5.66 -0.77 -4.30 114.28 120.06 1wsg n THR 42 Ca -0.04 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.79 1wsg n THR 42 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1wsg n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1wsg s THR 43 N -2.53 1.31 0.23 1.09 -4.23 -1.26 -1.70 115.64 108.55 1wsg s THR 43 Ca 0.00 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1wsg s THR 43 Cb 0.00 -1.74 0.21 0.00 1.34 0.00 0.00 72.50 72.31 1wsg s THR 43 CO 0.00 -0.59 1.90 -1.13 -0.54 0.00 0.00 174.62 174.26 1wsg h ASN 44 N 3.05 1.01 -0.54 3.99 -1.24 -1.87 -1.86 115.58 118.12 1wsg h ASN 44 Ca -0.38 -0.02 0.06 0.00 0.71 0.00 0.00 56.30 56.67 1wsg h ASN 44 Cb 1.20 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.94 1wsg h ASN 44 CO 0.58 0.73 0.24 0.78 -1.29 0.00 0.00 177.43 178.47 1wsg h ASN 45 N 1.19 0.31 -0.31 1.15 -0.26 -1.96 -0.78 115.58 114.92 1wsg h ASN 45 Ca 0.33 0.05 -0.12 0.00 -0.56 0.00 0.00 56.30 56.00 1wsg h ASN 45 Cb -0.12 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 1wsg h ASN 45 CO -0.08 0.21 -0.22 0.03 -1.06 0.00 0.00 177.43 176.32 1wsg h ARG 46 N 0.47 0.79 -0.26 0.81 3.08 -1.87 -2.44 114.38 114.96 1wsg h ARG 46 Ca 0.25 -0.32 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1wsg h ARG 46 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1wsg h ARG 46 CO -0.21 0.94 -0.34 0.52 -1.07 0.00 0.00 179.97 179.81 1wsg h MET 47 N 0.69 0.56 -0.52 0.04 2.86 -0.93 -0.22 114.93 117.41 1wsg h MET 47 Ca 0.10 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1wsg h MET 47 Cb 0.73 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1wsg h MET 47 CO 0.06 0.82 0.15 0.00 1.06 0.00 0.00 176.91 179.00 1wsg h ALA 48 N 1.16 0.69 0.10 6.32 0.00 -0.98 -1.80 119.26 124.74 1wsg h ALA 48 Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wsg h ALA 48 Cb 0.82 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wsg h ALA 48 CO 0.07 0.36 -0.05 -0.07 0.00 0.00 0.00 179.25 179.56 1wsg h LEU 49 N 0.72 -0.11 -0.93 0.00 3.38 -1.26 -3.21 115.31 113.90 1wsg h LEU 49 Ca 0.17 -0.25 0.18 0.00 0.09 0.00 0.00 57.88 58.06 1wsg h LEU 49 Cb 0.30 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 1wsg h LEU 49 CO -0.00 0.20 0.52 -0.03 0.09 0.00 0.00 178.44 179.22 1wsg h MET 50 N -0.43 0.66 -0.45 1.13 4.05 -0.93 -0.42 114.93 118.55 1wsg h MET 50 Ca -0.01 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1wsg h MET 50 Cb 0.36 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 1wsg h MET 50 CO 0.02 0.44 0.24 0.00 0.23 0.00 0.00 176.91 177.83 1wsg h ALA 51 N 1.62 0.57 -0.20 0.39 0.00 -1.33 -0.56 119.26 119.75 1wsg h ALA 51 Ca 0.53 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.25 1wsg h ALA 51 Cb 0.81 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1wsg h ALA 51 CO -0.39 -0.11 -0.69 0.00 0.00 0.00 0.00 179.25 178.07 1wsg h ALA 52 N 1.23 0.39 0.15 0.00 0.00 -1.34 -2.84 119.26 116.85 1wsg h ALA 52 Ca 0.19 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.54 1wsg h ALA 52 Cb 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1wsg h ALA 52 CO -0.12 0.69 -0.19 0.82 0.00 0.00 0.00 179.25 180.44 1wsg h ILE 53 N 0.58 0.57 -0.19 0.00 2.04 -0.80 -0.87 117.51 118.84 1wsg h ILE 53 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1wsg h ILE 53 Cb 1.31 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1wsg h ILE 53 CO 0.14 0.00 0.12 0.58 0.00 0.00 0.00 178.15 178.99 1wsg h VAL 54 N -0.39 1.07 -0.89 1.67 2.07 -1.16 0.93 116.25 119.55 1wsg h VAL 54 Ca 0.01 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1wsg h VAL 54 Cb 0.39 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1wsg h VAL 54 CO -0.08 0.07 0.46 0.00 0.02 0.00 0.00 177.57 178.04 1wsg h ALA 55 N 1.04 1.14 -0.34 1.67 0.00 -1.44 -2.25 119.26 119.09 1wsg h ALA 55 Ca 0.07 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1wsg h ALA 55 Cb 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1wsg h ALA 55 CO -0.01 0.67 -0.33 -0.07 0.00 0.00 0.00 179.25 179.50 1wsg h LEU 56 N 1.25 0.89 -0.86 0.00 3.38 -0.84 -2.96 115.31 116.17 1wsg h LEU 56 Ca 0.31 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wsg h LEU 56 Cb 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1wsg h LEU 56 CO -0.04 1.17 0.00 -0.62 0.09 0.00 0.00 178.44 179.04 1wsg n GLU 57 N -4.16 0.19 0.09 1.13 1.02 0.30 -2.00 120.64 117.21 1wsg n GLU 57 Ca -0.03 0.47 0.13 0.00 -0.02 0.00 0.00 57.16 57.71 1wsg n GLU 57 Cb 0.51 -1.90 0.45 0.00 -0.02 0.00 0.00 31.44 30.48 1wsg n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wsg n ALA 58 N -1.79 2.20 -2.00 0.62 0.00 -0.87 -4.79 120.51 113.89 1wsg n ALA 58 Ca 0.01 -0.03 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 1wsg n ALA 58 Cb 0.20 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 1wsg n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wsg s LEU 59 N -4.19 4.46 0.00 0.00 1.43 -0.84 -4.93 118.68 114.60 1wsg s LEU 59 Ca 0.10 2.27 0.20 0.00 -1.03 0.00 0.00 54.13 55.68 1wsg s LEU 59 Cb 0.13 -3.61 0.39 0.00 0.03 0.00 0.00 46.19 43.13 1wsg s LEU 59 CO 0.55 -0.36 1.33 0.29 0.23 0.00 0.00 176.35 178.39 1wsg n LYS 60 N 2.26 2.36 -3.75 1.70 4.76 -1.26 -4.99 118.16 119.25 1wsg n LYS 60 Ca 0.04 -2.17 -0.10 0.00 -2.87 0.00 0.00 58.31 53.21 1wsg n LYS 60 Cb 0.44 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.14 1wsg n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1wsg s GLU 61 N -1.31 1.31 0.02 1.97 -1.05 -1.26 -5.12 118.70 113.26 1wsg s GLU 61 Ca 0.34 -0.88 -0.30 0.00 -0.15 0.00 0.00 54.97 53.98 1wsg s GLU 61 Cb 0.20 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 34.31 1wsg s GLU 61 CO 0.28 -0.54 1.69 -1.01 0.95 0.00 0.00 175.26 176.62 1wsg s HIS 62 N -3.87 2.12 0.26 4.83 3.76 -1.26 -4.97 115.29 116.15 1wsg s HIS 62 Ca 0.09 0.18 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 1wsg s HIS 62 Cb -0.00 -3.98 -0.05 0.00 1.11 0.00 0.00 32.58 29.65 1wsg s HIS 62 CO -0.04 -4.07 -0.04 0.00 -0.85 0.00 0.00 174.74 169.74 1wsg s GLU 64 N -3.77 3.45 -0.10 0.00 2.12 -0.40 -0.64 118.70 119.36 1wsg s GLU 64 Ca 0.29 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.96 1wsg s GLU 64 Cb 0.04 -3.79 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 1wsg s GLU 64 CO 0.10 -0.46 -0.15 0.08 -0.54 0.00 0.00 175.26 174.29 1wsg s VAL 65 N 1.71 2.90 -0.45 3.70 1.01 0.73 -1.76 120.40 128.24 1wsg s VAL 65 Ca 0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 1wsg s VAL 65 Cb -0.17 -2.17 0.09 0.00 0.00 0.00 0.00 36.38 34.12 1wsg s VAL 65 CO 0.10 0.55 0.33 -0.51 0.00 0.00 0.00 175.10 175.57 1wsg s ILE 66 N -0.05 4.58 -0.33 2.22 2.07 -0.85 0.11 121.20 128.94 1wsg s ILE 66 Ca -0.04 -1.39 -0.16 0.00 -1.41 0.00 0.00 60.65 57.66 1wsg s ILE 66 Cb -0.14 -3.83 -0.02 0.00 0.13 0.00 0.00 42.46 38.60 1wsg s ILE 66 CO 0.04 -0.60 0.39 -0.22 -1.91 0.00 0.00 174.94 172.63 1wsg s LEU 67 N 1.49 4.34 -0.14 8.50 0.20 -0.33 -0.93 118.68 131.80 1wsg s LEU 67 Ca 0.04 -0.09 -0.03 0.00 0.69 0.00 0.00 54.13 54.73 1wsg s LEU 67 Cb -0.25 -2.39 -0.03 0.00 -0.43 0.00 0.00 46.19 43.09 1wsg s LEU 67 CO 0.03 -0.33 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.19 1wsg s SER 68 N 1.72 4.94 -0.10 3.68 0.15 0.15 0.10 113.70 124.34 1wsg s SER 68 Ca 0.13 -0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.47 1wsg s SER 68 Cb -0.16 -1.68 0.06 0.00 -1.71 0.00 0.00 66.02 62.53 1wsg s SER 68 CO 0.12 0.23 0.62 0.28 1.20 0.00 0.00 173.24 175.69 1wsg s THR 69 N 0.01 0.01 -2.52 6.45 -1.32 -0.86 -1.00 115.64 116.39 1wsg s THR 69 Ca 0.01 -0.06 0.24 0.00 -1.21 0.00 0.00 61.69 60.67 1wsg s THR 69 Cb -0.13 -0.92 0.14 0.00 -1.51 0.00 0.00 72.50 70.07 1wsg s THR 69 CO 0.02 -0.03 1.24 -0.90 -2.21 0.00 0.00 174.62 172.73 1wsg n ASP 70 N 1.46 2.43 -4.65 8.08 5.75 -1.26 -1.69 116.55 126.66 1wsg n ASP 70 Ca -0.18 -1.72 -0.42 0.00 -0.01 0.00 0.00 54.79 52.45 1wsg n ASP 70 Cb 0.56 0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.83 1wsg n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1wsg s SER 71 N -2.22 6.52 0.14 -1.12 0.15 -1.26 -4.89 113.70 111.03 1wsg s SER 71 Ca 0.25 2.20 -0.11 0.00 0.70 0.00 0.00 55.95 58.99 1wsg s SER 71 Cb 0.19 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1wsg s SER 71 CO 0.42 -1.05 1.47 1.56 1.20 0.00 0.00 173.24 176.84 1wsg h GLN 72 N 10.18 0.94 -0.32 5.44 7.50 -1.95 -1.83 115.11 135.07 1wsg h GLN 72 Ca -0.40 -0.51 0.02 0.00 0.50 0.00 0.00 58.65 58.26 1wsg h GLN 72 Cb 1.19 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.72 1wsg h GLN 72 CO 0.96 1.16 0.18 -0.92 -1.50 0.00 0.00 178.83 178.71 1wsg h TYR 73 N 0.76 0.33 -0.37 2.96 3.20 -1.98 0.83 116.97 122.71 1wsg h TYR 73 Ca 0.06 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1wsg h TYR 73 Cb 1.00 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1wsg h TYR 73 CO 0.06 0.19 -0.09 0.28 -1.64 0.00 0.00 178.16 176.97 1wsg h VAL 74 N 0.37 1.28 0.35 1.81 2.07 -1.91 -1.69 116.25 118.53 1wsg h VAL 74 Ca 0.13 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1wsg h VAL 74 Cb 0.01 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1wsg h VAL 74 CO -0.07 0.38 -0.29 -0.09 0.02 0.00 0.00 177.57 177.53 1wsg h ARG 75 N 0.50 -0.62 -0.89 1.57 2.43 -1.05 -0.42 114.38 115.91 1wsg h ARG 75 Ca 0.09 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1wsg h ARG 75 Cb 0.60 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 1wsg h ARG 75 CO 0.04 -0.41 0.59 1.96 -1.51 0.00 0.00 179.97 180.63 1wsg h GLN 76 N -0.65 1.13 -0.48 0.20 4.20 -0.85 0.24 115.11 118.90 1wsg h GLN 76 Ca -0.03 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1wsg h GLN 76 Cb 0.57 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1wsg h GLN 76 CO -0.02 0.75 -0.22 0.78 -0.67 0.00 0.00 178.83 179.45 1wsg h GLY 77 N 1.16 1.07 0.70 3.46 0.00 -1.01 -0.87 103.07 107.58 1wsg h GLY 77 Ca 0.34 -0.96 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 1wsg h GLY 77 CO -0.09 0.87 -0.40 -2.22 0.00 0.00 0.00 176.54 174.70 1wsg h ILE 78 N 0.85 1.43 0.00 2.60 1.08 -0.69 0.28 117.51 123.07 1wsg h ILE 78 Ca 0.11 -1.85 0.00 0.00 -0.39 0.00 0.00 64.86 62.73 1wsg h ILE 78 Cb 0.80 2.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.99 1wsg h ILE 78 CO 0.07 0.53 0.00 0.35 -0.69 0.00 0.00 178.15 178.41 1wsg n THR 79 N -4.36 0.02 0.00 -0.27 -2.24 0.79 -4.21 114.28 104.01 1wsg n THR 79 Ca -0.09 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1wsg n THR 79 Cb 0.55 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1wsg n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsg n GLN 80 N -1.24 0.43 0.00 -0.78 6.02 -0.34 -5.01 117.38 116.46 1wsg n GLN 80 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1wsg n GLN 80 Cb 0.22 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 30.74 1wsg n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1wsg n TRP 81 N -1.80 0.00 -0.26 1.08 8.01 -0.46 -4.77 117.44 119.25 1wsg n TRP 81 Ca 0.00 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.26 1wsg n TRP 81 Cb 0.24 0.00 0.20 0.00 -2.01 0.00 0.00 31.31 29.74 1wsg n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1wsg h ILE 82 N 0.00 0.53 0.25 -0.99 6.09 -0.67 0.59 117.51 123.31 1wsg h ILE 82 Ca 0.00 -0.11 -0.01 0.00 -1.37 0.00 0.00 64.86 63.37 1wsg h ILE 82 Cb 0.21 0.19 0.00 0.00 0.47 0.00 0.00 36.82 37.69 1wsg h ILE 82 CO 0.00 0.06 -0.12 -0.74 -3.07 0.00 0.00 178.15 174.28 1wsg h HIS 83 N 0.32 -0.31 -0.17 2.19 2.76 -1.86 -2.56 115.15 115.51 1wsg h HIS 83 Ca 0.43 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.63 1wsg h HIS 83 Cb 0.74 0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 1wsg h HIS 83 CO -0.23 -0.12 -0.04 -0.91 -1.30 0.00 0.00 177.93 175.33 1wsg h ASN 84 N -0.45 -0.16 -0.41 3.26 2.35 -1.69 -1.92 115.58 116.57 1wsg h ASN 84 Ca -0.03 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 1wsg h ASN 84 Cb 0.34 0.11 -0.09 0.00 0.05 0.00 0.00 38.32 38.73 1wsg h ASN 84 CO 0.06 -0.05 -0.21 -0.50 -1.65 0.00 0.00 177.43 175.08 1wsg h TRP 85 N 0.00 -0.52 0.15 1.19 6.55 -0.88 -1.03 115.95 121.41 1wsg h TRP 85 Ca 0.08 0.05 0.01 0.00 0.95 0.00 0.00 58.89 59.98 1wsg h TRP 85 Cb 0.13 0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.70 1wsg h TRP 85 CO -0.20 -0.29 -0.20 -0.22 -1.05 0.00 0.00 178.44 176.49 1wsg h LYS 86 N -0.13 -0.39 -0.69 0.49 3.64 -1.14 0.34 116.57 118.69 1wsg h LYS 86 Ca 0.20 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.80 1wsg h LYS 86 Cb 0.44 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1wsg h LYS 86 CO -0.49 -0.26 0.50 0.00 -2.27 0.00 0.00 179.45 176.93 1wsg h ALA 87 N 0.38 2.63 -0.65 5.00 0.00 -0.71 -0.69 119.26 125.22 1wsg h ALA 87 Ca 0.02 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1wsg h ALA 87 Cb 0.40 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.16 1wsg h ALA 87 CO -0.08 -0.83 0.16 0.54 0.00 0.00 0.00 179.25 179.04 1wsg n ARG 88 N -4.34 4.01 -2.39 0.00 1.74 -0.45 -4.93 116.66 110.30 1wsg n ARG 88 Ca 0.14 -3.11 -0.17 0.00 -0.77 0.00 0.00 57.85 53.94 1wsg n ARG 88 Cb 0.75 -2.21 -0.00 0.00 -1.02 0.00 0.00 32.46 29.99 1wsg n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wsg n GLY 89 N 0.04 -0.31 3.08 -0.13 0.00 -0.27 -3.01 105.19 104.59 1wsg n GLY 89 Ca 0.36 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1wsg n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wsg n TRP 90 N -4.05 -2.00 -4.43 1.61 7.02 0.11 -5.00 117.44 110.70 1wsg n TRP 90 Ca -0.18 0.54 -0.22 0.00 -1.02 0.00 0.00 57.50 56.62 1wsg n TRP 90 Cb 0.64 -4.41 -0.10 0.00 -2.42 0.00 0.00 31.31 25.03 1wsg n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wsg s LYS 91 N -5.76 1.58 0.97 -0.99 1.02 -1.16 -2.54 119.74 112.86 1wsg s LYS 91 Ca 0.33 -1.72 -0.16 0.00 0.02 0.00 0.00 55.97 54.43 1wsg s LYS 91 Cb -0.15 -1.58 0.23 0.00 -0.52 0.00 0.00 37.83 35.81 1wsg s LYS 91 CO 0.40 0.28 1.26 0.25 -0.92 0.00 0.00 175.35 176.62 1wsg n THR 92 N -0.55 0.00 -0.18 2.17 -2.24 0.28 -4.79 114.28 108.96 1wsg n THR 92 Ca -0.06 -0.89 -0.03 0.00 -2.27 0.00 0.00 64.05 60.80 1wsg n THR 92 Cb 0.60 -1.50 0.07 0.00 -2.10 0.00 0.00 70.33 67.41 1wsg n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wsg h ALA 93 N -1.90 0.71 -0.75 6.98 0.00 -1.99 -1.82 119.26 120.49 1wsg h ALA 93 Ca -0.41 0.04 -0.57 0.00 0.00 0.00 0.00 54.91 53.97 1wsg h ALA 93 Cb 1.15 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.68 1wsg h ALA 93 CO 0.29 -0.10 0.68 -0.40 0.00 0.00 0.00 179.25 179.72 1wsg n ASP 94 N -4.90 7.03 -3.59 0.00 3.85 -1.26 -4.91 116.55 112.76 1wsg n ASP 94 Ca 0.06 -3.47 -0.34 0.00 -0.71 0.00 0.00 54.79 50.33 1wsg n ASP 94 Cb 0.18 -1.09 0.03 0.00 -1.35 0.00 0.00 41.12 38.88 1wsg n ASP 94 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wsg n LYS 95 N -0.02 -1.81 -3.83 0.11 4.76 -0.68 -5.03 118.16 111.66 1wsg n LYS 95 Ca 0.49 1.22 -0.12 0.00 -2.87 0.00 0.00 58.31 57.03 1wsg n LYS 95 Cb 0.50 -2.20 -0.10 0.00 -1.84 0.00 0.00 35.03 31.39 1wsg n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1wsg s LYS 96 N -3.29 0.42 0.11 1.97 1.02 -1.26 -4.83 119.74 113.88 1wsg s LYS 96 Ca 0.26 -0.11 -0.34 0.00 0.02 0.00 0.00 55.97 55.80 1wsg s LYS 96 Cb -0.03 0.18 -0.14 0.00 -0.52 0.00 0.00 37.83 37.33 1wsg s LYS 96 CO 0.88 -0.09 1.63 -2.30 -0.92 0.00 0.00 175.35 174.55 1wsg n PRO 97 N 2.01 2.13 -1.67 -1.68 -0.02 -1.26 0.99 135.00 135.50 1wsg n PRO 97 Ca -0.19 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 1wsg n PRO 97 Cb 0.57 -2.55 0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1wsg n PRO 97 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wsg s VAL 98 N 1.48 2.84 0.37 -1.45 -7.23 -1.05 -4.76 120.40 110.60 1wsg s VAL 98 Ca 0.81 0.41 -0.27 0.00 -1.81 0.00 0.00 61.98 61.12 1wsg s VAL 98 Cb -0.69 -2.96 -0.11 0.00 0.56 0.00 0.00 36.38 33.18 1wsg s VAL 98 CO 0.41 -0.22 1.33 1.17 -0.31 0.00 0.00 175.10 177.48 1wsg n LYS 99 N -2.43 2.21 -3.34 4.82 4.81 -1.26 -1.94 118.16 121.03 1wsg n LYS 99 Ca 0.12 0.78 -0.23 0.00 -0.87 0.00 0.00 58.31 58.10 1wsg n LYS 99 Cb 0.51 -2.43 -0.00 0.00 0.02 0.00 0.00 35.03 33.13 1wsg n LYS 99 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1wsg n ASN 100 N 0.52 -3.90 -0.12 3.14 3.02 -1.26 -4.83 115.26 111.82 1wsg n ASN 100 Ca 0.04 -0.38 0.07 0.00 -0.03 0.00 0.00 54.58 54.29 1wsg n ASN 100 Cb 0.38 -3.22 0.41 0.00 -0.61 0.00 0.00 39.78 36.73 1wsg n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1wsg h VAL 101 N -1.00 1.00 -0.48 2.41 3.04 -1.75 -1.39 116.25 118.08 1wsg h VAL 101 Ca -0.44 -0.21 0.02 0.00 -1.01 0.00 0.00 66.70 65.06 1wsg h VAL 101 Cb 1.29 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.87 1wsg h VAL 101 CO 0.54 0.11 0.28 -2.24 -1.01 0.00 0.00 177.57 175.25 1wsg h ASP 102 N 0.62 0.45 0.24 3.17 2.03 -1.88 -1.01 116.42 120.04 1wsg h ASP 102 Ca 0.27 0.01 -0.24 0.00 -0.73 0.00 0.00 57.03 56.34 1wsg h ASP 102 Cb 0.27 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 38.69 1wsg h ASP 102 CO -0.08 0.32 -0.96 -0.07 -1.03 0.00 0.00 179.24 177.41 1wsg h LEU 103 N 0.56 0.64 -0.55 0.15 3.38 -1.77 -2.81 115.31 114.92 1wsg h LEU 103 Ca 0.20 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1wsg h LEU 103 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1wsg h LEU 103 CO -0.10 1.31 0.19 -0.50 0.09 0.00 0.00 178.44 179.44 1wsg h TRP 104 N 0.28 0.86 -0.48 1.13 4.06 -1.12 0.26 115.95 120.94 1wsg h TRP 104 Ca -0.09 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.76 1wsg h TRP 104 Cb 1.60 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 29.49 1wsg h TRP 104 CO 0.07 0.72 0.21 1.96 -3.56 0.00 0.00 178.44 177.84 1wsg h GLN 105 N 0.75 0.70 -0.59 0.49 4.20 -1.25 0.79 115.11 120.20 1wsg h GLN 105 Ca 0.18 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1wsg h GLN 105 Cb 0.24 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1wsg h GLN 105 CO -0.01 0.61 0.29 -0.09 -0.67 0.00 0.00 178.83 178.96 1wsg h ARG 106 N 0.63 0.85 -0.27 1.46 2.43 -1.23 -0.89 114.38 117.35 1wsg h ARG 106 Ca 0.16 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1wsg h ARG 106 Cb 0.16 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1wsg h ARG 106 CO -0.02 0.68 0.11 1.25 -1.51 0.00 0.00 179.97 180.48 1wsg h LEU 107 N 0.80 0.37 -1.21 3.80 5.85 -0.66 -1.80 115.31 122.47 1wsg h LEU 107 Ca 0.20 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.86 1wsg h LEU 107 Cb 0.10 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1wsg h LEU 107 CO -0.03 0.43 0.57 -0.78 -0.34 0.00 0.00 178.44 178.29 1wsg h ASP 108 N 0.29 0.79 -0.29 1.25 1.82 -0.50 0.26 116.42 120.03 1wsg h ASP 108 Ca 0.09 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 1wsg h ASP 108 Cb 0.17 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.03 1wsg h ASP 108 CO -0.01 0.47 -0.03 0.00 -1.61 0.00 0.00 179.24 178.06 1wsg h ALA 109 N 1.56 0.40 -0.54 -0.78 0.00 -0.84 -1.43 119.26 117.63 1wsg h ALA 109 Ca 0.41 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1wsg h ALA 109 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1wsg h ALA 109 CO -0.17 0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.18 1wsg h ALA 110 N 0.81 0.85 -0.56 0.00 0.00 -0.41 -3.03 119.26 116.93 1wsg h ALA 110 Ca 0.08 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1wsg h ALA 110 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1wsg h ALA 110 CO 0.02 0.65 0.14 -0.07 0.00 0.00 0.00 179.25 180.00 1wsg h LEU 111 N 0.88 0.84 -0.88 0.00 3.38 -0.46 -2.43 115.31 116.65 1wsg h LEU 111 Ca 0.15 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1wsg h LEU 111 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wsg h LEU 111 CO 0.04 0.85 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1wsg n GLY 112 N -0.63 -0.87 0.20 0.83 0.00 -0.55 -1.85 105.19 102.32 1wsg n GLY 112 Ca 0.02 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1wsg n GLY 112 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wsg h GLN 113 N 0.00 0.00 -5.06 1.61 1.08 -1.41 -3.47 115.11 107.86 1wsg h GLN 113 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1wsg h GLN 113 Cb 0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 27.38 1wsg h GLN 113 CO 0.00 0.15 -0.54 -1.01 -0.95 0.00 0.00 178.83 176.48 1wsg s HIS 114 N -3.17 1.80 -0.63 2.96 3.76 -0.77 -4.44 115.29 114.81 1wsg s HIS 114 Ca 0.06 -1.23 -0.18 0.00 -0.15 0.00 0.00 55.06 53.56 1wsg s HIS 114 Cb 0.06 -1.15 0.12 0.00 1.11 0.00 0.00 32.58 32.72 1wsg s HIS 114 CO 0.69 -0.26 0.69 -1.14 -0.85 0.00 0.00 174.74 173.87 1wsg s GLN 115 N -3.76 3.12 0.00 1.40 2.00 0.19 -4.97 119.66 117.64 1wsg s GLN 115 Ca 0.27 -1.56 -0.23 0.00 -2.00 0.00 0.00 55.36 51.84 1wsg s GLN 115 Cb 0.04 -4.33 -0.05 0.00 0.80 0.00 0.00 33.01 29.47 1wsg s GLN 115 CO 0.15 -1.48 0.69 0.42 -0.50 0.00 0.00 175.29 174.57 1wsg s ILE 116 N 2.16 4.86 -0.33 -2.34 -1.09 -1.26 -0.19 121.20 123.01 1wsg s ILE 116 Ca 0.11 1.45 0.02 0.00 -2.23 0.00 0.00 60.65 60.01 1wsg s ILE 116 Cb -0.23 -4.03 0.10 0.00 -1.58 0.00 0.00 42.46 36.72 1wsg s ILE 116 CO 0.03 0.36 0.07 -0.75 -1.23 0.00 0.00 174.94 173.42 1wsg s LYS 117 N 0.08 1.19 0.34 2.79 2.20 0.29 -4.93 119.74 121.71 1wsg s LYS 117 Ca 0.36 -1.58 -0.27 0.00 -0.36 0.00 0.00 55.97 54.11 1wsg s LYS 117 Cb -0.19 -2.74 -0.09 0.00 -1.51 0.00 0.00 37.83 33.29 1wsg s LYS 117 CO 0.20 -0.96 1.18 -1.58 -0.36 0.00 0.00 175.35 173.82 1wsg s TRP 118 N 1.16 3.23 -0.36 4.03 0.52 -1.26 -1.19 118.94 125.08 1wsg s TRP 118 Ca 0.11 1.57 0.01 0.00 0.02 0.00 0.00 56.10 57.81 1wsg s TRP 118 Cb -0.18 -3.42 0.11 0.00 -1.15 0.00 0.00 33.47 28.82 1wsg s TRP 118 CO -0.14 -1.18 0.12 -2.00 0.02 0.00 0.00 176.95 173.77 1wsg s GLU 119 N -1.91 1.10 -0.81 4.98 2.12 0.11 -4.87 118.70 119.43 1wsg s GLU 119 Ca 0.51 -1.57 -0.23 0.00 0.36 0.00 0.00 54.97 54.04 1wsg s GLU 119 Cb -0.33 -2.46 0.07 0.00 0.26 0.00 0.00 34.13 31.67 1wsg s GLU 119 CO 0.43 -1.02 1.18 -1.58 -0.54 0.00 0.00 175.26 173.73 1wsg s TRP 120 N 1.06 2.63 -0.03 5.30 0.52 -1.26 -2.03 118.94 125.13 1wsg s TRP 120 Ca 0.12 -0.66 -0.30 0.00 0.02 0.00 0.00 56.10 55.28 1wsg s TRP 120 Cb -0.20 -4.47 -0.04 0.00 -1.15 0.00 0.00 33.47 27.62 1wsg s TRP 120 CO -0.14 -1.79 1.23 0.14 0.02 0.00 0.00 176.95 176.41 1wsg s VAL 121 N 4.41 4.14 0.09 4.03 -7.23 -0.68 -4.90 120.40 120.26 1wsg s VAL 121 Ca 0.33 1.49 0.32 0.00 -1.81 0.00 0.00 61.98 62.31 1wsg s VAL 121 Cb -0.08 -3.96 0.34 0.00 0.56 0.00 0.00 36.38 33.24 1wsg s VAL 121 CO 0.03 0.02 1.97 0.11 -0.31 0.00 0.00 175.10 176.92 1wsg h LYS 122 N 7.40 0.00 0.00 4.82 1.57 -1.92 -3.38 116.57 125.06 1wsg h LYS 122 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1wsg h LYS 122 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1wsg h LYS 122 CO 0.87 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.16 1wsg n GLY 123 N -0.64 1.61 0.54 3.86 0.00 -1.26 -4.97 105.19 104.34 1wsg n GLY 123 Ca -0.01 -0.61 0.35 0.00 0.00 0.00 0.00 46.02 45.75 1wsg n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1wsg h HIS 124 N 0.00 0.00 0.00 1.61 3.86 -1.91 -3.39 115.15 115.32 1wsg h HIS 124 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1wsg h HIS 124 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1wsg h HIS 124 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1wsg n ALA 125 N -2.61 0.00 -2.40 2.45 0.00 -1.26 -0.42 120.51 116.27 1wsg n ALA 125 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 1wsg n ALA 125 Cb 1.35 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.81 1wsg n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wsg n GLY 126 N 0.00 5.81 2.71 0.00 0.00 -1.26 -4.87 105.19 107.58 1wsg n GLY 126 Ca 0.00 -2.66 -0.28 0.00 0.00 0.00 0.00 46.02 43.07 1wsg n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wsg s HIS 127 N -3.79 2.39 0.25 1.61 4.02 0.44 -5.00 115.29 115.21 1wsg s HIS 127 Ca 0.48 -2.77 -0.03 0.00 1.02 0.00 0.00 55.06 53.76 1wsg s HIS 127 Cb 0.37 -1.98 0.50 0.00 -1.02 0.00 0.00 32.58 30.45 1wsg s HIS 127 CO -0.25 -0.71 1.70 -1.35 1.02 0.00 0.00 174.74 175.16 1wsg h PRO 128 N 5.96 0.33 -0.20 8.40 0.11 -1.89 -1.44 132.00 143.26 1wsg h PRO 128 Ca 0.11 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.08 1wsg h PRO 128 Cb 0.86 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1wsg h PRO 128 CO 0.55 0.22 -0.42 0.93 -0.21 0.00 0.00 178.00 179.07 1wsg h GLU 129 N 0.34 0.48 -0.20 1.05 3.07 -1.96 -1.35 114.58 116.01 1wsg h GLU 129 Ca 0.44 -0.25 -0.19 0.00 -0.50 0.00 0.00 59.36 58.86 1wsg h GLU 129 Cb 0.74 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1wsg h GLU 129 CO -0.48 0.82 -0.62 -0.91 -1.40 0.00 0.00 179.01 176.41 1wsg h ASN 130 N 0.40 0.79 -0.65 1.42 4.21 -1.79 -1.60 115.58 118.37 1wsg h ASN 130 Ca 0.03 -0.46 -0.04 0.00 1.21 0.00 0.00 56.30 57.04 1wsg h ASN 130 Cb 0.90 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 1wsg h ASN 130 CO 0.08 1.22 0.25 -0.33 -1.29 0.00 0.00 177.43 177.36 1wsg h GLU 131 N 0.52 1.00 -0.60 0.81 5.08 -1.14 0.46 114.58 120.70 1wsg h GLU 131 Ca -0.01 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1wsg h GLU 131 Cb 1.21 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1wsg h GLU 131 CO 0.13 0.83 0.05 -0.09 -1.00 0.00 0.00 179.01 178.93 1wsg h ARG 132 N 0.98 1.01 -0.71 2.33 2.43 -1.08 -1.80 114.38 117.55 1wsg h ARG 132 Ca 0.23 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1wsg h ARG 132 Cb 0.21 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1wsg h ARG 132 CO -0.02 0.96 0.19 0.00 -1.51 0.00 0.00 179.97 179.59 1wsg h ASN 134 N 1.06 1.03 -0.42 0.00 -1.24 -0.34 -0.14 115.58 115.52 1wsg h ASN 134 Ca 0.22 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.12 1wsg h ASN 134 Cb 0.35 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1wsg h ASN 134 CO -0.00 0.70 -0.13 -0.33 -1.29 0.00 0.00 177.43 176.38 1wsg h GLU 135 N 1.20 0.83 -0.69 6.67 4.39 -0.80 0.36 114.58 126.54 1wsg h GLU 135 Ca 0.38 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1wsg h GLU 135 Cb 0.01 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1wsg h GLU 135 CO -0.12 0.96 0.27 -0.07 -1.16 0.00 0.00 179.01 178.89 1wsg h LEU 136 N 0.65 0.96 -0.32 1.33 3.38 -0.78 0.15 115.31 120.68 1wsg h LEU 136 Ca 0.10 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1wsg h LEU 136 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1wsg h LEU 136 CO 0.05 0.87 -0.10 0.00 0.09 0.00 0.00 178.44 179.35 1wsg h ALA 137 N 1.12 0.44 -0.41 1.53 0.00 -0.91 -2.41 119.26 118.63 1wsg h ALA 137 Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1wsg h ALA 137 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1wsg h ALA 137 CO -0.02 0.30 0.05 -0.09 0.00 0.00 0.00 179.25 179.50 1wsg h ARG 138 N 0.40 0.69 -0.86 0.00 2.43 -0.74 -0.85 114.38 115.45 1wsg h ARG 138 Ca 0.08 -0.19 0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1wsg h ARG 138 Cb 0.60 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 1wsg h ARG 138 CO 0.04 0.74 0.52 0.00 -1.51 0.00 0.00 179.97 179.76 1wsg h ALA 139 N 0.92 1.19 -0.38 2.80 0.00 -0.94 -0.97 119.26 121.88 1wsg h ALA 139 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1wsg h ALA 139 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wsg h ALA 139 CO 0.01 0.24 0.06 0.00 0.00 0.00 0.00 179.25 179.56 1wsg h ALA 140 N 1.42 0.50 -0.05 0.00 0.00 -1.15 -2.25 119.26 117.74 1wsg h ALA 140 Ca 0.38 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1wsg h ALA 140 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wsg h ALA 140 CO -0.19 0.21 0.04 0.00 0.00 0.00 0.00 179.25 179.31 1wsg h ALA 141 N 0.92 1.88 -0.00 0.00 0.00 -0.23 0.17 119.26 122.00 1wsg h ALA 141 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wsg h ALA 141 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wsg h ALA 141 CO 0.01 -0.07 -0.15 -1.33 0.00 0.00 0.00 179.25 177.71 1wsg n MET 142 N -4.28 0.72 -3.05 0.00 2.81 -0.46 -4.14 117.12 108.72 1wsg n MET 142 Ca -0.02 -0.29 -0.15 0.00 -1.81 0.00 0.00 57.70 55.42 1wsg n MET 142 Cb 0.14 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1wsg n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1wsg n ASN 143 N -0.89 0.44 -4.72 7.83 4.05 0.52 -5.08 115.26 117.41 1wsg n ASN 143 Ca 0.14 -3.04 -0.42 0.00 0.45 0.00 0.00 54.58 51.70 1wsg n ASN 143 Cb 0.30 -0.24 -0.03 0.00 1.23 0.00 0.00 39.78 41.03 1wsg n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wsg s PRO 144 N -2.12 4.25 0.00 1.20 0.04 -0.84 -4.54 135.00 132.99 1wsg s PRO 144 Ca 0.36 2.29 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1wsg s PRO 144 Cb 0.36 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1wsg s PRO 144 CO -0.06 -0.54 0.00 0.25 0.04 0.00 0.00 177.00 176.69 1wsg n THR 145 N 3.68 0.00 -4.53 1.26 -2.24 -0.85 -4.83 114.28 106.77 1wsg n THR 145 Ca 0.12 -0.38 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 1wsg n THR 145 Cb 0.40 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 1wsg n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wsg s LEU 146 N -1.58 2.65 -0.11 3.22 1.43 -0.57 -5.02 118.68 118.70 1wsg s LEU 146 Ca 0.00 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 51.80 1wsg s LEU 146 Cb 0.00 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 1wsg s LEU 146 CO 0.00 -0.38 -0.06 -0.70 0.23 0.00 0.00 176.35 175.44 1wsg s GLU 147 N -3.71 3.23 -1.27 1.70 2.12 -1.26 -1.60 118.70 117.90 1wsg s GLU 147 Ca 0.33 -0.55 -0.18 0.00 0.36 0.00 0.00 54.97 54.94 1wsg s GLU 147 Cb 0.06 -2.74 0.08 0.00 0.26 0.00 0.00 34.13 31.79 1wsg s GLU 147 CO 0.16 0.43 1.69 0.34 -0.54 0.00 0.00 175.26 177.34 1wsg s ASP 148 N -0.18 6.84 0.59 -1.70 3.68 -1.26 -4.77 116.67 119.87 1wsg s ASP 148 Ca 0.02 -2.45 0.28 0.00 2.13 0.00 0.00 52.55 52.54 1wsg s ASP 148 Cb -0.13 -2.56 1.60 0.00 -1.45 0.00 0.00 42.92 40.38 1wsg s ASP 148 CO 0.03 -1.15 2.05 0.71 0.13 0.00 0.00 175.17 176.94 1wsg h THR 149 N 5.55 0.47 -0.00 1.71 1.35 -1.95 -1.50 112.91 118.53 1wsg h THR 149 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1wsg h THR 149 Cb 0.88 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1wsg h THR 149 CO 1.44 0.00 -0.21 0.61 -0.25 0.00 0.00 175.52 177.10 1wsg n GLY 150 N -1.44 -1.13 3.65 5.82 0.00 -1.26 -4.84 105.19 105.99 1wsg n GLY 150 Ca 0.03 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1wsg n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wsg s TYR 151 N -2.75 3.18 -0.71 1.61 6.04 -0.57 -4.97 117.35 119.18 1wsg s TYR 151 Ca 0.20 1.26 -0.26 0.00 0.04 0.00 0.00 57.07 58.30 1wsg s TYR 151 Cb 0.19 -3.57 0.04 0.00 -1.04 0.00 0.00 41.96 37.58 1wsg s TYR 151 CO 0.56 -0.76 1.22 -0.65 -1.54 0.00 0.00 175.55 174.39 1wsg s GLN 152 N 3.54 3.21 -0.36 4.97 1.11 -1.26 -4.93 119.66 125.94 1wsg s GLN 152 Ca 0.46 -0.27 -0.35 0.00 0.01 0.00 0.00 55.36 55.21 1wsg s GLN 152 Cb -0.14 -4.17 -0.11 0.00 -1.01 0.00 0.00 33.01 27.58 1wsg s GLN 152 CO 0.13 -2.05 2.20 0.28 0.01 0.00 0.00 175.29 175.86 1wsg n VAL 153 N 6.34 0.18 0.81 1.09 0.31 -1.26 -4.77 118.33 121.04 1wsg n VAL 153 Ca 0.03 -0.26 0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1wsg n VAL 153 Cb 0.49 -1.64 0.29 0.00 -0.91 0.00 0.00 33.84 32.07 1wsg n VAL 153 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1wsg n GLU 154 N 8.21 2.05 -0.21 5.55 0.28 -1.26 -5.22 120.64 130.03 1wsg n GLU 154 Ca 0.42 -1.59 0.00 0.00 -0.16 0.00 0.00 57.16 55.83 1wsg n GLU 154 Cb 0.23 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.67 1wsg n GLU 154 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30