#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlk s LEU 2 N 0.00 4.27 0.71 3.17 1.43 0.03 -5.00 118.68 123.30 1wlk s LEU 2 Ca 0.00 2.72 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 1wlk s LEU 2 Cb 0.00 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.42 1wlk s LEU 2 CO 0.00 -0.79 1.07 -2.16 0.23 0.00 0.00 176.35 174.69 1wlk s PRO 3 N -2.13 2.77 0.32 1.29 0.04 -1.26 -4.95 135.00 131.09 1wlk s PRO 3 Ca 0.55 1.00 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1wlk s PRO 3 Cb -0.40 -1.97 0.61 0.00 0.04 0.00 0.00 34.50 32.79 1wlk s PRO 3 CO 0.52 -1.23 1.91 0.78 0.04 0.00 0.00 177.00 179.02 1wlk h GLY 4 N -0.82 1.24 1.98 0.56 0.00 -2.01 -0.96 103.07 103.07 1wlk h GLY 4 Ca -0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1wlk h GLY 4 CO 0.56 0.25 -0.04 -0.84 0.00 0.00 0.00 176.54 176.47 1wlk h THR 5 N 0.93 1.04 -0.40 4.70 2.02 -1.99 -1.15 112.91 118.06 1wlk h THR 5 Ca 0.38 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1wlk h THR 5 Cb 0.28 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1wlk h THR 5 CO -0.15 0.06 0.16 0.15 0.37 0.00 0.00 175.52 176.11 1wlk h PHE 6 N 0.03 0.60 0.00 3.16 3.04 -1.54 -2.01 116.94 120.22 1wlk h PHE 6 Ca 0.01 -0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.82 1wlk h PHE 6 Cb 0.09 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 1wlk h PHE 6 CO 0.00 0.53 -0.42 0.74 -2.02 0.00 0.00 178.31 177.14 1wlk h PHE 7 N 0.49 0.00 -0.83 0.41 0.04 -1.25 -2.51 116.94 113.30 1wlk h PHE 7 Ca 0.13 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 1wlk h PHE 7 Cb 0.18 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.30 1wlk h PHE 7 CO -0.00 0.42 0.37 0.93 -0.60 0.00 0.00 178.31 179.43 1wlk h GLU 8 N 0.00 1.21 -0.90 1.51 4.39 -0.67 -1.74 114.58 118.39 1wlk h GLU 8 Ca -0.00 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1wlk h GLU 8 Cb 0.76 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.16 1wlk h GLU 8 CO 0.05 0.95 0.50 0.28 -1.16 0.00 0.00 179.01 179.64 1wlk h VAL 9 N 1.19 1.26 0.00 3.13 2.07 -0.96 -1.94 116.25 120.99 1wlk h VAL 9 Ca 0.28 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1wlk h VAL 9 Cb 0.17 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1wlk h VAL 9 CO -0.03 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.03 1wlk n LEU 10 N -4.35 0.58 0.00 2.57 4.77 -0.69 -1.45 117.00 118.43 1wlk n LEU 10 Ca 0.09 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.88 1wlk n LEU 10 Cb 0.09 -0.63 0.65 0.00 -2.33 0.00 0.00 43.42 41.20 1wlk n LEU 10 CO 0.39 -0.63 0.94 0.29 -1.33 0.00 0.00 177.39 177.04 1wlk n LYS 11 N -2.17 0.30 -4.98 3.23 5.02 -0.73 -4.66 118.16 114.17 1wlk n LYS 11 Ca 0.01 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 1wlk n LYS 11 Cb 0.17 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.53 1wlk n LYS 11 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1wlk s ASN 12 N -2.66 2.75 0.52 4.39 0.01 -0.53 -5.10 114.94 114.32 1wlk s ASN 12 Ca 0.22 -0.48 -0.20 0.00 -0.71 0.00 0.00 52.86 51.69 1wlk s ASN 12 Cb 0.18 -0.28 -0.06 0.00 0.41 0.00 0.00 41.25 41.50 1wlk s ASN 12 CO 0.42 0.25 1.14 -0.70 -1.51 0.00 0.00 177.10 176.70 1wlk s GLU 13 N -0.83 3.48 -0.04 -0.60 2.56 -1.26 -4.58 118.70 117.43 1wlk s GLU 13 Ca 0.09 1.65 -0.30 0.00 0.00 0.00 0.00 54.97 56.42 1wlk s GLU 13 Cb -0.09 -2.12 0.11 0.00 2.00 0.00 0.00 34.13 34.03 1wlk s GLU 13 CO 0.00 -0.75 1.32 0.20 -0.56 0.00 0.00 175.26 175.47 1wlk s GLY 14 N -1.66 -0.27 -0.24 -1.50 0.00 -1.26 -4.92 107.32 97.47 1wlk s GLY 14 Ca 0.70 0.37 -0.10 0.00 0.00 0.00 0.00 44.72 45.69 1wlk s GLY 14 CO 0.29 3.46 0.15 0.14 0.00 0.00 0.00 173.10 177.13 1wlk s VAL 15 N -2.13 5.23 -0.10 1.40 1.01 -1.26 -0.91 120.40 123.65 1wlk s VAL 15 Ca 0.23 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1wlk s VAL 15 Cb 0.02 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1wlk s VAL 15 CO -0.03 0.35 0.23 -0.69 0.00 0.00 0.00 175.10 174.96 1wlk s VAL 16 N 1.09 5.34 -0.04 2.92 1.01 0.90 -4.66 120.40 126.97 1wlk s VAL 16 Ca 0.07 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1wlk s VAL 16 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1wlk s VAL 16 CO 0.05 0.57 -0.19 0.00 0.00 0.00 0.00 175.10 175.52 1wlk s ALA 17 N -0.75 2.45 -0.15 5.51 0.00 -0.70 -1.43 121.76 126.69 1wlk s ALA 17 Ca 0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1wlk s ALA 17 Cb -0.13 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.24 1wlk s ALA 17 CO 0.06 0.55 -0.03 0.42 0.00 0.00 0.00 175.76 176.76 1wlk s ILE 18 N -0.68 0.86 -0.09 0.00 1.01 0.96 -1.56 121.20 121.69 1wlk s ILE 18 Ca 0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 1wlk s ILE 18 Cb -0.10 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 1wlk s ILE 18 CO -0.00 0.10 0.11 0.00 0.00 0.00 0.00 174.94 175.15 1wlk s ALA 19 N 1.74 3.74 0.27 9.38 0.00 0.53 -1.64 121.76 135.78 1wlk s ALA 19 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1wlk s ALA 19 Cb -0.15 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 1wlk s ALA 19 CO -0.07 0.63 0.12 0.95 0.00 0.00 0.00 175.76 177.38 1wlk s THR 20 N -1.04 0.49 -0.34 0.00 -4.23 -0.74 -2.01 115.64 107.76 1wlk s THR 20 Ca 0.17 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.51 1wlk s THR 20 Cb -0.12 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 1wlk s THR 20 CO 0.06 0.00 0.43 -1.58 -0.54 0.00 0.00 174.62 172.99 1wlk s GLN 21 N -3.97 3.65 0.71 3.99 2.00 -1.26 -1.60 119.66 123.18 1wlk s GLN 21 Ca 0.37 -0.25 0.02 0.00 -2.00 0.00 0.00 55.36 53.50 1wlk s GLN 21 Cb 0.07 -3.79 0.14 0.00 0.80 0.00 0.00 33.01 30.23 1wlk s GLN 21 CO 0.15 -0.54 0.98 0.20 -0.50 0.00 0.00 175.29 175.58 1wlk s GLY 22 N 1.73 1.73 0.27 2.59 0.00 0.25 -4.72 107.32 109.17 1wlk s GLY 22 Ca 0.15 -1.96 0.23 0.00 0.00 0.00 0.00 44.72 43.15 1wlk s GLY 22 CO 0.12 -1.36 1.39 1.05 0.00 0.00 0.00 173.10 174.30 1wlk h GLU 23 N -0.44 0.00 -0.24 2.90 4.11 -1.97 -3.29 114.58 115.65 1wlk h GLU 23 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1wlk h GLU 23 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1wlk h GLU 23 CO 0.38 0.00 0.00 -3.47 0.07 0.00 0.00 179.01 175.99 1wlk n ASP 24 N -2.65 2.59 0.00 3.06 2.03 -1.26 -5.08 116.55 115.25 1wlk n ASP 24 Ca 0.03 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1wlk n ASP 24 Cb 0.50 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1wlk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wlk n GLY 25 N 0.44 0.90 3.85 0.27 0.00 -1.24 -5.12 105.19 104.29 1wlk n GLY 25 Ca 0.09 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1wlk n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wlk s PRO 26 N -2.00 3.19 0.12 1.61 0.04 -1.26 0.84 135.00 137.54 1wlk s PRO 26 Ca 0.00 0.81 0.08 0.00 0.04 0.00 0.00 61.00 61.92 1wlk s PRO 26 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1wlk s PRO 26 CO 0.00 -0.88 -0.18 -1.58 0.04 0.00 0.00 177.00 174.40 1wlk s HIS 27 N -3.14 1.66 -0.05 0.56 2.46 -0.63 -4.68 115.29 111.48 1wlk s HIS 27 Ca 0.57 -0.46 -0.02 0.00 0.47 0.00 0.00 55.06 55.61 1wlk s HIS 27 Cb -0.12 -0.88 0.04 0.00 -0.13 0.00 0.00 32.58 31.48 1wlk s HIS 27 CO 0.54 0.22 0.10 -1.17 -2.47 0.00 0.00 174.74 171.96 1wlk s LEU 28 N -2.24 0.59 0.32 8.88 2.96 -1.26 -1.80 118.68 126.13 1wlk s LEU 28 Ca 0.09 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 1wlk s LEU 28 Cb -0.08 0.15 -0.05 0.00 0.50 0.00 0.00 46.19 46.71 1wlk s LEU 28 CO 0.05 -0.18 0.09 0.68 -1.32 0.00 0.00 176.35 175.67 1wlk s VAL 29 N 1.50 0.87 0.33 1.68 -7.23 -0.65 -4.96 120.40 111.93 1wlk s VAL 29 Ca -0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1wlk s VAL 29 Cb -0.12 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1wlk s VAL 29 CO -0.05 0.00 0.12 0.20 -0.31 0.00 0.00 175.10 175.06 1wlk s ASN 30 N -3.45 2.05 0.28 4.85 -0.87 -1.26 -0.03 114.94 116.51 1wlk s ASN 30 Ca 0.35 -1.53 -0.07 0.00 -1.57 0.00 0.00 52.86 50.03 1wlk s ASN 30 Cb 0.07 0.29 0.03 0.00 -0.02 0.00 0.00 41.25 41.63 1wlk s ASN 30 CO 0.15 -0.82 0.50 1.07 -2.57 0.00 0.00 177.10 175.43 1wlk n THR 31 N -0.69 0.00 -4.26 1.60 5.66 -0.51 -4.96 114.28 111.12 1wlk n THR 31 Ca -0.02 -0.95 -0.30 0.00 -3.05 0.00 0.00 64.05 59.73 1wlk n THR 31 Cb 0.65 0.76 -0.09 0.00 -1.55 0.00 0.00 70.33 70.10 1wlk n THR 31 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wlk s TRP 32 N -3.81 2.84 0.24 1.09 0.52 -1.26 -0.07 118.94 118.49 1wlk s TRP 32 Ca 0.15 -0.09 -0.05 0.00 0.02 0.00 0.00 56.10 56.12 1wlk s TRP 32 Cb -0.03 -1.50 0.41 0.00 -1.15 0.00 0.00 33.47 31.20 1wlk s TRP 32 CO 0.11 0.43 1.75 -0.91 0.02 0.00 0.00 176.95 178.34 1wlk h ASN 33 N 3.79 0.33 0.42 2.95 4.21 -1.32 -0.07 115.58 125.89 1wlk h ASN 33 Ca -0.48 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.12 1wlk h ASN 33 Cb 1.17 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1wlk h ASN 33 CO 0.55 0.16 0.00 -1.54 -1.29 0.00 0.00 177.43 175.30 1wlk n SER 34 N -4.96 0.33 -0.02 5.81 3.41 -1.26 -2.80 113.62 114.13 1wlk n SER 34 Ca 0.13 0.60 -0.07 0.00 -0.26 0.00 0.00 58.87 59.27 1wlk n SER 34 Cb 0.36 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.52 1wlk n SER 34 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1wlk n TYR 35 N -1.89 0.93 -1.72 7.33 0.53 -0.05 -4.96 117.16 117.35 1wlk n TYR 35 Ca 0.02 0.33 -0.43 0.00 -1.02 0.00 0.00 57.90 56.80 1wlk n TYR 35 Cb 0.14 -1.15 -0.01 0.00 -1.03 0.00 0.00 39.34 37.28 1wlk n TYR 35 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1wlk n LEU 36 N -2.99 3.89 -4.06 7.72 4.77 -1.12 -4.72 117.00 120.50 1wlk n LEU 36 Ca -0.16 1.17 -0.31 0.00 -0.03 0.00 0.00 56.01 56.68 1wlk n LEU 36 Cb 1.02 -1.53 -0.16 0.00 -2.33 0.00 0.00 43.42 40.42 1wlk n LEU 36 CO 0.44 -0.17 -0.50 -0.54 -1.33 0.00 0.00 177.39 175.29 1wlk s LYS 37 N -1.03 2.52 -0.19 3.23 -0.14 -0.71 -4.97 119.74 118.45 1wlk s LYS 37 Ca 0.62 -0.65 -0.09 0.00 -1.36 0.00 0.00 55.97 54.49 1wlk s LYS 37 Cb -0.55 -2.24 -0.05 0.00 -1.68 0.00 0.00 37.83 33.31 1wlk s LYS 37 CO 0.54 -0.21 0.11 0.08 -0.76 0.00 0.00 175.35 175.11 1wlk s VAL 38 N 1.37 5.22 -0.22 3.17 1.01 -1.26 0.24 120.40 129.92 1wlk s VAL 38 Ca 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1wlk s VAL 38 Cb -0.13 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1wlk s VAL 38 CO -0.10 0.45 0.02 -0.76 0.00 0.00 0.00 175.10 174.71 1wlk s LEU 39 N 0.30 3.26 -1.37 3.92 1.43 0.47 -4.65 118.68 122.04 1wlk s LEU 39 Ca 0.07 -0.23 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 1wlk s LEU 39 Cb -0.11 -1.85 0.11 0.00 0.03 0.00 0.00 46.19 44.37 1wlk s LEU 39 CO -0.01 0.02 0.56 -0.67 0.23 0.00 0.00 176.35 176.47 1wlk n ASP 40 N 4.58 -3.24 0.00 2.29 -0.08 -1.26 -2.38 116.55 116.46 1wlk n ASP 40 Ca -0.17 -0.59 0.00 0.00 -1.51 0.00 0.00 54.79 52.52 1wlk n ASP 40 Cb 0.51 -2.69 0.00 0.00 2.34 0.00 0.00 41.12 41.28 1wlk n ASP 40 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wlk n GLY 41 N -1.18 0.59 0.00 0.27 0.00 -1.26 -4.75 105.19 98.86 1wlk n GLY 41 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1wlk n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wlk n ASN 42 N 0.00 0.44 -3.92 1.61 6.94 -1.00 -0.79 115.26 118.53 1wlk n ASN 42 Ca 0.00 -1.17 -0.19 0.00 -0.02 0.00 0.00 54.58 53.20 1wlk n ASN 42 Cb 0.00 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 1wlk n ASN 42 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1wlk s ARG 43 N -0.17 0.75 -0.18 -3.83 0.52 -1.07 -1.95 118.95 113.02 1wlk s ARG 43 Ca 0.00 -0.15 -0.03 0.00 -0.52 0.00 0.00 55.73 55.03 1wlk s ARG 43 Cb 0.00 -0.75 -0.01 0.00 0.52 0.00 0.00 34.95 34.71 1wlk s ARG 43 CO 0.00 -0.01 -0.07 0.42 0.02 0.00 0.00 175.30 175.67 1wlk s ILE 44 N 0.57 3.40 -0.16 1.52 1.01 -0.10 -0.40 121.20 127.04 1wlk s ILE 44 Ca -0.08 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 1wlk s ILE 44 Cb -0.11 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1wlk s ILE 44 CO 0.00 0.47 0.01 -0.69 0.00 0.00 0.00 174.94 174.73 1wlk s VAL 45 N 0.88 4.37 -0.08 2.92 1.01 0.14 -0.26 120.40 129.38 1wlk s VAL 45 Ca -0.02 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1wlk s VAL 45 Cb -0.15 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1wlk s VAL 45 CO 0.01 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 174.68 1wlk s VAL 46 N 0.17 1.96 -0.05 2.92 1.01 0.36 -1.74 120.40 125.04 1wlk s VAL 46 Ca 0.02 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 1wlk s VAL 46 Cb -0.13 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1wlk s VAL 46 CO 0.02 0.54 1.23 -2.16 0.00 0.00 0.00 175.10 174.73 1wlk s PRO 47 N 0.15 4.34 -0.28 2.72 0.04 -1.26 -0.29 135.00 140.41 1wlk s PRO 47 Ca -0.12 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 1wlk s PRO 47 Cb -0.16 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.77 1wlk s PRO 47 CO 0.06 -0.48 0.18 0.08 0.04 0.00 0.00 177.00 176.88 1wlk s VAL 48 N 2.29 5.22 -0.10 -0.36 1.01 -0.44 -4.90 120.40 123.12 1wlk s VAL 48 Ca 0.57 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.57 1wlk s VAL 48 Cb -0.26 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1wlk s VAL 48 CO 0.22 0.25 -0.20 0.61 0.00 0.00 0.00 175.10 175.98 1wlk n GLY 49 N 5.05 -0.47 0.00 4.51 0.00 -1.26 0.18 105.19 113.20 1wlk n GLY 49 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1wlk n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wlk n GLY 50 N 1.64 -0.01 4.10 -0.02 0.00 -1.26 -4.59 105.19 105.05 1wlk n GLY 50 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1wlk n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wlk n MET 51 N 0.00 -3.96 -0.03 1.61 2.00 -1.26 -4.88 117.12 110.59 1wlk n MET 51 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 57.70 58.00 1wlk n MET 51 Cb 0.00 -5.19 -0.09 0.00 0.00 0.00 0.00 33.22 27.94 1wlk n MET 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1wlk h HIS 52 N -1.72 0.48 -0.51 2.03 3.86 -1.99 -0.22 115.15 117.08 1wlk h HIS 52 Ca -0.59 -0.20 -0.08 0.00 -1.16 0.00 0.00 60.37 58.34 1wlk h HIS 52 Cb 1.38 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.75 1wlk h HIS 52 CO 0.60 0.93 0.02 -0.22 0.86 0.00 0.00 177.93 180.12 1wlk h LYS 53 N -0.11 0.89 -0.55 2.45 3.64 -1.99 -1.76 116.57 119.13 1wlk h LYS 53 Ca -0.02 -0.27 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1wlk h LYS 53 Cb 0.96 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1wlk h LYS 53 CO 0.07 0.91 0.31 1.15 -2.27 0.00 0.00 179.45 179.61 1wlk h THR 54 N 0.76 1.00 -0.66 1.00 2.02 -1.94 0.20 112.91 115.29 1wlk h THR 54 Ca 0.15 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1wlk h THR 54 Cb 0.50 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1wlk h THR 54 CO 0.02 0.11 0.26 -0.08 0.37 0.00 0.00 175.52 176.20 1wlk h GLU 55 N 0.60 0.99 -0.60 6.66 4.81 -0.77 -0.68 114.58 125.58 1wlk h GLU 55 Ca 0.24 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1wlk h GLU 55 Cb 0.10 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1wlk h GLU 55 CO -0.14 0.83 0.40 0.00 -0.73 0.00 0.00 179.01 179.37 1wlk h ALA 56 N 1.11 0.77 -0.46 2.92 0.00 -0.68 -1.50 119.26 121.42 1wlk h ALA 56 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1wlk h ALA 56 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1wlk h ALA 56 CO -0.02 0.20 0.22 -0.91 0.00 0.00 0.00 179.25 178.74 1wlk h ASN 57 N 0.82 0.61 -0.40 0.00 2.35 -0.47 -2.56 115.58 115.93 1wlk h ASN 57 Ca 0.22 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1wlk h ASN 57 Cb -0.09 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1wlk h ASN 57 CO -0.05 0.57 0.19 0.58 -1.65 0.00 0.00 177.43 177.07 1wlk h VAL 58 N 0.61 1.17 0.00 2.81 2.07 -0.84 0.11 116.25 122.18 1wlk h VAL 58 Ca 0.16 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1wlk h VAL 58 Cb 0.12 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1wlk h VAL 58 CO -0.02 0.20 -0.09 0.00 0.02 0.00 0.00 177.57 177.68 1wlk h ALA 59 N 1.58 1.19 0.01 1.67 0.00 -0.86 -2.63 119.26 120.22 1wlk h ALA 59 Ca 0.15 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.64 1wlk h ALA 59 Cb 0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1wlk h ALA 59 CO -0.02 0.11 -2.17 0.54 0.00 0.00 0.00 179.25 177.71 1wlk n ARG 60 N -3.47 0.67 -3.36 0.00 1.74 -0.54 -4.87 116.66 106.84 1wlk n ARG 60 Ca -0.02 0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 1wlk n ARG 60 Cb 0.23 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 29.97 1wlk n ARG 60 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wlk s ASP 61 N -5.98 0.45 0.00 0.55 3.68 0.28 -5.04 116.67 110.60 1wlk s ASP 61 Ca -0.14 0.05 0.17 0.00 2.13 0.00 0.00 52.55 54.77 1wlk s ASP 61 Cb 0.07 1.01 0.79 0.00 -1.45 0.00 0.00 42.92 43.34 1wlk s ASP 61 CO 0.79 -0.31 1.55 -1.84 0.13 0.00 0.00 175.17 175.48 1wlk n GLU 62 N 5.36 0.08 -2.23 4.34 0.28 -1.02 -3.95 120.64 123.50 1wlk n GLU 62 Ca -0.03 0.18 -0.41 0.00 -0.16 0.00 0.00 57.16 56.73 1wlk n GLU 62 Cb 0.50 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.84 1wlk n GLU 62 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wlk s ARG 63 N -2.87 4.39 0.09 3.44 0.52 -1.26 0.04 118.95 123.29 1wlk s ARG 63 Ca 0.11 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 1wlk s ARG 63 Cb 0.11 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1wlk s ARG 63 CO 0.30 -0.25 -0.04 0.14 0.02 0.00 0.00 175.30 175.47 1wlk s VAL 64 N 0.14 0.47 -0.00 3.52 -7.23 -0.29 -4.53 120.40 112.48 1wlk s VAL 64 Ca 0.57 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.90 1wlk s VAL 64 Cb -0.36 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 1wlk s VAL 64 CO 0.38 -0.87 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.37 1wlk s LEU 65 N -3.00 2.06 -0.01 1.32 1.43 -0.85 -2.25 118.68 117.37 1wlk s LEU 65 Ca 0.12 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1wlk s LEU 65 Cb 0.07 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1wlk s LEU 65 CO -0.06 0.19 -0.00 -0.32 0.23 0.00 0.00 176.35 176.39 1wlk s MET 66 N -0.57 0.09 0.15 1.70 -2.45 0.29 -0.35 119.30 118.16 1wlk s MET 66 Ca 0.06 0.02 0.08 0.00 -1.25 0.00 0.00 55.69 54.59 1wlk s MET 66 Cb -0.07 -0.17 -0.04 0.00 1.25 0.00 0.00 34.83 35.80 1wlk s MET 66 CO -0.00 -0.03 -0.17 0.95 1.05 0.00 0.00 175.02 176.82 1wlk s THR 67 N 0.31 1.63 -0.05 10.11 -4.23 -0.60 0.70 115.64 123.51 1wlk s THR 67 Ca -0.03 -1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 58.35 1wlk s THR 67 Cb -0.04 -1.72 0.11 0.00 1.34 0.00 0.00 72.50 72.18 1wlk s THR 67 CO -0.01 -0.35 0.94 -1.48 -0.54 0.00 0.00 174.62 173.18 1wlk s LEU 68 N -2.57 -0.35 0.00 4.79 2.34 -1.11 -1.71 118.68 120.07 1wlk s LEU 68 Ca 0.13 0.09 -0.09 0.00 0.06 0.00 0.00 54.13 54.32 1wlk s LEU 68 Cb -0.05 1.94 0.03 0.00 -0.56 0.00 0.00 46.19 47.54 1wlk s LEU 68 CO 0.05 -0.53 0.42 0.61 -1.06 0.00 0.00 176.35 175.84 1wlk n GLY 69 N -0.03 0.78 3.64 -3.48 0.00 -1.26 -0.96 105.19 103.88 1wlk n GLY 69 Ca -0.08 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1wlk n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wlk s SER 70 N -1.95 -0.81 0.04 1.61 0.15 -0.39 -4.79 113.70 107.57 1wlk s SER 70 Ca 0.10 1.37 0.20 0.00 0.70 0.00 0.00 55.95 58.31 1wlk s SER 70 Cb -0.01 1.35 0.82 0.00 -1.71 0.00 0.00 66.02 66.48 1wlk s SER 70 CO 0.01 -0.22 1.62 -1.14 1.20 0.00 0.00 173.24 174.71 1wlk n ARG 71 N 3.66 0.04 0.00 5.44 3.00 -1.26 -1.96 116.66 125.57 1wlk n ARG 71 Ca -0.18 0.21 0.14 0.00 -0.00 0.00 0.00 57.85 58.02 1wlk n ARG 71 Cb 0.58 -1.56 0.48 0.00 0.00 0.00 0.00 32.46 31.96 1wlk n ARG 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1wlk n LYS 72 N -1.62 0.95 -4.77 -0.14 5.02 -1.26 -3.07 118.16 113.26 1wlk n LYS 72 Ca 0.04 -0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 55.51 1wlk n LYS 72 Cb 0.23 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.62 1wlk n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wlk s VAL 73 N -2.39 3.19 0.27 -0.18 1.01 -1.13 -4.89 120.40 116.29 1wlk s VAL 73 Ca 0.29 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1wlk s VAL 73 Cb 0.20 -2.31 -0.11 0.00 0.00 0.00 0.00 36.38 34.16 1wlk s VAL 73 CO 0.47 0.55 1.52 0.00 0.00 0.00 0.00 175.10 177.64 1wlk s ALA 74 N -0.15 3.69 0.00 5.51 0.00 -1.26 -0.78 121.76 128.77 1wlk s ALA 74 Ca -0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1wlk s ALA 74 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1wlk s ALA 74 CO 0.03 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1wlk n GLY 75 N 2.14 0.97 0.08 0.00 0.00 0.41 -4.69 105.19 104.11 1wlk n GLY 75 Ca 0.07 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1wlk n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlk n ARG 76 N 0.00 3.40 -1.42 1.61 1.74 -1.26 -4.57 116.66 116.16 1wlk n ARG 76 Ca 0.00 -0.29 0.01 0.00 -0.77 0.00 0.00 57.85 56.80 1wlk n ARG 76 Cb 0.00 -0.88 0.09 0.00 -1.02 0.00 0.00 32.46 30.65 1wlk n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1wlk n ASN 77 N -0.63 1.80 0.00 0.55 5.03 -1.26 -5.11 115.26 115.64 1wlk n ASN 77 Ca 0.02 -2.90 0.00 0.00 0.87 0.00 0.00 54.58 52.57 1wlk n ASN 77 Cb 0.11 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 1wlk n ASN 77 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wlk n GLY 78 N -0.37 -0.24 3.77 7.41 0.00 -1.26 -5.04 105.19 109.46 1wlk n GLY 78 Ca 0.15 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1wlk n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wlk s PRO 79 N 0.00 4.11 0.00 1.61 0.04 -1.26 -0.44 135.00 139.06 1wlk s PRO 79 Ca 0.00 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1wlk s PRO 79 Cb 0.00 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1wlk s PRO 79 CO 0.00 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1wlk n GLY 80 N 1.21 1.58 3.63 0.56 0.00 0.04 -4.71 105.19 107.51 1wlk n GLY 80 Ca 0.04 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 1wlk n GLY 80 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wlk s THR 81 N 0.00 0.00 -0.01 2.61 -1.32 -0.83 -3.04 115.64 113.05 1wlk s THR 81 Ca 0.00 -1.35 -0.29 0.00 -1.21 0.00 0.00 61.69 58.84 1wlk s THR 81 Cb 0.00 -2.40 0.11 0.00 -1.51 0.00 0.00 72.50 68.70 1wlk s THR 81 CO 0.00 0.00 1.28 -0.83 -2.21 0.00 0.00 174.62 172.86 1wlk s GLY 82 N -3.07 -0.31 0.05 6.08 0.00 -1.25 -1.26 107.32 107.56 1wlk s GLY 82 Ca 0.22 0.45 0.02 0.00 0.00 0.00 0.00 44.72 45.41 1wlk s GLY 82 CO 0.12 1.93 -0.07 -1.36 0.00 0.00 0.00 173.10 173.72 1wlk s PHE 83 N -2.28 0.68 -0.26 1.90 0.40 -0.13 -2.13 117.98 116.15 1wlk s PHE 83 Ca 0.19 -0.61 -0.05 0.00 -0.60 0.00 0.00 56.93 55.86 1wlk s PHE 83 Cb 0.03 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 43.15 1wlk s PHE 83 CO -0.03 -0.12 0.00 -1.17 0.70 0.00 0.00 175.22 174.61 1wlk s LEU 84 N -1.93 3.35 -0.15 -0.37 2.96 0.06 -2.75 118.68 119.84 1wlk s LEU 84 Ca -0.05 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 1wlk s LEU 84 Cb -0.06 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1wlk s LEU 84 CO -0.01 -0.11 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.27 1wlk s ILE 85 N 1.46 4.21 -0.09 6.68 -1.09 0.22 -1.32 121.20 131.26 1wlk s ILE 85 Ca 0.03 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 1wlk s ILE 85 Cb -0.16 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.86 1wlk s ILE 85 CO -0.01 0.50 -0.19 -0.13 -1.23 0.00 0.00 174.94 173.89 1wlk s ARG 86 N 0.14 2.93 0.12 2.79 0.52 -0.49 -0.55 118.95 124.42 1wlk s ARG 86 Ca 0.01 -0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 1wlk s ARG 86 Cb -0.13 -2.39 0.04 0.00 0.52 0.00 0.00 34.95 32.99 1wlk s ARG 86 CO 0.02 0.33 0.61 0.41 0.02 0.00 0.00 175.30 176.68 1wlk n GLY 87 N 3.15 0.93 3.65 -3.53 0.00 -0.96 -0.52 105.19 107.92 1wlk n GLY 87 Ca -0.18 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1wlk n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wlk s SER 88 N -2.44 5.19 0.12 1.61 1.04 -0.66 -1.13 113.70 117.43 1wlk s SER 88 Ca 0.13 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.70 1wlk s SER 88 Cb -0.02 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.51 1wlk s SER 88 CO 0.04 0.33 0.10 0.00 0.98 0.00 0.00 173.24 174.69 1wlk s ALA 89 N -0.58 3.55 -0.09 5.32 0.00 0.11 -0.64 121.76 129.42 1wlk s ALA 89 Ca 0.10 -1.12 -0.18 0.00 0.00 0.00 0.00 51.96 50.75 1wlk s ALA 89 Cb -0.12 -1.38 0.04 0.00 0.00 0.00 0.00 23.12 21.66 1wlk s ALA 89 CO 0.02 0.62 0.44 0.00 0.00 0.00 0.00 175.76 176.84 1wlk s ALA 90 N -1.58 -1.10 -0.13 0.00 0.00 -0.37 -4.82 121.76 113.77 1wlk s ALA 90 Ca 0.30 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 53.15 1wlk s ALA 90 Cb -0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1wlk s ALA 90 CO 0.23 -0.26 0.01 -0.06 0.00 0.00 0.00 175.76 175.68 1wlk s PHE 91 N -0.58 3.17 0.05 0.00 0.40 -1.26 0.07 117.98 119.84 1wlk s PHE 91 Ca -0.07 0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.39 1wlk s PHE 91 Cb -0.03 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 1wlk s PHE 91 CO 0.04 0.29 -0.16 1.03 0.70 0.00 0.00 175.22 177.12 1wlk s ARG 92 N -0.31 1.01 -0.01 0.44 1.81 -0.16 -4.95 118.95 116.78 1wlk s ARG 92 Ca 0.07 -0.87 0.01 0.00 -1.72 0.00 0.00 55.73 53.23 1wlk s ARG 92 Cb -0.12 -1.07 0.02 0.00 -0.45 0.00 0.00 34.95 33.33 1wlk s ARG 92 CO 0.02 0.26 0.98 0.25 -0.68 0.00 0.00 175.30 176.13 1wlk n THR 93 N 1.70 1.01 -3.83 0.02 -2.24 -1.26 -0.21 114.28 109.46 1wlk n THR 93 Ca -0.19 -1.04 -0.06 0.00 -2.27 0.00 0.00 64.05 60.49 1wlk n THR 93 Cb 0.54 0.47 0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1wlk n THR 93 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wlk s ASP 94 N -1.09 -0.03 0.00 3.42 3.84 -1.26 -4.99 116.67 116.56 1wlk s ASP 94 Ca 0.03 -0.90 0.00 0.00 -0.00 0.00 0.00 52.55 51.67 1wlk s ASP 94 Cb 0.02 0.70 0.00 0.00 -1.38 0.00 0.00 42.92 42.26 1wlk s ASP 94 CO 0.00 -1.38 0.00 0.61 -0.00 0.00 0.00 175.17 174.40 1wlk n GLY 95 N -0.58 -0.29 0.31 2.12 0.00 -1.26 -3.88 105.19 101.61 1wlk n GLY 95 Ca -0.06 -1.80 0.20 0.00 0.00 0.00 0.00 46.02 44.36 1wlk n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wlk h PRO 96 N 0.00 0.00 -0.27 1.61 0.13 -2.02 -2.16 132.00 129.29 1wlk h PRO 96 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1wlk h PRO 96 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wlk h PRO 96 CO 0.00 0.01 -0.35 0.93 -0.23 0.00 0.00 178.00 178.37 1wlk h GLU 97 N 0.00 0.71 -0.40 0.86 3.07 -2.00 -2.20 114.58 114.61 1wlk h GLU 97 Ca -0.00 -0.40 -0.14 0.00 -0.50 0.00 0.00 59.36 58.32 1wlk h GLU 97 Cb 0.21 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1wlk h GLU 97 CO 0.00 1.02 -0.30 0.35 -1.40 0.00 0.00 179.01 178.68 1wlk h PHE 98 N 0.44 1.07 -0.00 4.33 3.57 -1.52 -2.82 116.94 122.00 1wlk h PHE 98 Ca 0.03 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1wlk h PHE 98 Cb 0.93 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1wlk h PHE 98 CO 0.08 1.11 0.00 0.93 -2.23 0.00 0.00 178.31 178.20 1wlk h GLU 99 N 0.73 0.00 0.00 1.11 4.39 -1.36 0.23 114.58 119.67 1wlk h GLU 99 Ca 0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1wlk h GLU 99 Cb 0.88 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1wlk h GLU 99 CO 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 179.01 177.86 1wlk h ALA 100 N 2.00 1.68 0.00 3.43 0.00 -1.13 -2.74 119.26 122.51 1wlk h ALA 100 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wlk h ALA 100 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wlk h ALA 100 CO -0.00 0.09 0.00 0.44 0.00 0.00 0.00 179.25 179.78 1wlk n ILE 101 N -4.17 0.65 0.33 0.00 -6.64 -0.48 -4.69 119.36 104.35 1wlk n ILE 101 Ca -0.03 -0.82 0.21 0.00 -1.77 0.00 0.00 62.75 60.34 1wlk n ILE 101 Cb 0.16 0.68 1.12 0.00 -1.44 0.00 0.00 39.64 40.15 1wlk n ILE 101 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1wlk h ALA 102 N 0.00 1.13 -0.61 -1.28 0.00 -0.28 -1.03 119.26 117.19 1wlk h ALA 102 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1wlk h ALA 102 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1wlk h ALA 102 CO 0.00 -0.07 0.42 0.00 0.00 0.00 0.00 179.25 179.60 1wlk h ARG 103 N 0.00 0.22 -6.28 0.00 -0.00 -1.84 -3.35 114.38 103.13 1wlk h ARG 103 Ca 0.00 -0.01 -0.55 0.00 -0.50 0.00 0.00 59.98 58.92 1wlk h ARG 103 Cb 0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 29.97 29.97 1wlk h ARG 103 CO -0.00 0.14 1.11 -0.06 0.00 0.00 0.00 179.97 181.16 1wlk s PHE 104 N -5.22 2.34 0.44 3.04 0.40 -0.39 -4.89 117.98 113.69 1wlk s PHE 104 Ca -0.07 -0.21 0.19 0.00 -0.60 0.00 0.00 56.93 56.25 1wlk s PHE 104 Cb 0.20 -4.63 1.14 0.00 0.51 0.00 0.00 43.02 40.24 1wlk s PHE 104 CO 0.75 -2.04 1.87 0.87 0.70 0.00 0.00 175.22 177.36 1wlk h LYS 105 N 9.97 0.34 0.00 0.44 1.57 -1.87 0.84 116.57 127.86 1wlk h LYS 105 Ca -0.20 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1wlk h LYS 105 Cb 1.04 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1wlk h LYS 105 CO 1.30 0.22 0.00 -2.67 -0.57 0.00 0.00 179.45 177.73 1wlk n TRP 106 N -4.48 0.00 -2.54 -1.35 4.27 -1.26 -4.82 117.44 107.26 1wlk n TRP 106 Ca 0.19 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.37 1wlk n TRP 106 Cb 0.72 -0.05 -0.03 0.00 -1.36 0.00 0.00 31.31 30.59 1wlk n TRP 106 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wlk s ALA 107 N -2.11 3.48 -0.13 -1.67 0.00 0.29 -4.44 121.76 117.18 1wlk s ALA 107 Ca 0.38 0.51 0.22 0.00 0.00 0.00 0.00 51.96 53.07 1wlk s ALA 107 Cb 0.18 -3.50 -0.18 0.00 0.00 0.00 0.00 23.12 19.63 1wlk s ALA 107 CO 0.33 -0.74 0.74 2.89 0.00 0.00 0.00 175.76 178.98 1wlk n ARG 108 N 5.25 0.63 -3.51 0.00 1.85 0.13 -4.97 116.66 116.04 1wlk n ARG 108 Ca 0.10 -0.04 -0.06 0.00 -1.00 0.00 0.00 57.85 56.86 1wlk n ARG 108 Cb 0.47 -1.67 0.02 0.00 -1.05 0.00 0.00 32.46 30.23 1wlk n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wlk n ALA 109 N -2.23 -1.91 -3.12 2.89 0.00 -1.18 -4.82 120.51 110.14 1wlk n ALA 109 Ca -0.03 -1.03 -0.28 0.00 0.00 0.00 0.00 53.44 52.10 1wlk n ALA 109 Cb 0.57 0.73 -0.17 0.00 0.00 0.00 0.00 19.45 20.59 1wlk n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wlk s ALA 110 N -1.94 1.77 -0.38 0.00 0.00 0.70 -1.32 121.76 120.59 1wlk s ALA 110 Ca 0.17 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1wlk s ALA 110 Cb -0.04 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1wlk s ALA 110 CO 0.08 0.26 0.44 -1.17 0.00 0.00 0.00 175.76 175.38 1wlk s LEU 111 N 0.26 4.56 -0.27 0.00 2.96 0.61 -0.99 118.68 125.80 1wlk s LEU 111 Ca -0.11 -0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 1wlk s LEU 111 Cb -0.15 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 1wlk s LEU 111 CO 0.05 -0.48 0.13 -0.69 -1.32 0.00 0.00 176.35 174.04 1wlk s VAL 112 N 2.20 4.73 -0.31 1.68 1.01 0.11 -0.48 120.40 129.34 1wlk s VAL 112 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1wlk s VAL 112 Cb -0.16 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1wlk s VAL 112 CO 0.13 0.25 0.12 -0.63 0.00 0.00 0.00 175.10 174.97 1wlk s ILE 113 N 1.67 4.20 -0.48 2.22 1.01 0.64 -1.23 121.20 129.23 1wlk s ILE 113 Ca 0.06 -0.67 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 1wlk s ILE 113 Cb -0.16 -3.19 0.03 0.00 0.01 0.00 0.00 42.46 39.15 1wlk s ILE 113 CO 0.07 0.02 0.86 -0.89 0.00 0.00 0.00 174.94 175.00 1wlk s THR 114 N 1.53 4.55 0.15 2.92 2.01 0.18 -0.93 115.64 126.05 1wlk s THR 114 Ca 0.03 0.47 -0.31 0.00 0.31 0.00 0.00 61.69 62.18 1wlk s THR 114 Cb -0.18 -4.40 -0.09 0.00 0.01 0.00 0.00 72.50 67.84 1wlk s THR 114 CO 0.04 -0.84 1.45 -0.69 -0.69 0.00 0.00 174.62 173.89 1wlk s VAL 115 N 3.55 3.01 -0.22 3.82 1.01 -0.82 -1.65 120.40 129.10 1wlk s VAL 115 Ca 0.32 0.74 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1wlk s VAL 115 Cb -0.12 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 1wlk s VAL 115 CO 0.23 0.07 -0.20 0.52 0.00 0.00 0.00 175.10 175.71 1wlk n VAL 116 N 3.75 1.23 -3.74 2.92 0.31 0.33 -4.96 118.33 118.16 1wlk n VAL 116 Ca 0.12 -0.45 -0.12 0.00 -0.01 0.00 0.00 64.34 63.87 1wlk n VAL 116 Cb 0.41 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 31.94 1wlk n VAL 116 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1wlk s SER 117 N -6.19 -0.18 -0.06 4.52 1.04 -0.83 -5.01 113.70 107.00 1wlk s SER 117 Ca -0.29 -0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1wlk s SER 117 Cb 0.08 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.58 1wlk s SER 117 CO 0.49 -0.56 0.01 0.00 0.98 0.00 0.00 173.24 174.15 1wlk s ALA 118 N -2.05 0.55 -0.11 5.32 0.00 -1.26 -1.40 121.76 122.81 1wlk s ALA 118 Ca -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1wlk s ALA 118 Cb -0.02 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1wlk s ALA 118 CO -0.00 -0.34 -0.18 -2.00 0.00 0.00 0.00 175.76 173.24 1wlk s GLU 119 N 1.69 2.52 -0.64 0.00 2.12 -0.44 -4.97 118.70 118.98 1wlk s GLU 119 Ca 0.00 -0.68 -0.27 0.00 0.36 0.00 0.00 54.97 54.38 1wlk s GLU 119 Cb -0.13 -2.04 0.03 0.00 0.26 0.00 0.00 34.13 32.25 1wlk s GLU 119 CO -0.04 0.01 1.21 -1.14 -0.54 0.00 0.00 175.26 174.76 1wlk s GLN 120 N 0.78 3.37 0.00 4.30 0.74 -1.26 -0.76 119.66 126.82 1wlk s GLN 120 Ca -0.10 0.01 0.24 0.00 0.05 0.00 0.00 55.36 55.55 1wlk s GLN 120 Cb -0.16 -4.09 1.10 0.00 1.10 0.00 0.00 33.01 30.97 1wlk s GLN 120 CO 0.01 -1.86 1.75 0.25 -0.55 0.00 0.00 175.29 174.89 1wlk n THR 121 N 6.52 0.07 -1.80 -0.34 -2.24 -0.91 -5.00 114.28 110.59 1wlk n THR 121 Ca 0.06 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wlk n THR 121 Cb 0.49 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1wlk n THR 121 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71