#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 3.95 0.63 -0.89 1.43 -1.26 -5.03 118.68 117.52 1wlk s LEU 2 Ca 0.00 2.16 -0.15 0.00 -1.03 0.00 0.00 54.13 55.11 1wlk s LEU 2 Cb 0.00 -4.36 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 1wlk s LEU 2 CO 0.00 -0.88 1.07 -2.16 0.23 0.00 0.00 176.35 174.62 1wlk s PRO 3 N -2.87 3.06 0.28 1.29 0.04 -1.26 -4.95 135.00 130.58 1wlk s PRO 3 Ca 0.65 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.93 1wlk s PRO 3 Cb -0.24 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 32.88 1wlk s PRO 3 CO 0.29 -1.02 1.79 0.78 0.04 0.00 0.00 177.00 178.88 1wlk h GLY 4 N 0.10 1.55 1.13 0.56 0.00 -2.00 -1.08 103.07 103.33 1wlk h GLY 4 Ca -0.46 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 46.56 1wlk h GLY 4 CO 0.56 0.03 0.54 -0.84 0.00 0.00 0.00 176.54 176.83 1wlk h THR 5 N 0.78 1.17 -0.40 4.70 2.02 -1.97 -1.63 112.91 117.57 1wlk h THR 5 Ca 0.50 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.34 1wlk h THR 5 Cb 0.64 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1wlk h THR 5 CO -0.33 0.19 0.21 0.15 0.37 0.00 0.00 175.52 176.11 1wlk h PHE 6 N 1.06 0.39 0.00 3.16 3.04 -1.57 -1.36 116.94 121.66 1wlk h PHE 6 Ca 0.31 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.22 1wlk h PHE 6 Cb -0.04 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1wlk h PHE 6 CO -0.00 0.21 -0.28 0.74 -2.02 0.00 0.00 178.31 176.96 1wlk h PHE 7 N 0.43 0.00 -0.35 0.41 0.04 -1.19 -1.97 116.94 114.31 1wlk h PHE 7 Ca 0.17 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.83 1wlk h PHE 7 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1wlk h PHE 7 CO -0.09 0.28 -0.24 0.93 -0.60 0.00 0.00 178.31 178.58 1wlk h GLU 8 N 0.00 0.69 -0.52 1.51 4.39 -0.46 -2.57 114.58 117.62 1wlk h GLU 8 Ca -0.00 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1wlk h GLU 8 Cb 0.53 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1wlk h GLU 8 CO 0.04 0.87 0.29 0.28 -1.16 0.00 0.00 179.01 179.33 1wlk h VAL 9 N 0.60 1.17 0.00 3.13 2.07 -0.53 -2.33 116.25 120.36 1wlk h VAL 9 Ca 0.08 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1wlk h VAL 9 Cb 0.73 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1wlk h VAL 9 CO 0.06 0.18 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 1wlk h LEU 10 N 0.69 0.00 -0.10 2.57 3.38 -1.09 -0.21 115.31 120.56 1wlk h LEU 10 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wlk h LEU 10 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1wlk h LEU 10 CO -0.03 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.79 1wlk n LYS 11 N -2.93 0.21 -4.19 1.13 5.02 -0.88 -4.43 118.16 112.10 1wlk n LYS 11 Ca -0.01 0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 56.20 1wlk n LYS 11 Cb 0.17 -1.77 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 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 -4.25 4.70 0.59 4.39 0.01 -0.09 -5.06 114.94 115.23 1wlk s ASN 12 Ca 0.10 -0.32 -0.15 0.00 -0.71 0.00 0.00 52.86 51.79 1wlk s ASN 12 Cb 0.13 -1.00 -0.04 0.00 0.41 0.00 0.00 41.25 40.74 1wlk s ASN 12 CO 0.55 0.16 1.03 -0.70 -1.51 0.00 0.00 177.10 176.63 1wlk s GLU 13 N -2.41 3.50 0.00 -0.60 2.56 -1.26 -4.55 118.70 115.94 1wlk s GLU 13 Ca 0.24 1.04 0.00 0.00 0.00 0.00 0.00 54.97 56.25 1wlk s GLU 13 Cb -0.11 -2.07 0.00 0.00 2.00 0.00 0.00 34.13 33.96 1wlk s GLU 13 CO 0.16 -0.65 0.00 0.41 -0.56 0.00 0.00 175.26 174.63 1wlk n GLY 14 N -1.52 0.06 3.57 -1.50 0.00 -1.26 -4.91 105.19 99.63 1wlk n GLY 14 Ca 0.08 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 1wlk n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wlk s VAL 15 N -2.00 4.83 -0.09 1.61 1.01 -1.26 -1.27 120.40 123.23 1wlk s VAL 15 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1wlk s VAL 15 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1wlk s VAL 15 CO 0.00 0.36 0.28 -0.69 0.00 0.00 0.00 175.10 175.05 1wlk s VAL 16 N 1.18 5.27 -0.05 2.92 1.01 -0.15 -4.66 120.40 125.92 1wlk s VAL 16 Ca 0.06 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.62 1wlk s VAL 16 Cb -0.14 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1wlk s VAL 16 CO 0.04 0.54 -0.19 0.00 0.00 0.00 0.00 175.10 175.49 1wlk s ALA 17 N -0.61 2.43 -0.13 5.51 0.00 -0.57 -1.62 121.76 126.77 1wlk s ALA 17 Ca 0.18 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1wlk s ALA 17 Cb -0.14 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1wlk s ALA 17 CO 0.07 0.49 -0.10 0.42 0.00 0.00 0.00 175.76 176.64 1wlk s ILE 18 N -0.47 1.22 -0.10 0.00 1.01 0.86 -1.35 121.20 122.36 1wlk s ILE 18 Ca 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 1wlk s ILE 18 Cb -0.12 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1wlk s ILE 18 CO 0.01 0.40 0.05 0.00 0.00 0.00 0.00 174.94 175.41 1wlk s ALA 19 N 1.63 3.51 0.21 9.38 0.00 0.10 -1.66 121.76 134.92 1wlk s ALA 19 Ca 0.05 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1wlk s ALA 19 Cb -0.13 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 1wlk s ALA 19 CO -0.09 0.59 0.00 0.95 0.00 0.00 0.00 175.76 177.21 1wlk s THR 20 N -0.89 0.88 -0.38 0.00 -4.23 -0.62 -1.81 115.64 108.59 1wlk s THR 20 Ca 0.14 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.41 1wlk s THR 20 Cb -0.12 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.47 1wlk s THR 20 CO 0.03 -0.37 0.74 -1.58 -0.54 0.00 0.00 174.62 172.90 1wlk s GLN 21 N -3.89 3.65 0.61 3.99 2.00 -1.26 -1.08 119.66 123.67 1wlk s GLN 21 Ca 0.27 0.14 -0.01 0.00 -2.00 0.00 0.00 55.36 53.76 1wlk s GLN 21 Cb 0.06 -3.84 0.05 0.00 0.80 0.00 0.00 33.01 30.08 1wlk s GLN 21 CO 0.07 -0.88 0.86 0.20 -0.50 0.00 0.00 175.29 175.04 1wlk s GLY 22 N 1.89 1.79 0.22 2.59 0.00 0.25 -4.71 107.32 109.35 1wlk s GLY 22 Ca 0.29 -1.30 0.11 0.00 0.00 0.00 0.00 44.72 43.82 1wlk s GLY 22 CO 0.17 -0.95 1.44 1.05 0.00 0.00 0.00 173.10 174.81 1wlk h GLU 23 N -0.15 0.00 0.02 2.90 9.09 -1.96 -3.24 114.58 121.23 1wlk h GLU 23 Ca -0.42 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 58.70 1wlk h GLU 23 Cb 1.30 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.35 1wlk h GLU 23 CO 0.52 0.74 -1.65 0.22 0.05 0.00 0.00 179.01 178.89 1wlk h ASP 24 N 0.00 0.07 0.00 3.06 -0.00 -2.02 -3.50 116.42 114.03 1wlk h ASP 24 Ca -0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 57.03 56.89 1wlk h ASP 24 Cb 1.45 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.75 1wlk h ASP 24 CO 0.10 1.12 0.00 0.61 -0.00 0.00 0.00 179.24 181.06 1wlk n GLY 25 N 1.58 -0.55 3.80 -0.78 0.00 -1.22 -5.14 105.19 102.88 1wlk n GLY 25 Ca -0.16 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1wlk n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wlk s PRO 26 N -0.98 2.90 0.14 1.61 0.02 -1.26 0.88 135.00 138.30 1wlk s PRO 26 Ca 0.00 1.10 0.08 0.00 0.02 0.00 0.00 61.00 62.20 1wlk s PRO 26 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1wlk s PRO 26 CO 0.00 -1.14 -0.18 -1.58 -0.33 0.00 0.00 177.00 173.77 1wlk s HIS 27 N -2.81 1.74 -0.09 6.54 2.46 -0.24 -4.65 115.29 118.24 1wlk s HIS 27 Ca 0.61 -0.46 -0.04 0.00 0.47 0.00 0.00 55.06 55.63 1wlk s HIS 27 Cb -0.16 -0.90 0.04 0.00 -0.13 0.00 0.00 32.58 31.44 1wlk s HIS 27 CO 0.49 0.26 0.19 -1.17 -2.47 0.00 0.00 174.74 172.05 1wlk s LEU 28 N -2.39 0.44 0.34 8.88 2.96 -1.26 -1.59 118.68 126.06 1wlk s LEU 28 Ca 0.12 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.47 1wlk s LEU 28 Cb -0.07 0.52 -0.04 0.00 0.50 0.00 0.00 46.19 47.10 1wlk s LEU 28 CO 0.05 -0.17 0.14 0.68 -1.32 0.00 0.00 176.35 175.73 1wlk s VAL 29 N 1.42 0.49 0.32 1.68 -7.23 -0.67 -4.95 120.40 111.47 1wlk s VAL 29 Ca -0.07 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1wlk s VAL 29 Cb -0.11 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1wlk s VAL 29 CO -0.07 0.00 0.14 0.20 -0.31 0.00 0.00 175.10 175.05 1wlk s ASN 30 N -3.45 1.85 0.30 4.85 -0.87 -1.26 -0.10 114.94 116.26 1wlk s ASN 30 Ca 0.33 -1.54 -0.09 0.00 -1.57 0.00 0.00 52.86 49.99 1wlk s ASN 30 Cb 0.05 0.33 0.04 0.00 -0.02 0.00 0.00 41.25 41.64 1wlk s ASN 30 CO 0.17 -0.85 0.55 1.07 -2.57 0.00 0.00 177.10 175.47 1wlk n THR 31 N -0.65 0.00 -4.16 1.60 5.66 -0.64 -4.97 114.28 111.12 1wlk n THR 31 Ca -0.01 -0.95 -0.30 0.00 -3.05 0.00 0.00 64.05 59.74 1wlk n THR 31 Cb 0.65 0.80 -0.08 0.00 -1.55 0.00 0.00 70.33 70.15 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 -3.61 2.99 0.21 1.09 0.52 -1.26 -0.97 118.94 117.91 1wlk s TRP 32 Ca 0.15 -0.02 -0.12 0.00 0.02 0.00 0.00 56.10 56.14 1wlk s TRP 32 Cb -0.03 -1.55 0.26 0.00 -1.15 0.00 0.00 33.47 31.00 1wlk s TRP 32 CO 0.11 0.47 1.66 -0.91 0.02 0.00 0.00 176.95 178.31 1wlk h ASN 33 N 3.59 -0.30 0.40 2.95 4.21 -1.48 -0.44 115.58 124.51 1wlk h ASN 33 Ca -0.48 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.18 1wlk h ASN 33 Cb 1.17 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.64 1wlk h ASN 33 CO 0.59 -0.12 0.00 -1.54 -1.29 0.00 0.00 177.43 175.07 1wlk n SER 34 N -5.29 0.53 0.11 5.81 3.41 -1.26 -2.59 113.62 114.34 1wlk n SER 34 Ca 0.08 0.68 0.04 0.00 -0.26 0.00 0.00 58.87 59.40 1wlk n SER 34 Cb 0.33 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1wlk n SER 34 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1wlk h TYR 35 N 0.00 0.00 -3.26 7.33 0.99 -1.45 -3.47 116.97 117.11 1wlk h TYR 35 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 1wlk h TYR 35 Cb 0.20 0.00 0.07 0.00 1.00 0.00 0.00 36.73 38.00 1wlk h TYR 35 CO 0.00 0.41 0.85 -0.51 -0.00 0.00 0.00 178.16 178.91 1wlk s LEU 36 N -6.07 4.36 -0.10 3.88 1.43 -1.07 -4.68 118.68 116.42 1wlk s LEU 36 Ca 0.01 2.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.97 1wlk s LEU 36 Cb 0.08 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 1wlk s LEU 36 CO 0.76 -0.84 -0.22 -0.54 0.23 0.00 0.00 176.35 175.74 1wlk s LYS 37 N -0.20 3.08 -0.15 1.70 -0.14 -0.77 -4.97 119.74 118.29 1wlk s LYS 37 Ca 0.63 -0.85 -0.03 0.00 -1.36 0.00 0.00 55.97 54.36 1wlk s LYS 37 Cb -0.46 -2.35 -0.03 0.00 -1.68 0.00 0.00 37.83 33.32 1wlk s LYS 37 CO 0.44 0.20 -0.05 0.08 -0.76 0.00 0.00 175.35 175.25 1wlk s VAL 38 N 0.31 3.79 0.32 3.17 1.01 -1.26 0.25 120.40 127.99 1wlk s VAL 38 Ca -0.17 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1wlk s VAL 38 Cb -0.17 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 1wlk s VAL 38 CO 0.08 0.50 -0.06 -0.76 0.00 0.00 0.00 175.10 174.86 1wlk s LEU 39 N 0.30 2.84 0.98 3.92 1.43 0.64 -5.02 118.68 123.78 1wlk s LEU 39 Ca -0.04 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 51.90 1wlk s LEU 39 Cb -0.14 -1.21 0.18 0.00 0.03 0.00 0.00 46.19 45.04 1wlk s LEU 39 CO 0.03 -0.16 1.09 1.51 0.23 0.00 0.00 176.35 179.05 1wlk s ASP 40 N -3.64 2.58 0.00 2.29 1.47 -1.26 -2.52 116.67 115.59 1wlk s ASP 40 Ca 0.33 1.68 0.00 0.00 1.18 0.00 0.00 52.55 55.73 1wlk s ASP 40 Cb -0.01 -2.31 0.00 0.00 -0.34 0.00 0.00 42.92 40.26 1wlk s ASP 40 CO 0.18 -3.23 0.00 0.61 0.68 0.00 0.00 175.17 173.41 1wlk n GLY 41 N -0.22 0.41 3.76 2.12 0.00 -1.26 -3.89 105.19 106.11 1wlk n GLY 41 Ca 0.07 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1wlk n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wlk n ASN 42 N 1.94 -1.09 -4.27 1.61 3.02 -1.24 -4.75 115.26 110.48 1wlk n ASN 42 Ca 0.00 -0.87 -0.35 0.00 -0.03 0.00 0.00 54.58 53.33 1wlk n ASN 42 Cb 0.25 -3.80 -0.14 0.00 -0.61 0.00 0.00 39.78 35.48 1wlk n ASN 42 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1wlk s ARG 43 N -6.11 3.29 -0.19 3.52 0.52 -1.05 -0.83 118.95 118.11 1wlk s ARG 43 Ca 0.02 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 1wlk s ARG 43 Cb -0.01 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1wlk s ARG 43 CO 0.83 -0.19 0.05 0.42 0.02 0.00 0.00 175.30 176.43 1wlk s ILE 44 N 1.42 4.60 -0.08 1.52 1.01 0.15 -0.26 121.20 129.56 1wlk s ILE 44 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1wlk s ILE 44 Cb -0.14 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1wlk s ILE 44 CO -0.05 0.45 -0.13 -0.69 0.00 0.00 0.00 174.94 174.51 1wlk s VAL 45 N 0.54 3.10 -0.06 2.92 1.01 0.14 0.02 120.40 128.07 1wlk s VAL 45 Ca 0.02 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1wlk s VAL 45 Cb -0.13 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1wlk s VAL 45 CO 0.01 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 174.79 1wlk s VAL 46 N -0.28 1.65 -0.05 2.92 1.01 0.11 -1.84 120.40 123.91 1wlk s VAL 46 Ca 0.02 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1wlk s VAL 46 Cb -0.13 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1wlk s VAL 46 CO 0.03 0.47 1.28 -2.16 0.00 0.00 0.00 175.10 174.72 1wlk s PRO 47 N 0.07 4.31 -0.26 2.72 0.04 -1.26 -0.57 135.00 140.05 1wlk s PRO 47 Ca -0.06 1.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1wlk s PRO 47 Cb -0.13 -3.60 -0.05 0.00 0.04 0.00 0.00 34.50 30.76 1wlk s PRO 47 CO 0.04 -0.53 0.17 0.08 0.04 0.00 0.00 177.00 176.79 1wlk s VAL 48 N 2.50 5.27 -0.07 -0.36 1.01 0.16 -4.92 120.40 123.98 1wlk s VAL 48 Ca 0.59 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1wlk s VAL 48 Cb -0.27 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1wlk s VAL 48 CO 0.23 0.30 -0.18 0.61 0.00 0.00 0.00 175.10 176.06 1wlk n GLY 49 N 4.72 -0.38 0.00 4.51 0.00 -1.26 0.35 105.19 113.13 1wlk n GLY 49 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 2.01 0.03 3.94 -0.02 0.00 -1.26 -4.68 105.19 105.22 1wlk n GLY 50 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.73 -0.05 1.61 2.00 -1.26 -4.88 117.12 110.82 1wlk n MET 51 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 57.70 57.99 1wlk n MET 51 Cb 0.00 -5.21 -0.07 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 -1.48 0.79 -0.51 2.03 3.86 -1.99 -1.36 115.15 116.48 1wlk h HIS 52 Ca -0.54 -0.31 -0.12 0.00 -1.16 0.00 0.00 60.37 58.23 1wlk h HIS 52 Cb 1.36 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.67 1wlk h HIS 52 CO 0.63 1.09 -0.14 -0.22 0.86 0.00 0.00 177.93 180.15 1wlk h LYS 53 N 0.26 0.98 -0.57 2.45 3.64 -2.00 -2.28 116.57 119.06 1wlk h LYS 53 Ca -0.01 -0.38 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1wlk h LYS 53 Cb 1.10 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1wlk h LYS 53 CO 0.10 1.05 0.36 1.15 -2.27 0.00 0.00 179.45 179.84 1wlk h THR 54 N 0.87 1.11 -0.51 1.00 2.02 -1.94 -0.85 112.91 114.60 1wlk h THR 54 Ca 0.13 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 1wlk h THR 54 Cb 0.70 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1wlk h THR 54 CO 0.05 0.13 -0.00 -0.08 0.37 0.00 0.00 175.52 175.99 1wlk h GLU 55 N 0.73 0.87 -0.77 6.66 4.81 -1.11 -0.64 114.58 125.13 1wlk h GLU 55 Ca 0.22 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1wlk h GLU 55 Cb -0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1wlk h GLU 55 CO -0.07 0.87 0.26 0.00 -0.73 0.00 0.00 179.01 179.34 1wlk h ALA 56 N 1.19 1.00 -0.39 2.92 0.00 -0.90 -1.70 119.26 121.38 1wlk h ALA 56 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1wlk h ALA 56 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1wlk h ALA 56 CO 0.02 0.67 -0.11 -0.91 0.00 0.00 0.00 179.25 178.92 1wlk h ASN 57 N 1.13 0.78 0.07 0.00 2.35 -0.77 -2.81 115.58 116.32 1wlk h ASN 57 Ca 0.25 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1wlk h ASN 57 Cb 0.28 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 1wlk h ASN 57 CO -0.01 0.97 -0.07 0.58 -1.65 0.00 0.00 177.43 177.25 1wlk h VAL 58 N 0.57 1.02 0.00 2.81 2.07 -0.83 -0.87 116.25 121.03 1wlk h VAL 58 Ca 0.10 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1wlk h VAL 58 Cb 0.64 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1wlk h VAL 58 CO 0.04 0.07 -0.31 0.00 0.02 0.00 0.00 177.57 177.39 1wlk h ALA 59 N 1.93 1.40 0.00 1.67 0.00 -1.04 -2.44 119.26 120.77 1wlk h ALA 59 Ca -0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1wlk h ALA 59 Cb 0.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1wlk h ALA 59 CO 0.01 0.38 -1.65 0.54 0.00 0.00 0.00 179.25 178.53 1wlk n ARG 60 N -4.03 0.64 -3.23 0.00 1.74 -0.61 -4.81 116.66 106.35 1wlk n ARG 60 Ca -0.02 0.13 -0.02 0.00 -0.77 0.00 0.00 57.85 57.17 1wlk n ARG 60 Cb 0.36 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 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 -5.58 -0.64 0.00 0.55 3.68 -0.43 -5.03 116.67 109.21 1wlk s ASP 61 Ca -0.05 -0.02 0.09 0.00 2.13 0.00 0.00 52.55 54.70 1wlk s ASP 61 Cb 0.09 1.59 0.40 0.00 -1.45 0.00 0.00 42.92 43.55 1wlk s ASP 61 CO 0.83 -0.32 1.27 -1.84 0.13 0.00 0.00 175.17 175.23 1wlk n GLU 62 N 5.39 0.03 -2.50 4.34 0.00 -0.94 -4.13 120.64 122.84 1wlk n GLU 62 Ca 0.02 0.31 -0.42 0.00 0.00 0.00 0.00 57.16 57.08 1wlk n GLU 62 Cb 0.52 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.43 1wlk n GLU 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1wlk s ARG 63 N -2.91 4.47 0.17 3.44 0.52 -1.26 0.12 118.95 123.48 1wlk s ARG 63 Ca 0.05 1.68 0.01 0.00 -0.52 0.00 0.00 55.73 56.95 1wlk s ARG 63 Cb 0.06 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1wlk s ARG 63 CO 0.16 -0.20 0.01 0.14 0.02 0.00 0.00 175.30 175.43 1wlk s VAL 64 N 1.05 0.61 0.07 3.52 -7.23 -0.30 -4.54 120.40 113.58 1wlk s VAL 64 Ca 0.57 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.86 1wlk s VAL 64 Cb -0.27 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1wlk s VAL 64 CO 0.29 -0.47 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.61 1wlk s LEU 65 N -3.16 2.22 -0.05 1.32 1.43 -0.75 -2.38 118.68 117.31 1wlk s LEU 65 Ca 0.24 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1wlk s LEU 65 Cb 0.06 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1wlk s LEU 65 CO 0.04 0.17 0.14 -0.32 0.23 0.00 0.00 176.35 176.61 1wlk s MET 66 N -1.50 0.15 0.09 1.70 -2.45 0.41 0.00 119.30 117.70 1wlk s MET 66 Ca 0.10 0.22 0.06 0.00 -1.25 0.00 0.00 55.69 54.82 1wlk s MET 66 Cb -0.10 0.03 -0.03 0.00 1.25 0.00 0.00 34.83 35.98 1wlk s MET 66 CO 0.03 -0.04 -0.15 0.95 1.05 0.00 0.00 175.02 176.86 1wlk s THR 67 N 0.27 1.25 0.02 10.11 -4.23 -0.45 0.81 115.64 123.42 1wlk s THR 67 Ca -0.02 -1.48 -0.28 0.00 -1.18 0.00 0.00 61.69 58.74 1wlk s THR 67 Cb -0.03 -1.29 0.10 0.00 1.34 0.00 0.00 72.50 72.62 1wlk s THR 67 CO -0.01 -0.28 0.86 -1.48 -0.54 0.00 0.00 174.62 173.17 1wlk s LEU 68 N -2.02 -0.38 0.00 4.79 2.34 -1.08 -1.51 118.68 120.82 1wlk s LEU 68 Ca 0.03 -0.03 -0.04 0.00 0.06 0.00 0.00 54.13 54.15 1wlk s LEU 68 Cb -0.08 2.10 0.01 0.00 -0.56 0.00 0.00 46.19 47.66 1wlk s LEU 68 CO 0.03 -0.68 0.20 0.61 -1.06 0.00 0.00 176.35 175.45 1wlk n GLY 69 N -0.27 0.66 3.64 -3.48 0.00 -1.26 -0.58 105.19 103.90 1wlk n GLY 69 Ca -0.09 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.45 -0.76 0.53 1.61 0.15 0.01 -4.78 113.70 109.00 1wlk s SER 70 Ca 0.05 1.34 0.30 0.00 0.70 0.00 0.00 55.95 58.34 1wlk s SER 70 Cb -0.00 1.34 1.42 0.00 -1.71 0.00 0.00 66.02 67.07 1wlk s SER 70 CO 0.00 -0.22 2.03 0.03 1.20 0.00 0.00 173.24 176.28 1wlk h ARG 71 N 5.74 0.00 -0.03 5.44 2.47 -1.93 -2.03 114.38 124.04 1wlk h ARG 71 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1wlk h ARG 71 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1wlk h ARG 71 CO 0.11 0.11 0.00 1.63 0.56 0.00 0.00 179.97 182.38 1wlk n LYS 72 N -3.40 1.38 -5.09 0.04 5.02 -1.26 -2.62 118.16 112.23 1wlk n LYS 72 Ca -0.01 -0.56 -0.32 0.00 -2.02 0.00 0.00 58.31 55.40 1wlk n LYS 72 Cb 0.28 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.98 2.56 0.26 -0.18 1.01 -1.15 -4.89 120.40 116.04 1wlk s VAL 73 Ca 0.40 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 1wlk s VAL 73 Cb 0.20 -1.96 -0.10 0.00 0.00 0.00 0.00 36.38 34.53 1wlk s VAL 73 CO 0.33 0.58 1.34 0.00 0.00 0.00 0.00 175.10 177.35 1wlk s ALA 74 N -0.58 3.54 0.00 5.51 0.00 -1.26 -0.24 121.76 128.73 1wlk s ALA 74 Ca 0.08 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1wlk s ALA 74 Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1wlk s ALA 74 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1wlk n GLY 75 N 1.73 3.46 0.07 0.00 0.00 0.12 -4.69 105.19 105.88 1wlk n GLY 75 Ca 0.04 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.44 1wlk n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1wlk n ARG 76 N 0.00 0.64 -2.92 1.61 0.63 -1.25 -4.48 116.66 110.88 1wlk n ARG 76 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 1wlk n ARG 76 Cb 0.00 -1.68 -0.03 0.00 0.45 0.00 0.00 32.46 31.21 1wlk n ARG 76 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1wlk n ASN 77 N -2.56 3.34 0.00 6.15 2.04 -1.26 -5.10 115.26 117.86 1wlk n ASN 77 Ca -0.06 -3.44 0.00 0.00 -0.44 0.00 0.00 54.58 50.63 1wlk n ASN 77 Cb 0.67 -0.56 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 1wlk n ASN 77 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1wlk n GLY 78 N -0.13 -1.70 3.77 4.83 0.00 -1.26 -4.93 105.19 105.78 1wlk n GLY 78 Ca 0.29 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1wlk n GLY 78 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wlk s PRO 79 N 0.00 3.88 0.00 1.61 0.02 -1.26 -0.70 135.00 138.54 1wlk s PRO 79 Ca 0.00 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.54 1wlk s PRO 79 Cb 0.00 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.71 1wlk s PRO 79 CO 0.00 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 1wlk n GLY 80 N 0.50 0.08 3.54 0.52 0.00 0.67 -4.72 105.19 105.78 1wlk n GLY 80 Ca 0.03 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 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 0.05 2.61 -1.32 -0.77 -3.65 115.64 112.55 1wlk s THR 81 Ca 0.00 -1.49 -0.28 0.00 -1.21 0.00 0.00 61.69 58.71 1wlk s THR 81 Cb 0.00 -2.37 0.10 0.00 -1.51 0.00 0.00 72.50 68.72 1wlk s THR 81 CO 0.00 0.00 1.16 -0.83 -2.21 0.00 0.00 174.62 172.74 1wlk s GLY 82 N -3.09 -0.32 0.11 6.08 0.00 -1.23 -0.81 107.32 108.06 1wlk s GLY 82 Ca 0.26 0.42 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1wlk s GLY 82 CO 0.12 0.36 -0.09 -1.36 0.00 0.00 0.00 173.10 172.12 1wlk s PHE 83 N -2.71 1.07 -0.25 1.90 0.40 0.26 -1.95 117.98 116.70 1wlk s PHE 83 Ca 0.14 -0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1wlk s PHE 83 Cb 0.02 -0.58 0.03 0.00 0.51 0.00 0.00 43.02 43.00 1wlk s PHE 83 CO -0.01 -0.01 -0.08 -1.17 0.70 0.00 0.00 175.22 174.65 1wlk s LEU 84 N -2.69 3.18 -0.13 -0.37 2.96 -0.18 -2.65 118.68 118.81 1wlk s LEU 84 Ca 0.09 -0.96 -0.04 0.00 -0.22 0.00 0.00 54.13 53.00 1wlk s LEU 84 Cb -0.00 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1wlk s LEU 84 CO -0.01 -0.14 0.01 -0.63 -1.32 0.00 0.00 176.35 174.27 1wlk s ILE 85 N 1.28 4.36 -0.05 6.68 1.09 0.24 -1.66 121.20 133.14 1wlk s ILE 85 Ca -0.01 -0.21 0.05 0.00 -1.10 0.00 0.00 60.65 59.38 1wlk s ILE 85 Cb -0.17 -2.89 -0.02 0.00 -1.06 0.00 0.00 42.46 38.32 1wlk s ILE 85 CO -0.05 0.53 -0.19 -0.13 -0.10 0.00 0.00 174.94 175.00 1wlk s ARG 86 N -0.19 2.52 0.06 2.79 0.52 -0.57 -0.44 118.95 123.63 1wlk s ARG 86 Ca 0.05 -0.80 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1wlk s ARG 86 Cb -0.12 -2.28 0.05 0.00 0.52 0.00 0.00 34.95 33.12 1wlk s ARG 86 CO 0.02 0.51 0.71 0.41 0.02 0.00 0.00 175.30 176.96 1wlk n GLY 87 N 2.61 0.67 3.48 -3.53 0.00 -1.00 -0.72 105.19 106.70 1wlk n GLY 87 Ca -0.17 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1wlk n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wlk s SER 88 N -2.62 4.35 0.15 1.61 0.01 -0.39 -1.15 113.70 115.66 1wlk s SER 88 Ca 0.16 -0.16 0.06 0.00 1.31 0.00 0.00 55.95 57.31 1wlk s SER 88 Cb -0.01 -1.31 -0.04 0.00 0.21 0.00 0.00 66.02 64.86 1wlk s SER 88 CO 0.02 0.27 0.06 0.00 0.41 0.00 0.00 173.24 174.00 1wlk s ALA 89 N -0.28 3.37 -0.09 1.44 0.00 0.12 -0.90 121.76 125.42 1wlk s ALA 89 Ca 0.03 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 1wlk s ALA 89 Cb -0.13 -1.18 0.04 0.00 0.00 0.00 0.00 23.12 21.85 1wlk s ALA 89 CO 0.03 0.53 0.46 0.00 0.00 0.00 0.00 175.76 176.77 1wlk s ALA 90 N -1.67 -1.16 -0.18 0.00 0.00 -0.75 -4.78 121.76 113.23 1wlk s ALA 90 Ca 0.29 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 53.15 1wlk s ALA 90 Cb -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1wlk s ALA 90 CO 0.21 -0.27 0.02 -0.06 0.00 0.00 0.00 175.76 175.66 1wlk s PHE 91 N -0.64 3.14 -0.01 0.00 0.40 -1.26 -0.37 117.98 119.24 1wlk s PHE 91 Ca -0.07 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.18 1wlk s PHE 91 Cb -0.03 -2.05 -0.02 0.00 0.51 0.00 0.00 43.02 41.42 1wlk s PHE 91 CO 0.04 0.00 -0.24 1.03 0.70 0.00 0.00 175.22 176.75 1wlk s ARG 92 N 0.54 1.91 0.00 0.44 1.81 0.09 -4.93 118.95 118.82 1wlk s ARG 92 Ca 0.01 -0.90 0.06 0.00 -1.72 0.00 0.00 55.73 53.17 1wlk s ARG 92 Cb -0.13 -1.89 0.11 0.00 -0.45 0.00 0.00 34.95 32.59 1wlk s ARG 92 CO 0.02 0.51 0.95 0.25 -0.68 0.00 0.00 175.30 176.35 1wlk n THR 93 N 2.35 0.58 -3.83 0.02 -2.24 -1.26 -0.07 114.28 109.84 1wlk n THR 93 Ca -0.16 -0.79 -0.07 0.00 -2.27 0.00 0.00 64.05 60.76 1wlk n THR 93 Cb 0.52 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.79 -0.07 0.00 3.42 1.47 -1.26 -5.00 116.67 114.44 1wlk s ASP 94 Ca 0.10 -0.92 0.00 0.00 1.18 0.00 0.00 52.55 52.91 1wlk s ASP 94 Cb 0.06 0.76 0.00 0.00 -0.34 0.00 0.00 42.92 43.40 1wlk s ASP 94 CO 0.08 -1.49 0.00 0.61 0.68 0.00 0.00 175.17 175.05 1wlk n GLY 95 N -0.53 0.22 0.23 2.12 0.00 -1.26 -3.99 105.19 101.99 1wlk n GLY 95 Ca -0.07 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 43.99 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 0.22 -0.23 1.61 0.13 -2.02 -2.13 132.00 129.57 1wlk h PRO 96 Ca 0.00 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.95 1wlk h PRO 96 Cb 0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 1wlk h PRO 96 CO 0.00 0.39 -0.39 0.93 -0.23 0.00 0.00 178.00 178.70 1wlk h GLU 97 N 0.20 0.53 -0.13 0.86 5.08 -2.01 -2.29 114.58 116.83 1wlk h GLU 97 Ca 0.04 -0.26 -0.18 0.00 -1.00 0.00 0.00 59.36 57.96 1wlk h GLU 97 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wlk h GLU 97 CO 0.03 0.84 -0.67 0.35 -1.00 0.00 0.00 179.01 178.56 1wlk h PHE 98 N 0.44 0.66 0.00 4.33 3.57 -1.61 -2.98 116.94 121.35 1wlk h PHE 98 Ca 0.04 -0.27 -0.03 0.00 3.53 0.00 0.00 57.97 61.24 1wlk h PHE 98 Cb 0.88 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1wlk h PHE 98 CO 0.03 1.02 -0.13 0.93 -2.23 0.00 0.00 178.31 177.94 1wlk h GLU 99 N 0.36 0.00 0.00 1.11 5.08 -1.15 -1.44 114.58 118.54 1wlk h GLU 99 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1wlk h GLU 99 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1wlk h GLU 99 CO 0.12 0.13 -0.07 0.00 -1.00 0.00 0.00 179.01 178.19 1wlk h ALA 100 N 1.87 1.72 0.00 3.43 0.00 -1.25 -3.03 119.26 122.00 1wlk h ALA 100 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wlk h ALA 100 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wlk h ALA 100 CO 0.02 0.09 0.00 0.44 0.00 0.00 0.00 179.25 179.80 1wlk n ILE 101 N -4.22 0.83 0.33 0.00 -6.64 -0.90 -4.68 119.36 104.09 1wlk n ILE 101 Ca -0.03 -0.85 0.22 0.00 -1.77 0.00 0.00 62.75 60.32 1wlk n ILE 101 Cb 0.16 0.59 1.13 0.00 -1.44 0.00 0.00 39.64 40.07 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 1.02 -0.02 -1.28 0.00 -1.15 -0.20 119.26 117.63 1wlk h ALA 102 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wlk h ALA 102 Cb 0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wlk h ALA 102 CO 0.00 0.00 0.05 -0.09 0.00 0.00 0.00 179.25 179.22 1wlk h ARG 103 N 0.00 0.00 -5.34 0.00 2.43 -1.83 -3.31 114.38 106.32 1wlk h ARG 103 Ca -0.00 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.52 1wlk h ARG 103 Cb 0.08 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.48 1wlk h ARG 103 CO 0.00 0.00 0.65 -0.06 -1.51 0.00 0.00 179.97 179.05 1wlk s PHE 104 N -4.34 2.79 0.27 2.20 0.40 -0.09 -4.91 117.98 114.31 1wlk s PHE 104 Ca -0.05 -0.79 -0.04 0.00 -0.60 0.00 0.00 56.93 55.44 1wlk s PHE 104 Cb 0.13 -4.30 0.54 0.00 0.51 0.00 0.00 43.02 39.91 1wlk s PHE 104 CO 0.45 -1.61 1.60 0.87 0.70 0.00 0.00 175.22 177.23 1wlk h LYS 105 N 9.38 0.04 0.00 0.44 1.57 -1.85 -0.41 116.57 125.73 1wlk h LYS 105 Ca -0.15 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1wlk h LYS 105 Cb 1.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1wlk h LYS 105 CO 1.17 0.03 0.00 -2.67 -0.57 0.00 0.00 179.45 177.41 1wlk n TRP 106 N -5.46 0.38 -1.79 -1.35 4.27 -1.26 -4.83 117.44 107.39 1wlk n TRP 106 Ca 0.17 0.15 -0.42 0.00 -3.89 0.00 0.00 57.50 53.52 1wlk n TRP 106 Cb 0.57 -0.75 -0.03 0.00 -1.36 0.00 0.00 31.31 29.74 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 -3.16 3.81 -0.59 -1.67 0.00 -0.17 -4.68 121.76 115.30 1wlk s ALA 107 Ca 0.05 1.44 0.22 0.00 0.00 0.00 0.00 51.96 53.67 1wlk s ALA 107 Cb 0.08 -3.71 -0.11 0.00 0.00 0.00 0.00 23.12 19.38 1wlk s ALA 107 CO 0.29 -1.04 0.87 2.89 0.00 0.00 0.00 175.76 178.77 1wlk n ARG 108 N 4.89 0.29 -3.76 0.00 1.85 0.15 -4.96 116.66 115.13 1wlk n ARG 108 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 57.85 56.96 1wlk n ARG 108 Cb 0.38 -1.55 -0.00 0.00 -1.05 0.00 0.00 32.46 30.24 1wlk n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wlk s ALA 109 N -3.21 -1.96 -0.10 2.89 0.00 -1.20 -4.81 121.76 113.37 1wlk s ALA 109 Ca 0.02 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.25 1wlk s ALA 109 Cb 0.15 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.86 1wlk s ALA 109 CO 0.84 -1.07 -0.24 0.00 0.00 0.00 0.00 175.76 175.30 1wlk s ALA 110 N -2.58 2.19 -0.38 0.00 0.00 0.91 -0.67 121.76 121.22 1wlk s ALA 110 Ca 0.17 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1wlk s ALA 110 Cb 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1wlk s ALA 110 CO 0.00 0.29 0.48 -1.17 0.00 0.00 0.00 175.76 175.37 1wlk s LEU 111 N 0.33 4.54 -0.27 0.00 2.96 0.27 -0.73 118.68 125.78 1wlk s LEU 111 Ca -0.18 -0.30 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 1wlk s LEU 111 Cb -0.18 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 1wlk s LEU 111 CO 0.09 -0.53 0.16 -0.69 -1.32 0.00 0.00 176.35 174.06 1wlk s VAL 112 N 2.31 5.11 -0.29 1.68 1.01 0.50 -0.71 120.40 130.02 1wlk s VAL 112 Ca 0.16 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.19 1wlk s VAL 112 Cb -0.16 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1wlk s VAL 112 CO 0.14 0.28 0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1wlk s ILE 113 N 1.65 3.71 -0.45 2.22 1.01 0.10 -1.80 121.20 127.64 1wlk s ILE 113 Ca 0.07 -0.81 -0.20 0.00 0.00 0.00 0.00 60.65 59.71 1wlk s ILE 113 Cb -0.16 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.42 1wlk s ILE 113 CO 0.09 0.08 0.64 -0.89 0.00 0.00 0.00 174.94 174.86 1wlk s THR 114 N 1.45 4.83 0.13 2.92 2.01 -0.08 -0.67 115.64 126.23 1wlk s THR 114 Ca 0.02 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1wlk s THR 114 Cb -0.17 -4.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.05 1wlk s THR 114 CO 0.01 -0.63 1.17 -0.69 -0.69 0.00 0.00 174.62 173.79 1wlk s VAL 115 N 2.79 3.85 -0.16 3.82 1.01 -0.01 -1.26 120.40 130.44 1wlk s VAL 115 Ca 0.21 1.45 0.14 0.00 0.00 0.00 0.00 61.98 63.78 1wlk s VAL 115 Cb -0.15 -3.93 -0.20 0.00 0.00 0.00 0.00 36.38 32.10 1wlk s VAL 115 CO 0.18 0.18 0.37 1.33 0.00 0.00 0.00 175.10 177.16 1wlk n VAL 116 N 3.11 0.00 -3.57 2.92 0.24 0.10 -4.91 118.33 116.22 1wlk n VAL 116 Ca 0.06 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1wlk n VAL 116 Cb 0.46 0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 33.15 1wlk n VAL 116 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wlk s SER 117 N -3.27 -0.54 -0.12 -1.34 1.04 -1.08 -5.01 113.70 103.38 1wlk s SER 117 Ca -0.03 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.10 1wlk s SER 117 Cb 0.09 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.88 1wlk s SER 117 CO 0.57 -0.40 0.04 0.00 0.98 0.00 0.00 173.24 174.42 1wlk s ALA 118 N -0.75 0.66 -0.16 5.32 0.00 -1.26 -1.51 121.76 124.06 1wlk s ALA 118 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1wlk s ALA 118 Cb -0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 1wlk s ALA 118 CO 0.04 -0.82 -0.13 -2.00 0.00 0.00 0.00 175.76 172.85 1wlk s GLU 119 N 2.00 3.27 -0.65 0.00 2.12 -0.66 -4.96 118.70 119.82 1wlk s GLU 119 Ca 0.03 -0.72 -0.28 0.00 0.36 0.00 0.00 54.97 54.36 1wlk s GLU 119 Cb -0.14 -2.70 0.03 0.00 0.26 0.00 0.00 34.13 31.57 1wlk s GLU 119 CO -0.06 -0.00 1.25 -1.14 -0.54 0.00 0.00 175.26 174.76 1wlk s GLN 120 N 0.89 3.35 0.00 4.30 0.74 -1.26 -1.01 119.66 126.67 1wlk s GLN 120 Ca -0.03 0.05 0.27 0.00 0.05 0.00 0.00 55.36 55.70 1wlk s GLN 120 Cb -0.15 -4.10 0.92 0.00 1.10 0.00 0.00 33.01 30.79 1wlk s GLN 120 CO -0.01 -1.91 1.67 0.25 -0.55 0.00 0.00 175.29 174.75 1wlk n THR 121 N 6.56 0.00 -1.62 -0.34 -2.24 -0.82 -5.00 114.28 110.82 1wlk n THR 121 Ca 0.06 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1wlk n THR 121 Cb 0.49 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1wlk n THR 121 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71