#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlk n LEU 2 N 0.00 3.70 -4.82 3.17 4.77 -1.00 -4.98 117.00 117.84 1wlk n LEU 2 Ca 0.00 1.21 -0.31 0.00 -0.03 0.00 0.00 56.01 56.88 1wlk n LEU 2 Cb 0.00 -1.50 0.05 0.00 -2.33 0.00 0.00 43.42 39.64 1wlk n LEU 2 CO 0.00 -0.39 0.71 -2.16 -1.33 0.00 0.00 177.39 174.22 1wlk s PRO 3 N -1.82 2.87 0.22 3.23 0.04 -1.26 -4.95 135.00 133.33 1wlk s PRO 3 Ca 0.56 0.88 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 1wlk s PRO 3 Cb -0.56 -1.99 0.33 0.00 0.04 0.00 0.00 34.50 32.33 1wlk s PRO 3 CO 0.62 -1.13 1.72 0.78 0.04 0.00 0.00 177.00 179.03 1wlk h GLY 4 N -0.74 0.88 2.00 0.56 0.00 -2.01 -1.52 103.07 102.24 1wlk h GLY 4 Ca -0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1wlk h GLY 4 CO 0.58 -0.09 -0.08 -0.84 0.00 0.00 0.00 176.54 176.10 1wlk h THR 5 N 0.33 1.04 -0.16 4.70 2.02 -1.99 -2.08 112.91 116.77 1wlk h THR 5 Ca 0.34 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1wlk h THR 5 Cb 0.49 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1wlk h THR 5 CO -0.39 0.08 0.01 0.15 0.37 0.00 0.00 175.52 175.75 1wlk h PHE 6 N 0.00 0.29 0.00 3.16 3.04 -1.66 -2.09 116.94 119.68 1wlk h PHE 6 Ca -0.00 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.86 1wlk h PHE 6 Cb 0.14 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1wlk h PHE 6 CO 0.00 0.46 -0.20 0.74 -2.02 0.00 0.00 178.31 177.29 1wlk h PHE 7 N 0.04 0.00 -0.41 0.41 0.04 -1.30 -2.13 116.94 113.58 1wlk h PHE 7 Ca 0.05 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 1wlk h PHE 7 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1wlk h PHE 7 CO 0.03 0.20 -0.07 0.93 -0.60 0.00 0.00 178.31 178.80 1wlk h GLU 8 N 0.00 0.78 -1.00 1.51 4.39 -1.07 -2.79 114.58 116.39 1wlk h GLU 8 Ca -0.00 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.45 1wlk h GLU 8 Cb 0.44 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 1wlk h GLU 8 CO 0.03 0.89 0.65 0.28 -1.16 0.00 0.00 179.01 179.70 1wlk h VAL 9 N 0.60 1.17 0.00 3.13 2.07 -0.75 -1.67 116.25 120.80 1wlk h VAL 9 Ca 0.11 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1wlk h VAL 9 Cb 0.58 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1wlk h VAL 9 CO 0.03 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.78 1wlk h LEU 10 N 1.26 0.00 -1.27 2.57 4.07 -1.17 -1.89 115.31 118.88 1wlk h LEU 10 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 1wlk h LEU 10 Cb 0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1wlk h LEU 10 CO -0.12 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.53 1wlk n LYS 11 N -2.79 1.82 -4.74 1.13 5.02 -0.63 -4.46 118.16 113.51 1wlk n LYS 11 Ca -0.02 -1.25 -0.25 0.00 -2.02 0.00 0.00 58.31 54.78 1wlk n LYS 11 Cb 0.11 -1.36 -0.15 0.00 -0.02 0.00 0.00 35.03 33.62 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 -1.35 2.24 0.49 4.39 0.01 -0.71 -5.10 114.94 114.91 1wlk s ASN 12 Ca 0.30 -0.42 -0.20 0.00 -0.71 0.00 0.00 52.86 51.82 1wlk s ASN 12 Cb 0.16 -0.21 -0.08 0.00 0.41 0.00 0.00 41.25 41.53 1wlk s ASN 12 CO 0.23 0.18 1.06 -0.70 -1.51 0.00 0.00 177.10 176.36 1wlk s GLU 13 N -0.81 3.72 -0.06 -0.60 2.56 -1.26 -4.57 118.70 117.68 1wlk s GLU 13 Ca 0.07 1.43 -0.31 0.00 0.00 0.00 0.00 54.97 56.16 1wlk s GLU 13 Cb -0.08 -2.10 0.11 0.00 2.00 0.00 0.00 34.13 34.06 1wlk s GLU 13 CO 0.00 -0.51 1.35 0.20 -0.56 0.00 0.00 175.26 175.75 1wlk s GLY 14 N -1.90 -0.30 -0.27 -1.50 0.00 -1.26 -4.93 107.32 97.16 1wlk s GLY 14 Ca 0.68 0.42 -0.11 0.00 0.00 0.00 0.00 44.72 45.71 1wlk s GLY 14 CO 0.22 3.73 0.18 0.14 0.00 0.00 0.00 173.10 177.37 1wlk s VAL 15 N -2.08 5.28 0.04 1.40 1.01 -1.26 -0.66 120.40 124.13 1wlk s VAL 15 Ca 0.24 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1wlk s VAL 15 Cb 0.03 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1wlk s VAL 15 CO -0.03 0.26 0.42 -0.69 0.00 0.00 0.00 175.10 175.06 1wlk s VAL 16 N 1.69 5.03 -0.03 2.92 1.01 0.58 -4.69 120.40 126.91 1wlk s VAL 16 Ca 0.07 0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.81 1wlk s VAL 16 Cb -0.16 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1wlk s VAL 16 CO 0.10 0.44 -0.22 0.00 0.00 0.00 0.00 175.10 175.42 1wlk s ALA 17 N -1.23 1.85 -0.15 5.51 0.00 -0.59 -1.88 121.76 125.27 1wlk s ALA 17 Ca 0.28 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1wlk s ALA 17 Cb -0.16 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1wlk s ALA 17 CO 0.16 0.41 -0.09 0.42 0.00 0.00 0.00 175.76 176.66 1wlk s ILE 18 N -0.35 1.29 -0.12 0.00 1.01 0.80 -1.68 121.20 122.15 1wlk s ILE 18 Ca 0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 1wlk s ILE 18 Cb -0.10 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1wlk s ILE 18 CO 0.01 0.29 0.06 0.00 0.00 0.00 0.00 174.94 175.29 1wlk s ALA 19 N 1.58 3.49 0.28 9.38 0.00 0.37 -1.47 121.76 135.38 1wlk s ALA 19 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1wlk s ALA 19 Cb -0.14 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 1wlk s ALA 19 CO -0.09 0.51 0.09 0.95 0.00 0.00 0.00 175.76 177.23 1wlk s THR 20 N -0.67 0.71 -0.28 0.00 -4.23 -0.66 -1.85 115.64 108.66 1wlk s THR 20 Ca 0.12 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.50 1wlk s THR 20 Cb -0.12 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1wlk s THR 20 CO 0.02 0.00 0.28 -1.58 -0.54 0.00 0.00 174.62 172.80 1wlk s GLN 21 N -4.00 3.94 0.48 3.99 2.00 -1.26 -1.46 119.66 123.35 1wlk s GLN 21 Ca 0.37 -0.18 0.06 0.00 -2.00 0.00 0.00 55.36 53.61 1wlk s GLN 21 Cb 0.08 -3.67 0.03 0.00 0.80 0.00 0.00 33.01 30.25 1wlk s GLN 21 CO 0.14 -0.25 0.67 0.20 -0.50 0.00 0.00 175.29 175.55 1wlk s GLY 22 N 1.71 1.89 0.37 2.59 0.00 0.26 -4.68 107.32 109.46 1wlk s GLY 22 Ca 0.11 -1.62 0.20 0.00 0.00 0.00 0.00 44.72 43.40 1wlk s GLY 22 CO 0.11 -1.37 1.63 0.83 0.00 0.00 0.00 173.10 174.30 1wlk h GLU 23 N 0.39 0.00 0.00 2.90 5.08 -1.98 -3.20 114.58 117.77 1wlk h GLU 23 Ca -0.39 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.69 1wlk h GLU 23 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1wlk h GLU 23 CO 0.46 0.31 -1.78 -0.40 -1.00 0.00 0.00 179.01 176.60 1wlk n ASP 24 N -3.27 0.71 0.00 1.42 5.68 -1.26 -5.07 116.55 114.75 1wlk n ASP 24 Ca 0.01 0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 1wlk n ASP 24 Cb 0.57 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1wlk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wlk n GLY 25 N 1.55 -0.59 3.80 6.12 0.00 -1.21 -5.15 105.19 109.72 1wlk n GLY 25 Ca -0.18 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.56 2.65 0.07 1.61 0.02 -1.26 0.92 135.00 137.46 1wlk s PRO 26 Ca 0.00 0.98 0.04 0.00 0.02 0.00 0.00 61.00 62.03 1wlk s PRO 26 Cb 0.00 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 1wlk s PRO 26 CO 0.00 -1.31 -0.10 -1.58 -0.33 0.00 0.00 177.00 173.67 1wlk s HIS 27 N -3.02 0.98 -0.04 6.54 2.46 -0.54 -4.70 115.29 116.97 1wlk s HIS 27 Ca 0.59 -0.56 -0.01 0.00 0.47 0.00 0.00 55.06 55.55 1wlk s HIS 27 Cb -0.15 -0.55 0.03 0.00 -0.13 0.00 0.00 32.58 31.78 1wlk s HIS 27 CO 0.55 -0.02 0.08 -1.17 -2.47 0.00 0.00 174.74 171.72 1wlk s LEU 28 N -1.99 0.85 0.31 8.88 2.96 -1.26 -1.66 118.68 126.78 1wlk s LEU 28 Ca -0.01 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1wlk s LEU 28 Cb -0.07 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 1wlk s LEU 28 CO 0.01 -0.15 0.15 0.68 -1.32 0.00 0.00 176.35 175.72 1wlk s VAL 29 N 1.21 0.38 0.29 1.68 -7.23 -0.54 -4.96 120.40 111.24 1wlk s VAL 29 Ca -0.08 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1wlk s VAL 29 Cb -0.12 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1wlk s VAL 29 CO -0.04 0.00 0.11 0.20 -0.31 0.00 0.00 175.10 175.06 1wlk s ASN 30 N -3.40 1.58 0.36 4.85 -0.87 -1.26 -0.14 114.94 116.06 1wlk s ASN 30 Ca 0.35 -1.45 -0.12 0.00 -1.57 0.00 0.00 52.86 50.07 1wlk s ASN 30 Cb 0.05 0.21 0.03 0.00 -0.02 0.00 0.00 41.25 41.53 1wlk s ASN 30 CO 0.17 -0.77 0.68 0.28 -2.57 0.00 0.00 177.10 174.89 1wlk s THR 31 N -3.61 0.00 -0.02 1.60 -1.32 -0.79 -4.97 115.64 106.54 1wlk s THR 31 Ca 0.36 -1.20 -0.01 0.00 -1.21 0.00 0.00 61.69 59.63 1wlk s THR 31 Cb 0.07 -2.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1wlk s THR 31 CO 0.15 0.00 0.08 0.26 -2.21 0.00 0.00 174.62 172.90 1wlk s TRP 32 N -2.75 3.31 0.26 9.09 0.52 -1.26 -0.31 118.94 127.80 1wlk s TRP 32 Ca 0.20 0.23 -0.04 0.00 0.02 0.00 0.00 56.10 56.52 1wlk s TRP 32 Cb -0.04 -1.76 0.53 0.00 -1.15 0.00 0.00 33.47 31.05 1wlk s TRP 32 CO 0.14 0.56 1.66 -0.91 0.02 0.00 0.00 176.95 178.41 1wlk h ASN 33 N 4.24 -0.11 0.49 2.95 4.21 -1.19 0.10 115.58 126.28 1wlk h ASN 33 Ca -0.50 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.19 1wlk h ASN 33 Cb 1.19 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.65 1wlk h ASN 33 CO 0.62 -0.12 0.00 -1.54 -1.29 0.00 0.00 177.43 175.10 1wlk n SER 34 N -5.24 0.45 0.09 5.81 3.41 -1.26 -2.64 113.62 114.24 1wlk n SER 34 Ca 0.16 0.63 0.05 0.00 -0.26 0.00 0.00 58.87 59.45 1wlk n SER 34 Cb 0.53 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -3.81 7.33 0.99 -1.17 -3.47 116.97 116.84 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 0.25 0.00 0.08 0.00 1.00 0.00 0.00 36.73 38.05 1wlk h TYR 35 CO 0.00 0.33 0.71 -0.51 -0.00 0.00 0.00 178.16 178.69 1wlk s LEU 36 N -5.79 4.38 -0.04 3.88 1.43 -1.08 -4.64 118.68 116.82 1wlk s LEU 36 Ca -0.00 2.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.94 1wlk s LEU 36 Cb 0.08 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1wlk s LEU 36 CO 0.78 -0.68 -0.14 -0.54 0.23 0.00 0.00 176.35 176.01 1wlk s LYS 37 N -1.65 1.55 -0.16 1.70 3.01 -0.91 -4.99 119.74 118.29 1wlk s LYS 37 Ca 0.52 -0.48 -0.03 0.00 -1.01 0.00 0.00 55.97 54.97 1wlk s LYS 37 Cb -0.42 -1.34 -0.02 0.00 -1.01 0.00 0.00 37.83 35.03 1wlk s LYS 37 CO 0.55 0.15 -0.04 0.08 0.51 0.00 0.00 175.35 176.59 1wlk s VAL 38 N 0.25 3.78 -0.18 3.17 1.01 -1.26 0.50 120.40 127.68 1wlk s VAL 38 Ca -0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1wlk s VAL 38 Cb -0.12 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1wlk s VAL 38 CO 0.02 0.49 -0.06 -0.76 0.00 0.00 0.00 175.10 174.78 1wlk s LEU 39 N 0.48 2.95 -1.46 3.92 1.43 0.10 -4.61 118.68 121.49 1wlk s LEU 39 Ca -0.04 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1wlk s LEU 39 Cb -0.14 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.39 1wlk s LEU 39 CO 0.03 0.08 0.79 -0.67 0.23 0.00 0.00 176.35 176.81 1wlk n ASP 40 N 4.13 -5.52 0.00 2.29 4.64 -1.26 -2.50 116.55 118.33 1wlk n ASP 40 Ca -0.18 -0.46 0.00 0.00 -1.38 0.00 0.00 54.79 52.78 1wlk n ASP 40 Cb 0.52 -4.43 0.00 0.00 -1.04 0.00 0.00 41.12 36.17 1wlk n ASP 40 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wlk n GLY 41 N -1.60 0.18 0.00 0.27 0.00 -1.26 -4.56 105.19 98.22 1wlk n GLY 41 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.10 -3.98 1.61 2.04 -1.19 -2.36 115.26 112.48 1wlk n ASN 42 Ca 0.00 -1.50 -0.30 0.00 -0.44 0.00 0.00 54.58 52.34 1wlk n ASN 42 Cb 0.00 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.09 1wlk n ASN 42 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1wlk s ARG 43 N -0.50 1.94 -0.21 -3.83 0.52 -1.04 -0.41 118.95 115.43 1wlk s ARG 43 Ca 0.00 -0.74 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 1wlk s ARG 43 Cb 0.00 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1wlk s ARG 43 CO 0.00 -0.41 0.34 0.42 0.02 0.00 0.00 175.30 175.68 1wlk s ILE 44 N 1.45 5.24 -0.15 1.52 1.01 0.07 0.02 121.20 130.35 1wlk s ILE 44 Ca -0.00 0.58 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 1wlk s ILE 44 Cb -0.16 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1wlk s ILE 44 CO -0.08 0.27 0.01 -0.69 0.00 0.00 0.00 174.94 174.45 1wlk s VAL 45 N 1.26 4.30 -0.10 2.92 1.01 0.18 -0.42 120.40 129.56 1wlk s VAL 45 Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1wlk s VAL 45 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1wlk s VAL 45 CO 0.07 0.50 -0.22 -0.69 0.00 0.00 0.00 175.10 174.76 1wlk s VAL 46 N 0.15 1.89 -0.02 2.92 1.01 0.15 -2.15 120.40 124.35 1wlk s VAL 46 Ca 0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1wlk s VAL 46 Cb -0.13 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 1wlk s VAL 46 CO 0.02 0.52 1.39 -2.16 0.00 0.00 0.00 175.10 174.87 1wlk s PRO 47 N 0.45 4.28 -0.25 2.72 0.04 -1.26 -0.97 135.00 140.00 1wlk s PRO 47 Ca -0.17 1.94 -0.09 0.00 0.04 0.00 0.00 61.00 62.71 1wlk s PRO 47 Cb -0.17 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 1wlk s PRO 47 CO 0.07 -0.59 0.13 0.08 0.04 0.00 0.00 177.00 176.73 1wlk s VAL 48 N 2.55 4.96 -0.12 -0.36 1.01 -0.29 -4.92 120.40 123.23 1wlk s VAL 48 Ca 0.63 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.54 1wlk s VAL 48 Cb -0.30 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1wlk s VAL 48 CO 0.26 0.32 -0.24 0.61 0.00 0.00 0.00 175.10 176.04 1wlk n GLY 49 N 4.67 -0.37 0.00 4.51 0.00 -1.26 0.12 105.19 112.86 1wlk n GLY 49 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.02 0.13 4.03 -0.02 0.00 -1.26 -4.66 105.19 105.43 1wlk n GLY 50 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.31 -0.05 1.61 2.00 -1.26 -4.90 117.12 112.21 1wlk n MET 51 Ca 0.00 0.31 -0.18 0.00 0.00 0.00 0.00 57.70 57.83 1wlk n MET 51 Cb 0.00 -4.11 -0.13 0.00 0.00 0.00 0.00 33.22 28.97 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 -1.88 0.15 -0.57 2.03 3.86 -1.98 -1.61 115.15 115.15 1wlk h HIS 52 Ca -0.65 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 58.38 1wlk h HIS 52 Cb 1.38 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.82 1wlk h HIS 52 CO 0.47 1.23 0.07 -0.22 0.86 0.00 0.00 177.93 180.35 1wlk h LYS 53 N -0.80 0.92 -0.26 2.45 1.63 -1.99 -1.55 116.57 116.98 1wlk h LYS 53 Ca -0.14 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1wlk h LYS 53 Cb 1.28 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 1wlk h LYS 53 CO -0.01 0.87 0.15 1.15 -3.45 0.00 0.00 179.45 178.16 1wlk h THR 54 N 0.87 1.10 -0.92 1.00 2.02 -1.95 -0.69 112.91 114.33 1wlk h THR 54 Ca 0.18 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1wlk h THR 54 Cb 0.41 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1wlk h THR 54 CO 0.01 0.09 0.57 -0.08 0.37 0.00 0.00 175.52 176.49 1wlk h GLU 55 N 0.32 1.24 -0.56 6.66 4.81 -0.96 -0.42 114.58 125.68 1wlk h GLU 55 Ca 0.09 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1wlk h GLU 55 Cb 0.02 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 1wlk h GLU 55 CO -0.02 0.85 0.08 0.00 -0.73 0.00 0.00 179.01 179.19 1wlk h ALA 56 N 1.36 0.75 -0.34 2.92 0.00 -0.89 -2.16 119.26 120.90 1wlk h ALA 56 Ca 0.33 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1wlk h ALA 56 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1wlk h ALA 56 CO -0.07 0.51 0.09 -0.91 0.00 0.00 0.00 179.25 178.87 1wlk h ASN 57 N 0.83 0.50 -0.27 0.00 2.35 -0.60 -2.61 115.58 115.79 1wlk h ASN 57 Ca 0.17 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1wlk h ASN 57 Cb 0.44 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1wlk h ASN 57 CO 0.01 0.59 0.18 0.58 -1.65 0.00 0.00 177.43 177.15 1wlk h VAL 58 N 0.39 0.98 -0.03 2.81 2.07 -0.94 0.17 116.25 121.70 1wlk h VAL 58 Ca 0.11 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1wlk h VAL 58 Cb 0.28 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1wlk h VAL 58 CO -0.00 0.04 -0.36 0.00 0.02 0.00 0.00 177.57 177.27 1wlk h ALA 59 N 1.85 1.34 0.08 1.67 0.00 -1.01 -2.90 119.26 120.29 1wlk h ALA 59 Ca 0.11 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 1wlk h ALA 59 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wlk h ALA 59 CO -0.02 0.48 -1.58 0.00 0.00 0.00 0.00 179.25 178.13 1wlk h ARG 60 N 0.06 0.16 -1.92 0.00 3.08 -0.86 -3.45 114.38 111.44 1wlk h ARG 60 Ca 0.00 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.66 1wlk h ARG 60 Cb 0.66 0.10 -0.29 0.00 0.08 0.00 0.00 29.97 30.53 1wlk h ARG 60 CO 0.05 0.95 -0.45 0.34 -1.07 0.00 0.00 179.97 179.79 1wlk s ASP 61 N -6.73 0.04 0.13 7.04 3.68 0.40 -5.04 116.67 116.19 1wlk s ASP 61 Ca -0.08 0.40 0.21 0.00 2.13 0.00 0.00 52.55 55.20 1wlk s ASP 61 Cb 0.07 1.23 0.85 0.00 -1.45 0.00 0.00 42.92 43.63 1wlk s ASP 61 CO 0.83 -0.29 1.65 -1.84 0.13 0.00 0.00 175.17 175.66 1wlk n GLU 62 N 5.37 0.11 -2.36 4.34 0.28 -1.11 -3.93 120.64 123.35 1wlk n GLU 62 Ca -0.04 0.29 -0.42 0.00 -0.16 0.00 0.00 57.16 56.82 1wlk n GLU 62 Cb 0.50 -1.68 -0.03 0.00 1.43 0.00 0.00 31.44 31.66 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 -3.14 4.32 0.20 3.44 0.52 -1.26 0.20 118.95 123.22 1wlk s ARG 63 Ca 0.07 1.80 0.02 0.00 -0.52 0.00 0.00 55.73 57.10 1wlk s ARG 63 Cb 0.11 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 1wlk s ARG 63 CO 0.38 -0.52 0.00 0.14 0.02 0.00 0.00 175.30 175.33 1wlk s VAL 64 N 2.37 0.81 0.03 3.52 -7.23 -0.38 -4.56 120.40 114.96 1wlk s VAL 64 Ca 0.59 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1wlk s VAL 64 Cb -0.27 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 1wlk s VAL 64 CO 0.23 -0.40 -0.19 -0.76 -0.31 0.00 0.00 175.10 173.68 1wlk s LEU 65 N -3.23 2.13 -0.02 1.32 1.43 -0.77 -2.43 118.68 117.11 1wlk s LEU 65 Ca 0.26 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1wlk s LEU 65 Cb 0.06 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.38 1wlk s LEU 65 CO 0.06 0.16 -0.04 -0.32 0.23 0.00 0.00 176.35 176.44 1wlk s MET 66 N -0.95 0.50 0.08 1.70 -2.45 0.23 -0.48 119.30 117.92 1wlk s MET 66 Ca 0.06 -0.11 0.07 0.00 -1.25 0.00 0.00 55.69 54.46 1wlk s MET 66 Cb -0.08 -0.53 -0.03 0.00 1.25 0.00 0.00 34.83 35.44 1wlk s MET 66 CO 0.01 0.01 -0.18 0.95 1.05 0.00 0.00 175.02 176.86 1wlk s THR 67 N 0.38 1.49 0.11 10.11 -4.23 -0.68 0.72 115.64 123.54 1wlk s THR 67 Ca -0.04 -1.35 -0.26 0.00 -1.18 0.00 0.00 61.69 58.86 1wlk s THR 67 Cb -0.08 -1.36 0.07 0.00 1.34 0.00 0.00 72.50 72.48 1wlk s THR 67 CO -0.00 -0.04 0.83 -1.48 -0.54 0.00 0.00 174.62 173.39 1wlk s LEU 68 N -1.62 -0.34 0.00 4.79 2.34 -1.11 -1.54 118.68 121.20 1wlk s LEU 68 Ca 0.04 -0.19 -0.07 0.00 0.06 0.00 0.00 54.13 53.97 1wlk s LEU 68 Cb -0.09 2.27 0.02 0.00 -0.56 0.00 0.00 46.19 47.83 1wlk s LEU 68 CO 0.03 -0.86 0.31 0.61 -1.06 0.00 0.00 176.35 175.37 1wlk n GLY 69 N -0.36 0.40 3.64 -3.48 0.00 -1.26 -0.97 105.19 103.15 1wlk n GLY 69 Ca -0.09 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.67 -0.65 0.47 1.61 0.15 -0.66 -4.77 113.70 108.17 1wlk s SER 70 Ca 0.07 1.16 0.29 0.00 0.70 0.00 0.00 55.95 58.17 1wlk s SER 70 Cb -0.00 1.21 1.00 0.00 -1.71 0.00 0.00 66.02 66.53 1wlk s SER 70 CO -0.00 -0.19 1.84 -0.09 1.20 0.00 0.00 173.24 175.99 1wlk h ARG 71 N 5.36 0.00 0.00 5.44 9.65 -1.93 -2.13 114.38 130.77 1wlk h ARG 71 Ca -0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1wlk h ARG 71 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1wlk h ARG 71 CO 0.12 0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.52 1wlk n LYS 72 N -2.96 0.71 -5.10 0.20 4.01 -1.26 -2.93 118.16 110.83 1wlk n LYS 72 Ca 0.02 0.01 -0.32 0.00 -0.51 0.00 0.00 58.31 57.51 1wlk n LYS 72 Cb 0.37 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 33.24 1wlk n LYS 72 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1wlk s VAL 73 N -2.25 2.45 0.07 -0.18 1.01 -1.15 -4.92 120.40 115.44 1wlk s VAL 73 Ca 0.37 -0.92 -0.34 0.00 0.00 0.00 0.00 61.98 61.10 1wlk s VAL 73 Cb 0.20 -1.93 -0.13 0.00 0.00 0.00 0.00 36.38 34.52 1wlk s VAL 73 CO 0.39 0.57 1.70 0.00 0.00 0.00 0.00 175.10 177.75 1wlk n ALA 74 N 2.94 1.23 -2.67 5.51 0.00 -1.26 -0.30 120.51 125.95 1wlk n ALA 74 Ca -0.18 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1wlk n ALA 74 Cb 0.52 -2.42 0.04 0.00 0.00 0.00 0.00 19.45 17.60 1wlk n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wlk n GLY 75 N 3.81 1.26 0.36 0.00 0.00 0.22 -4.65 105.19 106.18 1wlk n GLY 75 Ca 0.19 -2.07 -0.04 0.00 0.00 0.00 0.00 46.02 44.10 1wlk n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1wlk h ARG 76 N 0.00 1.27 0.00 1.61 2.43 -1.79 -3.28 114.38 114.62 1wlk h ARG 76 Ca -0.13 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1wlk h ARG 76 Cb 0.54 -0.25 -0.20 0.00 -0.42 0.00 0.00 29.97 29.64 1wlk h ARG 76 CO 0.16 0.91 -0.76 0.09 -1.51 0.00 0.00 179.97 178.87 1wlk n ASN 77 N -4.33 1.32 0.00 -3.80 4.13 -1.26 -5.11 115.26 106.20 1wlk n ASN 77 Ca 0.10 -2.86 0.00 0.00 1.68 0.00 0.00 54.58 53.50 1wlk n ASN 77 Cb 0.09 -0.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.93 1wlk n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wlk n GLY 78 N -0.27 0.81 3.73 7.41 0.00 -1.24 -5.11 105.19 110.53 1wlk n GLY 78 Ca 0.12 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1wlk n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wlk n PRO 79 N -1.37 2.71 0.00 1.61 -0.02 -1.26 0.68 135.00 137.36 1wlk n PRO 79 Ca 0.00 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1wlk n PRO 79 Cb 0.00 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 30.70 1wlk n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wlk n GLY 80 N 2.94 2.43 3.58 -1.23 0.00 0.58 -4.68 105.19 108.82 1wlk n GLY 80 Ca 0.12 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 0.04 2.61 -1.32 -0.81 -2.86 115.64 113.29 1wlk s THR 81 Ca 0.00 -1.42 -0.28 0.00 -1.21 0.00 0.00 61.69 58.78 1wlk s THR 81 Cb 0.00 -2.47 0.10 0.00 -1.51 0.00 0.00 72.50 68.62 1wlk s THR 81 CO 0.00 0.00 1.21 -0.83 -2.21 0.00 0.00 174.62 172.79 1wlk s GLY 82 N -3.11 -0.27 0.04 6.08 0.00 -1.24 -1.66 107.32 107.17 1wlk s GLY 82 Ca 0.25 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.33 1wlk s GLY 82 CO 0.14 1.43 -0.06 -1.36 0.00 0.00 0.00 173.10 173.25 1wlk s PHE 83 N -2.45 0.55 -0.23 1.90 0.40 -0.14 -1.89 117.98 116.11 1wlk s PHE 83 Ca 0.18 -0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 55.84 1wlk s PHE 83 Cb 0.02 -0.35 -0.00 0.00 0.51 0.00 0.00 43.02 43.20 1wlk s PHE 83 CO -0.01 -0.16 -0.02 -1.17 0.70 0.00 0.00 175.22 174.56 1wlk s LEU 84 N -1.89 3.08 -0.13 -0.37 2.96 -0.07 -2.74 118.68 119.53 1wlk s LEU 84 Ca -0.07 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.33 1wlk s LEU 84 Cb -0.06 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1wlk s LEU 84 CO -0.02 -0.06 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.29 1wlk s ILE 85 N 1.47 3.94 -0.09 6.68 -1.09 0.22 -1.19 121.20 131.15 1wlk s ILE 85 Ca 0.05 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 1wlk s ILE 85 Cb -0.15 -2.70 -0.00 0.00 -1.58 0.00 0.00 42.46 38.03 1wlk s ILE 85 CO -0.02 0.53 -0.24 -0.13 -1.23 0.00 0.00 174.94 173.85 1wlk s ARG 86 N -0.04 2.94 0.16 2.79 0.52 -0.46 -0.60 118.95 124.26 1wlk s ARG 86 Ca 0.02 -0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 54.22 1wlk s ARG 86 Cb -0.13 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.10 1wlk s ARG 86 CO 0.03 0.24 0.64 0.41 0.02 0.00 0.00 175.30 176.63 1wlk n GLY 87 N 3.37 0.96 3.62 -3.53 0.00 -1.02 -0.49 105.19 108.09 1wlk n GLY 87 Ca -0.19 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.56 5.04 0.10 1.61 1.04 -0.83 -1.24 113.70 116.87 1wlk s SER 88 Ca 0.14 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.66 1wlk s SER 88 Cb -0.02 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 1wlk s SER 88 CO 0.05 0.31 0.02 0.00 0.98 0.00 0.00 173.24 174.60 1wlk s ALA 89 N -0.49 3.34 -0.08 5.32 0.00 0.13 -0.98 121.76 128.99 1wlk s ALA 89 Ca 0.08 -1.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 1wlk s ALA 89 Cb -0.12 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.81 1wlk s ALA 89 CO 0.02 0.67 0.26 0.00 0.00 0.00 0.00 175.76 176.72 1wlk s ALA 90 N -1.39 -0.65 -0.18 0.00 0.00 -0.39 -4.77 121.76 114.38 1wlk s ALA 90 Ca 0.27 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 1wlk s ALA 90 Cb -0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1wlk s ALA 90 CO 0.19 -0.16 0.11 -0.06 0.00 0.00 0.00 175.76 175.85 1wlk s PHE 91 N -0.23 3.39 -0.05 0.00 0.40 -1.26 -0.39 117.98 119.84 1wlk s PHE 91 Ca -0.04 0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 1wlk s PHE 91 Cb -0.03 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.39 1wlk s PHE 91 CO 0.01 0.33 -0.20 1.03 0.70 0.00 0.00 175.22 177.08 1wlk s ARG 92 N 0.14 2.06 0.00 0.44 1.81 0.79 -4.93 118.95 119.26 1wlk s ARG 92 Ca 0.08 -0.73 0.10 0.00 -1.72 0.00 0.00 55.73 53.46 1wlk s ARG 92 Cb -0.11 -1.78 0.14 0.00 -0.45 0.00 0.00 34.95 32.74 1wlk s ARG 92 CO -0.01 0.31 0.94 0.25 -0.68 0.00 0.00 175.30 176.12 1wlk n THR 93 N 3.03 0.27 -3.72 0.02 -2.24 -1.26 -0.05 114.28 110.32 1wlk n THR 93 Ca -0.18 -0.63 -0.07 0.00 -2.27 0.00 0.00 64.05 60.90 1wlk n THR 93 Cb 0.53 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.91 -0.32 0.00 3.42 -4.77 -1.26 -4.99 116.67 107.84 1wlk s ASP 94 Ca 0.15 -0.39 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 1wlk s ASP 94 Cb 0.09 0.63 0.00 0.00 -1.09 0.00 0.00 42.92 42.55 1wlk s ASP 94 CO 0.14 -1.13 0.00 0.61 0.70 0.00 0.00 175.17 175.49 1wlk n GLY 95 N -0.43 0.64 0.26 2.12 0.00 -1.26 -4.21 105.19 102.31 1wlk n GLY 95 Ca -0.08 -2.10 0.07 0.00 0.00 0.00 0.00 46.02 43.91 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 0.09 -0.44 1.61 0.13 -2.02 -1.03 132.00 130.34 1wlk h PRO 96 Ca 0.00 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1wlk h PRO 96 Cb 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 1wlk h PRO 96 CO 0.00 0.11 -0.18 0.93 -0.23 0.00 0.00 178.00 178.63 1wlk h GLU 97 N 0.09 0.90 -0.24 0.86 5.08 -2.00 -1.38 114.58 117.89 1wlk h GLU 97 Ca 0.02 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1wlk h GLU 97 Cb 0.08 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wlk h GLU 97 CO 0.00 1.03 -0.18 0.35 -1.00 0.00 0.00 179.01 179.21 1wlk h PHE 98 N 0.73 0.64 -0.21 4.33 3.57 -1.60 -2.79 116.94 121.61 1wlk h PHE 98 Ca 0.10 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.48 1wlk h PHE 98 Cb 0.74 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1wlk h PHE 98 CO 0.05 0.85 0.17 0.93 -2.23 0.00 0.00 178.31 178.09 1wlk h GLU 99 N 0.25 0.00 -0.02 1.11 4.39 -1.08 -0.61 114.58 118.62 1wlk h GLU 99 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1wlk h GLU 99 Cb 0.72 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1wlk h GLU 99 CO 0.05 0.00 0.04 0.00 -1.16 0.00 0.00 179.01 177.93 1wlk h ALA 100 N 1.85 1.31 0.00 3.43 0.00 -0.96 -2.46 119.26 122.43 1wlk h ALA 100 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wlk h ALA 100 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wlk h ALA 100 CO -0.00 -0.04 -0.05 0.44 0.00 0.00 0.00 179.25 179.60 1wlk n ILE 101 N -3.45 0.90 0.23 0.00 -6.64 -0.28 -4.76 119.36 105.35 1wlk n ILE 101 Ca -0.03 -0.99 0.18 0.00 -1.77 0.00 0.00 62.75 60.14 1wlk n ILE 101 Cb 0.11 0.43 0.86 0.00 -1.44 0.00 0.00 39.64 39.61 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 1.69 -0.88 -1.28 0.00 -0.93 -0.38 119.26 117.49 1wlk h ALA 102 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1wlk h ALA 102 Cb 0.80 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1wlk h ALA 102 CO 0.00 -0.30 0.58 -0.09 0.00 0.00 0.00 179.25 179.44 1wlk h ARG 103 N 0.00 0.47 -6.27 0.00 1.12 -1.86 -3.31 114.38 104.53 1wlk h ARG 103 Ca 0.08 -0.03 -0.55 0.00 -1.11 0.00 0.00 59.98 58.36 1wlk h ARG 103 Cb 0.50 -0.11 -0.09 0.00 -0.01 0.00 0.00 29.97 30.27 1wlk h ARG 103 CO -0.00 0.31 1.07 -0.06 -3.11 0.00 0.00 179.97 178.18 1wlk s PHE 104 N -5.50 2.34 0.58 2.20 0.40 -0.15 -4.86 117.98 113.00 1wlk s PHE 104 Ca -0.09 -0.17 0.36 0.00 -0.60 0.00 0.00 56.93 56.43 1wlk s PHE 104 Cb 0.22 -4.61 2.01 0.00 0.51 0.00 0.00 43.02 41.15 1wlk s PHE 104 CO 0.78 -2.03 2.27 0.87 0.70 0.00 0.00 175.22 177.81 1wlk h LYS 105 N 9.97 0.00 -0.00 0.44 1.79 -1.85 -1.21 116.57 125.71 1wlk h LYS 105 Ca -0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1wlk h LYS 105 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1wlk h LYS 105 CO 1.29 0.01 -0.12 -2.67 -1.08 0.00 0.00 179.45 176.88 1wlk n TRP 106 N -3.50 0.00 -2.29 -1.35 4.27 -1.26 -4.86 117.44 108.45 1wlk n TRP 106 Ca -0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.15 1wlk n TRP 106 Cb 0.10 -0.23 -0.02 0.00 -1.36 0.00 0.00 31.31 29.80 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 -2.58 3.40 -0.44 -1.67 0.00 -0.46 -4.57 121.76 115.44 1wlk s ALA 107 Ca 0.26 0.35 0.23 0.00 0.00 0.00 0.00 51.96 52.80 1wlk s ALA 107 Cb 0.20 -3.77 0.30 0.00 0.00 0.00 0.00 23.12 19.85 1wlk s ALA 107 CO 0.50 -1.71 1.43 0.07 0.00 0.00 0.00 175.76 176.05 1wlk h ARG 108 N 9.62 0.00 -2.49 0.00 0.11 -0.59 -3.48 114.38 117.56 1wlk h ARG 108 Ca -0.30 0.00 0.16 0.00 0.10 0.00 0.00 59.98 59.94 1wlk h ARG 108 Cb 1.12 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.16 1wlk h ARG 108 CO 1.01 0.00 0.55 0.00 0.10 0.00 0.00 179.97 181.63 1wlk s ALA 109 N -3.24 -1.58 -0.09 0.08 0.00 -1.17 -4.81 121.76 110.95 1wlk s ALA 109 Ca 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.83 1wlk s ALA 109 Cb 0.08 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1wlk s ALA 109 CO 0.70 -1.06 -0.24 0.00 0.00 0.00 0.00 175.76 175.17 1wlk s ALA 110 N -2.45 2.13 -0.41 0.00 0.00 0.93 -1.14 121.76 120.82 1wlk s ALA 110 Ca 0.19 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 51.03 1wlk s ALA 110 Cb -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1wlk s ALA 110 CO 0.05 0.30 0.41 -1.17 0.00 0.00 0.00 175.76 175.34 1wlk s LEU 111 N 0.29 4.87 -0.22 0.00 2.96 -0.14 -0.14 118.68 126.30 1wlk s LEU 111 Ca -0.17 -0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 52.98 1wlk s LEU 111 Cb -0.17 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1wlk s LEU 111 CO 0.08 -0.54 0.08 -0.69 -1.32 0.00 0.00 176.35 173.97 1wlk s VAL 112 N 2.05 4.72 -0.29 1.68 1.01 0.47 -0.68 120.40 129.37 1wlk s VAL 112 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1wlk s VAL 112 Cb -0.17 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1wlk s VAL 112 CO 0.13 0.39 0.02 -0.63 0.00 0.00 0.00 175.10 175.01 1wlk s ILE 113 N 0.93 3.34 -0.47 2.22 1.01 0.44 -1.27 121.20 127.41 1wlk s ILE 113 Ca 0.04 -1.07 -0.24 0.00 0.00 0.00 0.00 60.65 59.39 1wlk s ILE 113 Cb -0.14 -2.80 0.03 0.00 0.01 0.00 0.00 42.46 39.56 1wlk s ILE 113 CO 0.03 0.01 0.87 -0.89 0.00 0.00 0.00 174.94 174.96 1wlk s THR 114 N 1.36 4.53 0.16 2.92 2.01 -0.16 -0.75 115.64 125.71 1wlk s THR 114 Ca -0.01 0.56 -0.31 0.00 0.31 0.00 0.00 61.69 62.23 1wlk s THR 114 Cb -0.18 -4.41 -0.09 0.00 0.01 0.00 0.00 72.50 67.83 1wlk s THR 114 CO -0.00 -0.83 1.48 -0.69 -0.69 0.00 0.00 174.62 173.88 1wlk s VAL 115 N 3.60 2.89 -0.26 3.82 1.01 0.46 -1.96 120.40 129.95 1wlk s VAL 115 Ca 0.33 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 1wlk s VAL 115 Cb -0.11 -3.42 -0.15 0.00 0.00 0.00 0.00 36.38 32.70 1wlk s VAL 115 CO 0.24 0.06 -0.27 0.52 0.00 0.00 0.00 175.10 175.65 1wlk n VAL 116 N 3.71 1.52 -3.75 2.92 0.31 0.35 -4.96 118.33 118.42 1wlk n VAL 116 Ca 0.12 -0.48 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 1wlk n VAL 116 Cb 0.40 -1.64 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 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 -6.98 -0.18 -0.06 4.52 1.04 -0.86 -5.02 113.70 106.17 1wlk s SER 117 Ca -0.36 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1wlk s SER 117 Cb 0.12 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1wlk s SER 117 CO 0.55 -0.51 -0.05 0.00 0.98 0.00 0.00 173.24 174.22 1wlk s ALA 118 N -1.76 0.79 -0.10 5.32 0.00 -1.26 -1.35 121.76 123.39 1wlk s ALA 118 Ca -0.10 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1wlk s ALA 118 Cb -0.04 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1wlk s ALA 118 CO 0.02 -0.12 -0.12 -2.00 0.00 0.00 0.00 175.76 173.53 1wlk s GLU 119 N 1.16 1.92 -0.51 0.00 2.12 -0.33 -4.97 118.70 118.10 1wlk s GLU 119 Ca -0.07 -0.45 -0.28 0.00 0.36 0.00 0.00 54.97 54.53 1wlk s GLU 119 Cb -0.14 -1.72 0.01 0.00 0.26 0.00 0.00 34.13 32.55 1wlk s GLU 119 CO -0.01 -0.11 1.41 -1.14 -0.54 0.00 0.00 175.26 174.87 1wlk s GLN 120 N 1.15 3.39 0.00 4.30 0.74 -1.26 -0.89 119.66 127.09 1wlk s GLN 120 Ca -0.04 0.63 0.21 0.00 0.05 0.00 0.00 55.36 56.20 1wlk s GLN 120 Cb -0.14 -4.09 0.55 0.00 1.10 0.00 0.00 33.01 30.43 1wlk s GLN 120 CO -0.03 -1.81 1.45 0.25 -0.55 0.00 0.00 175.29 174.60 1wlk n THR 121 N 6.95 0.42 -1.97 -0.34 -2.24 -0.79 -4.99 114.28 111.31 1wlk n THR 121 Ca 0.14 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1wlk n THR 121 Cb 0.49 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1wlk n THR 121 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71