#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh2 n SER 2 N 0.00 -0.47 -3.85 1.61 7.64 -1.26 -4.94 113.62 112.36 1wh2 n SER 2 Ca 0.00 -1.10 -0.09 0.00 1.01 0.00 0.00 58.87 58.69 1wh2 n SER 2 Cb 0.00 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 61.80 1wh2 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh2 s SER 3 N -4.06 -0.19 0.00 6.43 0.01 -1.26 -5.14 113.70 109.50 1wh2 s SER 3 Ca 0.13 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1wh2 s SER 3 Cb -0.07 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.75 1wh2 s SER 3 CO 0.85 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1wh2 n GLY 4 N -0.36 -1.22 2.82 3.44 0.00 -1.26 -5.02 105.19 103.59 1wh2 n GLY 4 Ca -0.07 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 1wh2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh2 s SER 5 N -4.00 0.01 -0.48 1.61 0.15 -1.26 -5.12 113.70 104.62 1wh2 s SER 5 Ca 0.00 0.10 -0.24 0.00 0.70 0.00 0.00 55.95 56.52 1wh2 s SER 5 Cb 0.00 0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1wh2 s SER 5 CO 0.00 -0.12 0.85 -0.94 1.20 0.00 0.00 173.24 174.24 1wh2 s SER 6 N 0.96 6.41 0.00 5.45 1.04 -1.26 -4.70 113.70 121.59 1wh2 s SER 6 Ca -0.08 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1wh2 s SER 6 Cb -0.11 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1wh2 s SER 6 CO -0.03 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.77 1wh2 n GLY 7 N 5.02 -1.69 2.33 7.32 0.00 -1.26 -5.03 105.19 111.87 1wh2 n GLY 7 Ca 0.03 0.71 -0.26 0.00 0.00 0.00 0.00 46.02 46.50 1wh2 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wh2 n VAL 8 N 0.00 3.27 -1.76 1.61 0.24 -1.26 -4.94 118.33 115.49 1wh2 n VAL 8 Ca 0.00 -1.88 -0.39 0.00 -2.04 0.00 0.00 64.34 60.03 1wh2 n VAL 8 Cb 0.00 -2.28 0.04 0.00 -1.47 0.00 0.00 33.84 30.13 1wh2 n VAL 8 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wh2 s ARG 9 N 2.27 3.25 0.50 7.34 1.81 -1.26 -5.01 118.95 127.84 1wh2 s ARG 9 Ca 0.57 2.32 -0.18 0.00 -1.72 0.00 0.00 55.73 56.72 1wh2 s ARG 9 Cb 0.18 -2.35 -0.08 0.00 -0.45 0.00 0.00 34.95 32.24 1wh2 s ARG 9 CO -0.04 -1.13 0.98 0.54 -0.68 0.00 0.00 175.30 174.98 1wh2 s VAL 10 N -1.26 4.44 -0.44 3.52 0.11 -1.26 -5.06 120.40 120.45 1wh2 s VAL 10 Ca 0.69 1.26 0.06 0.00 -2.93 0.00 0.00 61.98 61.06 1wh2 s VAL 10 Cb -0.42 -3.67 0.18 0.00 -1.53 0.00 0.00 36.38 30.94 1wh2 s VAL 10 CO 0.51 -0.59 0.58 -1.48 -3.33 0.00 0.00 175.10 170.80 1wh2 s LEU 11 N -3.88 -0.96 0.14 2.54 2.34 -1.26 -5.12 118.68 112.48 1wh2 s LEU 11 Ca 0.60 -1.44 -0.30 0.00 0.06 0.00 0.00 54.13 53.05 1wh2 s LEU 11 Cb -0.10 1.45 -0.07 0.00 -0.56 0.00 0.00 46.19 46.91 1wh2 s LEU 11 CO 0.27 -0.15 1.15 -0.55 -1.06 0.00 0.00 176.35 176.01 1wh2 s SER 12 N 1.31 7.16 -0.36 1.48 0.15 -1.26 -4.97 113.70 117.21 1wh2 s SER 12 Ca 0.22 2.10 -0.28 0.00 0.70 0.00 0.00 55.95 58.69 1wh2 s SER 12 Cb -0.05 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 1wh2 s SER 12 CO -0.06 -0.33 1.89 -0.31 1.20 0.00 0.00 173.24 175.63 1wh2 s TYR 13 N 0.20 1.67 -0.62 3.44 1.51 -1.26 -4.90 117.35 117.38 1wh2 s TYR 13 Ca 0.53 0.69 -0.26 0.00 -1.01 0.00 0.00 57.07 57.01 1wh2 s TYR 13 Cb -0.30 -4.07 -0.02 0.00 -0.11 0.00 0.00 41.96 37.46 1wh2 s TYR 13 CO 0.34 -2.98 1.84 -0.51 -1.11 0.00 0.00 175.55 173.12 1wh2 s ASP 14 N 6.97 5.31 -0.17 2.29 1.01 -1.26 -4.81 116.67 126.01 1wh2 s ASP 14 Ca 0.82 0.29 0.14 0.00 0.71 0.00 0.00 52.55 54.51 1wh2 s ASP 14 Cb -0.22 -2.53 -0.24 0.00 1.01 0.00 0.00 42.92 40.94 1wh2 s ASP 14 CO 0.32 -2.36 0.18 2.29 0.21 0.00 0.00 175.17 175.81 1wh2 n LYS 15 N 9.20 0.67 0.00 8.23 2.85 -1.26 -4.31 118.16 133.54 1wh2 n LYS 15 Ca 0.20 0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.66 1wh2 n LYS 15 Cb 0.52 -1.59 0.05 0.00 -0.65 0.00 0.00 35.03 33.35 1wh2 n LYS 15 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wh2 n GLU 16 N -2.91 1.73 -4.64 -1.58 0.28 -1.26 -1.46 120.64 110.79 1wh2 n GLU 16 Ca -0.31 -1.41 -0.26 0.00 -0.16 0.00 0.00 57.16 55.02 1wh2 n GLU 16 Cb 1.11 -1.44 -0.14 0.00 1.43 0.00 0.00 31.44 32.40 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1wh2 s LYS 17 N -2.13 1.43 -0.67 3.44 -2.85 -1.26 -4.94 119.74 112.75 1wh2 s LYS 17 Ca 0.22 -1.00 -0.26 0.00 -1.00 0.00 0.00 55.97 53.93 1wh2 s LYS 17 Cb 0.18 -1.58 -0.06 0.00 -2.06 0.00 0.00 37.83 34.32 1wh2 s LYS 17 CO 0.41 0.40 2.10 -0.51 0.10 0.00 0.00 175.35 177.85 1wh2 s LEU 18 N -1.28 3.23 0.00 2.77 1.02 -1.26 -3.67 118.68 119.49 1wh2 s LEU 18 Ca 0.08 0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.48 1wh2 s LEU 18 Cb -0.09 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.59 1wh2 s LEU 18 CO 0.02 -2.81 0.18 0.59 0.02 0.00 0.00 176.35 174.35 1wh2 n ASN 19 N 14.69 0.21 -3.98 2.29 4.13 -0.49 -4.54 115.26 127.56 1wh2 n ASN 19 Ca 0.33 -1.03 -0.24 0.00 1.68 0.00 0.00 54.58 55.31 1wh2 n ASN 19 Cb 0.50 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.58 1wh2 n ASN 19 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1wh2 s TRP 20 N -0.03 1.36 0.22 3.10 0.52 -0.42 -1.30 118.94 122.38 1wh2 s TRP 20 Ca 0.00 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.65 1wh2 s TRP 20 Cb 0.00 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.24 1wh2 s TRP 20 CO 0.00 -0.31 0.21 -0.51 0.02 0.00 0.00 176.95 176.36 1wh2 s LEU 21 N 0.93 3.93 0.20 2.99 1.43 0.42 -0.33 118.68 128.25 1wh2 s LEU 21 Ca -0.10 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1wh2 s LEU 21 Cb -0.15 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 1wh2 s LEU 21 CO 0.01 -0.01 0.36 -0.72 0.23 0.00 0.00 176.35 176.22 1wh2 s TYR 22 N -1.98 0.41 -0.30 0.29 -0.85 -1.26 -1.80 117.35 111.87 1wh2 s TYR 22 Ca 0.33 -0.76 -0.06 0.00 -0.52 0.00 0.00 57.07 56.05 1wh2 s TYR 22 Cb -0.09 0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.29 1wh2 s TYR 22 CO 0.25 -0.83 0.07 0.21 -1.52 0.00 0.00 175.55 173.74 1wh2 s LYS 23 N -4.00 3.02 0.80 -3.49 2.20 -1.26 -3.22 119.74 113.80 1wh2 s LYS 23 Ca 0.21 -0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 54.80 1wh2 s LYS 23 Cb 0.02 -3.36 0.07 0.00 -1.51 0.00 0.00 37.83 33.05 1wh2 s LYS 23 CO 0.04 -0.46 1.11 0.34 -0.36 0.00 0.00 175.35 176.02 1wh2 s ASP 24 N 1.48 4.54 0.00 1.43 -1.08 -1.10 -4.94 116.67 116.99 1wh2 s ASP 24 Ca 0.02 1.18 0.23 0.00 -0.52 0.00 0.00 52.55 53.46 1wh2 s ASP 24 Cb -0.17 -1.89 1.21 0.00 -1.46 0.00 0.00 42.92 40.61 1wh2 s ASP 24 CO 0.02 -1.93 1.75 -0.81 0.52 0.00 0.00 175.17 174.72 1wh2 n PRO 25 N -3.39 0.43 0.27 4.34 -0.04 -1.26 -0.91 135.00 134.45 1wh2 n PRO 25 Ca 0.07 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.73 1wh2 n PRO 25 Cb 0.57 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.31 1wh2 n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1wh2 h GLN 26 N 0.00 0.00 -0.79 0.54 4.20 -2.04 -3.47 115.11 113.55 1wh2 h GLN 26 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1wh2 h GLN 26 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1wh2 h GLN 26 CO 0.00 0.09 -0.13 0.41 -0.67 0.00 0.00 178.83 178.53 1wh2 n GLY 27 N -0.64 0.19 3.92 3.46 0.00 -0.08 -5.08 105.19 106.96 1wh2 n GLY 27 Ca -0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 1wh2 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh2 s LEU 28 N -1.49 3.69 -0.51 0.99 2.01 -1.26 -4.99 118.68 117.12 1wh2 s LEU 28 Ca 0.01 -0.43 0.01 0.00 0.01 0.00 0.00 54.13 53.74 1wh2 s LEU 28 Cb -0.00 -2.41 0.13 0.00 0.01 0.00 0.00 46.19 43.91 1wh2 s LEU 28 CO 0.01 -0.47 0.28 -0.69 1.01 0.00 0.00 176.35 176.49 1wh2 s VAL 29 N -2.29 2.94 1.21 -1.59 1.01 -1.26 -2.72 120.40 117.69 1wh2 s VAL 29 Ca 0.45 -2.95 -0.19 0.00 0.00 0.00 0.00 61.98 59.29 1wh2 s VAL 29 Cb -0.07 -3.01 0.29 0.00 0.00 0.00 0.00 36.38 33.59 1wh2 s VAL 29 CO 0.29 -0.78 1.07 -1.10 0.00 0.00 0.00 175.10 174.58 1wh2 s GLN 30 N 0.09 -1.30 1.02 2.72 -1.52 -1.20 -4.94 119.66 114.53 1wh2 s GLN 30 Ca 0.15 0.09 0.00 0.00 -1.95 0.00 0.00 55.36 53.65 1wh2 s GLN 30 Cb -0.23 -1.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.99 1wh2 s GLN 30 CO -0.03 -3.80 0.00 0.41 -0.25 0.00 0.00 175.29 171.63 1wh2 n GLY 31 N -0.47 -1.71 3.76 3.09 0.00 -1.26 -4.18 105.19 104.42 1wh2 n GLY 31 Ca 0.11 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1wh2 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh2 s PRO 32 N 0.00 0.91 0.06 1.61 0.04 -1.26 -5.07 135.00 131.29 1wh2 s PRO 32 Ca 0.00 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.37 1wh2 s PRO 32 Cb 0.00 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1wh2 s PRO 32 CO 0.00 -2.36 -0.09 -0.06 0.04 0.00 0.00 177.00 174.54 1wh2 s PHE 33 N -3.22 0.80 0.36 0.56 0.08 0.56 -4.67 117.98 112.44 1wh2 s PHE 33 Ca 0.64 -0.57 -0.25 0.00 0.12 0.00 0.00 56.93 56.87 1wh2 s PHE 33 Cb -0.15 -0.47 -0.09 0.00 -0.57 0.00 0.00 43.02 41.74 1wh2 s PHE 33 CO 0.54 -0.07 1.03 -1.54 -0.10 0.00 0.00 175.22 175.08 1wh2 s SER 34 N -1.89 7.00 0.43 1.36 1.04 -1.24 -1.30 113.70 119.10 1wh2 s SER 34 Ca -0.05 2.02 0.11 0.00 0.48 0.00 0.00 55.95 58.52 1wh2 s SER 34 Cb -0.07 -2.59 0.98 0.00 0.10 0.00 0.00 66.02 64.44 1wh2 s SER 34 CO -0.00 -0.32 2.03 -0.07 0.98 0.00 0.00 173.24 175.85 1wh2 h LEU 35 N 2.89 0.38 -0.68 2.42 3.38 -1.44 -0.97 115.31 121.29 1wh2 h LEU 35 Ca -0.48 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.35 1wh2 h LEU 35 Cb 1.21 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1wh2 h LEU 35 CO 0.64 0.25 -0.52 0.74 0.09 0.00 0.00 178.44 179.64 1wh2 h THR 36 N 0.44 1.34 -0.05 0.22 2.02 -1.84 0.21 112.91 115.25 1wh2 h THR 36 Ca 0.20 -1.77 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1wh2 h THR 36 Cb 0.26 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1wh2 h THR 36 CO -0.05 0.54 -0.01 1.56 0.37 0.00 0.00 175.52 177.93 1wh2 h GLN 37 N 0.30 0.09 -0.91 6.66 4.20 -1.59 -1.48 115.11 122.38 1wh2 h GLN 37 Ca 0.01 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1wh2 h GLN 37 Cb 1.01 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 1wh2 h GLN 37 CO 0.09 0.42 0.59 -0.07 -0.67 0.00 0.00 178.83 179.18 1wh2 h LEU 38 N -0.25 0.96 -0.04 1.46 3.38 -1.00 -1.29 115.31 118.54 1wh2 h LEU 38 Ca 0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wh2 h LEU 38 Cb 0.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1wh2 h LEU 38 CO 0.00 0.64 0.02 0.50 0.09 0.00 0.00 178.44 179.70 1wh2 h LYS 39 N 1.11 0.05 -0.93 1.13 3.64 -0.54 -0.04 116.57 121.00 1wh2 h LYS 39 Ca 0.37 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 1wh2 h LYS 39 Cb 0.06 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 1wh2 h LYS 39 CO -0.14 0.04 0.58 0.00 -2.27 0.00 0.00 179.45 177.67 1wh2 h ALA 40 N 1.00 1.30 -0.31 5.00 0.00 -0.41 0.12 119.26 125.97 1wh2 h ALA 40 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1wh2 h ALA 40 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1wh2 h ALA 40 CO -0.00 0.32 -0.45 -1.49 0.00 0.00 0.00 179.25 177.63 1wh2 h TRP 41 N 1.04 0.97 -0.40 0.00 6.55 -1.05 -1.57 115.95 121.48 1wh2 h TRP 41 Ca 0.41 -0.31 0.04 0.00 0.95 0.00 0.00 58.89 59.99 1wh2 h TRP 41 Cb 0.22 -0.20 -0.04 0.00 -0.86 0.00 0.00 29.16 28.28 1wh2 h TRP 41 CO -0.02 1.10 0.15 0.77 -1.05 0.00 0.00 178.44 179.39 1wh2 h SER 42 N 0.64 0.18 0.56 -3.49 0.02 -0.28 -0.95 113.55 110.23 1wh2 h SER 42 Ca 0.04 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1wh2 h SER 42 Cb 1.02 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1wh2 h SER 42 CO 0.10 0.14 0.00 0.44 -1.14 0.00 0.00 176.83 176.37 1wh2 h ASP 43 N 0.32 0.00 -0.59 3.07 5.19 -0.62 -0.02 116.42 123.76 1wh2 h ASP 43 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1wh2 h ASP 43 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1wh2 h ASP 43 CO -0.17 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 175.95 1wh2 n ALA 44 N -1.94 2.58 -1.84 3.45 0.00 -0.61 -4.98 120.51 117.16 1wh2 n ALA 44 Ca -0.00 -1.42 -0.20 0.00 0.00 0.00 0.00 53.44 51.82 1wh2 n ALA 44 Cb 0.19 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 1wh2 n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wh2 n GLU 45 N 1.09 -1.44 0.00 0.00 1.02 -0.02 -4.88 120.64 116.41 1wh2 n GLU 45 Ca 0.22 1.12 0.12 0.00 -0.02 0.00 0.00 57.16 58.59 1wh2 n GLU 45 Cb 0.67 -5.54 0.71 0.00 -0.02 0.00 0.00 31.44 27.26 1wh2 n GLU 45 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wh2 n TYR 46 N -2.95 0.00 -4.16 -0.32 4.01 -0.55 -4.86 117.16 108.33 1wh2 n TYR 46 Ca -0.21 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.40 1wh2 n TYR 46 Cb 0.66 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.54 1wh2 n TYR 46 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1wh2 s PHE 47 N -2.08 0.96 0.46 -0.72 0.08 -1.26 -4.98 117.98 110.43 1wh2 s PHE 47 Ca 0.35 -0.70 -0.20 0.00 0.12 0.00 0.00 56.93 56.51 1wh2 s PHE 47 Cb 0.17 -0.53 -0.10 0.00 -0.57 0.00 0.00 43.02 41.98 1wh2 s PHE 47 CO 0.29 -0.05 0.97 0.95 -0.10 0.00 0.00 175.22 177.28 1wh2 s THR 48 N -2.58 4.37 -1.61 0.64 -4.23 -1.26 -4.92 115.64 106.05 1wh2 s THR 48 Ca 0.05 1.37 0.08 0.00 -1.18 0.00 0.00 61.69 62.01 1wh2 s THR 48 Cb -0.02 -3.62 0.18 0.00 1.34 0.00 0.00 72.50 70.38 1wh2 s THR 48 CO -0.01 -0.42 1.08 1.17 -0.54 0.00 0.00 174.62 175.90 1wh2 n LYS 49 N -0.95 0.17 -3.20 3.99 4.81 -1.26 -0.82 118.16 120.89 1wh2 n LYS 49 Ca 0.07 0.14 -0.24 0.00 -0.87 0.00 0.00 58.31 57.41 1wh2 n LYS 49 Cb 0.54 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 34.02 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1wh2 n GLN 50 N -1.20 0.67 -2.34 1.64 6.02 -1.26 -5.10 117.38 115.82 1wh2 n GLN 50 Ca 0.05 -3.21 -0.43 0.00 -0.01 0.00 0.00 57.00 53.40 1wh2 n GLN 50 Cb 0.05 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1wh2 s PHE 51 N -1.08 2.60 0.26 1.08 5.36 0.00 -5.00 117.98 121.19 1wh2 s PHE 51 Ca 0.35 0.82 -0.02 0.00 -0.96 0.00 0.00 56.93 57.12 1wh2 s PHE 51 Cb 0.16 -3.76 -0.04 0.00 -0.34 0.00 0.00 43.02 39.04 1wh2 s PHE 51 CO -0.12 -2.07 0.47 1.03 -1.46 0.00 0.00 175.22 173.07 1wh2 s ARG 52 N 3.98 3.55 0.06 10.12 3.00 -1.26 -1.77 118.95 136.62 1wh2 s ARG 52 Ca 0.59 -0.24 0.00 0.00 0.00 0.00 0.00 55.73 56.09 1wh2 s ARG 52 Cb -0.21 -2.75 -0.03 0.00 0.00 0.00 0.00 34.95 31.96 1wh2 s ARG 52 CO 0.21 0.30 -0.05 0.14 0.00 0.00 0.00 175.30 175.90 1wh2 s VAL 53 N -2.02 0.38 0.16 3.52 -7.23 -0.07 -4.67 120.40 110.47 1wh2 s VAL 53 Ca 0.40 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 59.10 1wh2 s VAL 53 Cb -0.11 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 1wh2 s VAL 53 CO 0.30 -0.75 -0.12 -1.66 -0.31 0.00 0.00 175.10 172.56 1wh2 s TRP 54 N -2.89 1.42 0.89 2.82 -2.14 -0.74 -0.50 118.94 117.79 1wh2 s TRP 54 Ca 0.01 -0.66 -0.12 0.00 2.66 0.00 0.00 56.10 57.98 1wh2 s TRP 54 Cb 0.00 -0.70 0.12 0.00 -3.10 0.00 0.00 33.47 29.79 1wh2 s TRP 54 CO -0.05 0.18 1.10 -1.64 -2.66 0.00 0.00 176.95 173.88 1wh2 s MET 55 N -3.52 1.35 0.55 3.25 -1.94 -1.26 -0.44 119.30 117.29 1wh2 s MET 55 Ca 0.17 0.68 -0.22 0.00 -1.71 0.00 0.00 55.69 54.62 1wh2 s MET 55 Cb 0.00 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 34.96 1wh2 s MET 55 CO 0.03 -2.14 1.34 0.95 -0.01 0.00 0.00 175.02 175.18 1wh2 s THR 56 N -3.03 2.15 0.00 2.05 -4.23 -0.42 -2.77 115.64 109.39 1wh2 s THR 56 Ca 0.63 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.25 1wh2 s THR 56 Cb -0.17 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1wh2 s THR 56 CO 0.56 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 1wh2 n GLY 57 N 0.71 1.19 3.63 3.99 0.00 -1.26 -4.98 105.19 108.47 1wh2 n GLY 57 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1wh2 n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wh2 n GLU 58 N 0.00 -0.92 -2.52 1.61 -0.58 -1.12 -5.03 120.64 112.10 1wh2 n GLU 58 Ca 0.00 -0.21 -0.28 0.00 -0.42 0.00 0.00 57.16 56.25 1wh2 n GLU 58 Cb 0.00 -2.33 0.00 0.00 -0.57 0.00 0.00 31.44 28.54 1wh2 n GLU 58 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wh2 s SER 59 N -2.59 6.17 0.36 1.62 0.15 -1.26 -4.88 113.70 113.28 1wh2 s SER 59 Ca 0.67 0.96 0.19 0.00 0.70 0.00 0.00 55.95 58.47 1wh2 s SER 59 Cb -0.24 -2.21 0.59 0.00 -1.71 0.00 0.00 66.02 62.46 1wh2 s SER 59 CO 0.60 -0.67 1.69 -0.03 1.20 0.00 0.00 173.24 176.02 1wh2 h MET 60 N 0.11 0.00 0.00 5.44 4.05 -1.96 -0.20 114.93 122.37 1wh2 h MET 60 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1wh2 h MET 60 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1wh2 h MET 60 CO 0.62 0.38 0.00 0.39 0.23 0.00 0.00 176.91 178.53 1wh2 n GLU 61 N -3.45 0.05 -0.39 0.39 1.02 -1.26 -1.57 120.64 115.43 1wh2 n GLU 61 Ca 0.00 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 1wh2 n GLU 61 Cb 0.54 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.74 1wh2 n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wh2 n SER 62 N -1.43 3.87 -4.69 1.62 2.88 -0.10 -5.03 113.62 110.75 1wh2 n SER 62 Ca 0.03 -2.23 -0.29 0.00 -1.33 0.00 0.00 58.87 55.06 1wh2 n SER 62 Cb 0.11 -0.44 0.16 0.00 -0.75 0.00 0.00 64.21 63.29 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh2 s ALA 63 N -1.42 1.21 0.15 -1.46 0.00 -0.61 -4.79 121.76 114.85 1wh2 s ALA 63 Ca 0.41 -0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1wh2 s ALA 63 Cb 0.24 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1wh2 s ALA 63 CO 0.23 -2.63 -0.02 0.14 0.00 0.00 0.00 175.76 173.48 1wh2 s VAL 64 N -2.91 0.71 -0.06 0.00 -7.23 0.34 -4.94 120.40 106.31 1wh2 s VAL 64 Ca 0.64 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1wh2 s VAL 64 Cb -0.19 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1wh2 s VAL 64 CO 0.58 -0.60 1.29 -0.76 -0.31 0.00 0.00 175.10 175.30 1wh2 s LEU 65 N -3.14 4.27 0.47 1.32 1.43 -1.26 -0.89 118.68 120.89 1wh2 s LEU 65 Ca 0.20 1.90 0.25 0.00 -1.03 0.00 0.00 54.13 55.45 1wh2 s LEU 65 Cb 0.06 -3.55 1.29 0.00 0.03 0.00 0.00 46.19 44.02 1wh2 s LEU 65 CO 0.01 -0.68 1.84 0.25 0.23 0.00 0.00 176.35 178.01 1wh2 h LEU 66 N 8.65 0.22 -0.89 1.79 5.85 -1.67 -1.93 115.31 127.32 1wh2 h LEU 66 Ca -0.34 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 1wh2 h LEU 66 Cb 1.15 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1wh2 h LEU 66 CO 0.91 0.06 -0.48 0.71 -0.34 0.00 0.00 178.44 179.31 1wh2 h THR 67 N 0.20 1.14 -0.09 1.05 1.35 -1.91 0.17 112.91 114.82 1wh2 h THR 67 Ca 0.50 -1.75 -0.05 0.00 -0.55 0.00 0.00 66.41 64.56 1wh2 h THR 67 Cb 1.59 2.00 -0.00 0.00 -1.73 0.00 0.00 68.15 70.01 1wh2 h THR 67 CO -0.12 0.47 -0.14 -0.78 -0.25 0.00 0.00 175.52 174.70 1wh2 h ASP 68 N 0.00 0.27 -0.04 5.36 1.82 -1.76 -3.12 116.42 118.95 1wh2 h ASP 68 Ca -0.00 -0.53 -0.02 0.00 -0.39 0.00 0.00 57.03 56.08 1wh2 h ASP 68 Cb 0.96 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1wh2 h ASP 68 CO 0.06 0.75 -0.02 0.58 -1.61 0.00 0.00 179.24 179.00 1wh2 h VAL 69 N -0.20 1.11 -0.70 2.25 2.07 -1.25 -0.92 116.25 118.61 1wh2 h VAL 69 Ca 0.01 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.18 1wh2 h VAL 69 Cb 0.70 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 1wh2 h VAL 69 CO 0.03 0.14 0.39 -0.07 0.02 0.00 0.00 177.57 178.07 1wh2 h LEU 70 N 0.19 0.56 0.26 2.57 4.07 -0.62 -0.67 115.31 121.67 1wh2 h LEU 70 Ca 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 1wh2 h LEU 70 Cb 0.17 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1wh2 h LEU 70 CO 0.01 0.36 -0.12 -0.09 -1.08 0.00 0.00 178.44 177.51 1wh2 h ARG 71 N 0.70 -0.33 -0.20 1.13 2.43 -1.30 -3.36 114.38 113.44 1wh2 h ARG 71 Ca 0.32 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1wh2 h ARG 71 Cb 0.22 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1wh2 h ARG 71 CO -0.20 0.02 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.14 1wh2 h LEU 72 N -0.78 0.28 -4.40 3.80 3.38 -0.85 -3.23 115.31 113.51 1wh2 h LEU 72 Ca -0.04 -0.05 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 1wh2 h LEU 72 Cb 0.51 -0.07 -0.20 0.00 0.09 0.00 0.00 40.66 40.98 1wh2 h LEU 72 CO 0.06 0.39 0.58 -1.20 0.09 0.00 0.00 178.44 178.36 1wh2 n SER 73 N -4.30 6.81 0.00 -0.43 7.64 -0.29 -4.81 113.62 118.24 1wh2 n SER 73 Ca -0.00 -3.37 0.00 0.00 1.01 0.00 0.00 58.87 56.51 1wh2 n SER 73 Cb 0.24 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1wh2 n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh2 n GLY 74 N 0.32 -1.92 3.77 0.23 0.00 -1.22 -5.00 105.19 101.37 1wh2 n GLY 74 Ca 0.48 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1wh2 n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh2 s PRO 75 N -1.86 3.50 0.18 1.61 0.04 -1.26 -4.96 135.00 132.25 1wh2 s PRO 75 Ca 0.00 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1wh2 s PRO 75 Cb 0.00 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.42 1wh2 s PRO 75 CO 0.00 -0.76 1.46 1.03 0.04 0.00 0.00 177.00 178.77 1wh2 h SER 76 N 1.58 0.54 -5.74 6.66 0.87 -1.95 -3.48 113.55 112.03 1wh2 h SER 76 Ca -0.50 -0.33 -0.20 0.00 -1.23 0.00 0.00 61.79 59.54 1wh2 h SER 76 Cb 1.26 -0.16 0.06 0.00 -0.44 0.00 0.00 62.40 63.12 1wh2 h SER 76 CO 0.58 1.06 -0.50 -1.20 -0.53 0.00 0.00 176.83 176.24 1wh2 n SER 77 N -3.89 -6.72 0.00 6.23 7.64 -1.26 -5.05 113.62 110.57 1wh2 n SER 77 Ca -0.04 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1wh2 n SER 77 Cb 0.67 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 59.44 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64