#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 -1.97 -2.84 1.61 3.41 -1.26 -5.10 113.62 107.47 1wh2 n SER 2 Ca 0.00 -0.10 -0.16 0.00 -0.26 0.00 0.00 58.87 58.35 1wh2 n SER 2 Cb 0.00 -1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 62.76 1wh2 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wh2 n SER 3 N -3.35 -0.72 0.00 4.04 2.88 -1.26 -5.15 113.62 110.05 1wh2 n SER 3 Ca 0.02 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 1wh2 n SER 3 Cb 0.57 1.58 0.00 0.00 -0.75 0.00 0.00 64.21 65.61 1wh2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh2 n GLY 4 N -0.52 3.53 2.00 0.46 0.00 -1.26 -5.11 105.19 104.29 1wh2 n GLY 4 Ca 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1wh2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh2 n SER 5 N 0.00 -0.03 -4.34 1.61 7.64 -1.26 -5.09 113.62 112.15 1wh2 n SER 5 Ca 0.00 0.04 -0.29 0.00 1.01 0.00 0.00 58.87 59.63 1wh2 n SER 5 Cb 0.00 0.07 0.24 0.00 -1.01 0.00 0.00 64.21 63.51 1wh2 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh2 s SER 6 N -4.85 1.01 -0.30 6.43 0.15 -1.26 -5.07 113.70 109.81 1wh2 s SER 6 Ca 0.00 1.24 0.04 0.00 0.70 0.00 0.00 55.95 57.93 1wh2 s SER 6 Cb 0.00 -1.91 0.18 0.00 -1.71 0.00 0.00 66.02 62.58 1wh2 s SER 6 CO 0.00 -4.14 0.49 -0.83 1.20 0.00 0.00 173.24 169.97 1wh2 s GLY 7 N -2.95 -0.88 -1.53 9.45 0.00 -1.26 -5.06 107.32 105.09 1wh2 s GLY 7 Ca 0.68 0.51 -0.11 0.00 0.00 0.00 0.00 44.72 45.79 1wh2 s GLY 7 CO 0.61 3.34 2.59 -0.62 0.00 0.00 0.00 173.10 179.02 1wh2 n VAL 8 N 5.27 4.00 -1.79 1.40 0.31 -1.26 -4.96 118.33 121.30 1wh2 n VAL 8 Ca 0.03 -2.91 -0.36 0.00 -0.01 0.00 0.00 64.34 61.10 1wh2 n VAL 8 Cb 0.52 -2.58 0.06 0.00 -0.91 0.00 0.00 33.84 30.92 1wh2 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wh2 s ARG 9 N 2.39 2.65 0.98 5.55 3.03 -1.26 -5.02 118.95 127.27 1wh2 s ARG 9 Ca 0.58 1.89 -0.12 0.00 2.03 0.00 0.00 55.73 60.11 1wh2 s ARG 9 Cb 0.16 -1.88 0.18 0.00 -1.03 0.00 0.00 34.95 32.38 1wh2 s ARG 9 CO -0.07 -1.48 1.08 0.54 -1.13 0.00 0.00 175.30 174.25 1wh2 s VAL 10 N -1.62 2.30 -1.19 4.99 0.11 -1.26 -4.95 120.40 118.78 1wh2 s VAL 10 Ca 0.78 0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.87 1wh2 s VAL 10 Cb -0.32 -2.49 0.23 0.00 -1.53 0.00 0.00 36.38 32.26 1wh2 s VAL 10 CO 0.38 -0.13 1.80 0.18 -3.33 0.00 0.00 175.10 174.00 1wh2 n LEU 11 N -4.19 6.83 -4.73 2.54 4.77 -1.26 -4.97 117.00 115.99 1wh2 n LEU 11 Ca 0.06 -4.95 -0.41 0.00 -0.03 0.00 0.00 56.01 50.67 1wh2 n LEU 11 Cb 0.56 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 1wh2 n LEU 11 CO 0.56 1.65 0.81 -0.44 -1.33 0.00 0.00 177.39 178.64 1wh2 s SER 12 N -0.38 7.23 -0.64 -1.43 0.01 -1.26 -4.99 113.70 112.23 1wh2 s SER 12 Ca 0.38 2.07 -0.27 0.00 1.31 0.00 0.00 55.95 59.44 1wh2 s SER 12 Cb 0.10 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1wh2 s SER 12 CO 0.02 -0.28 1.56 -0.31 0.41 0.00 0.00 173.24 174.64 1wh2 s TYR 13 N 0.05 2.02 -0.59 2.43 1.51 -1.26 -4.96 117.35 116.55 1wh2 s TYR 13 Ca 0.51 0.42 -0.28 0.00 -1.01 0.00 0.00 57.07 56.71 1wh2 s TYR 13 Cb -0.29 -4.35 0.03 0.00 -0.11 0.00 0.00 41.96 37.24 1wh2 s TYR 13 CO 0.34 -2.17 1.26 -0.51 -1.11 0.00 0.00 175.55 173.35 1wh2 s ASP 14 N 5.72 6.34 0.29 2.29 1.01 -1.26 -4.92 116.67 126.14 1wh2 s ASP 14 Ca 0.53 0.10 0.08 0.00 0.71 0.00 0.00 52.55 53.97 1wh2 s ASP 14 Cb -0.11 -2.55 0.43 0.00 1.01 0.00 0.00 42.92 41.70 1wh2 s ASP 14 CO 0.20 -1.58 1.67 0.11 0.21 0.00 0.00 175.17 175.78 1wh2 h LYS 15 N 9.99 0.12 0.12 8.23 1.57 -1.98 -3.31 116.57 131.31 1wh2 h LYS 15 Ca -0.26 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.15 1wh2 h LYS 15 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1wh2 h LYS 15 CO 1.19 0.60 -1.51 0.93 -0.57 0.00 0.00 179.45 180.09 1wh2 h GLU 16 N 0.10 0.26 -6.86 3.15 3.07 -1.95 -0.93 114.58 111.41 1wh2 h GLU 16 Ca 0.00 -0.44 -0.50 0.00 -0.50 0.00 0.00 59.36 57.91 1wh2 h GLU 16 Cb 0.93 0.17 0.03 0.00 -0.84 0.00 0.00 28.75 29.03 1wh2 h GLU 16 CO 0.07 1.13 0.49 -1.59 -1.40 0.00 0.00 179.01 177.72 1wh2 s LYS 17 N -2.62 4.43 -0.57 2.33 -2.85 -1.25 -4.65 119.74 114.56 1wh2 s LYS 17 Ca -0.09 1.82 -0.28 0.00 -1.00 0.00 0.00 55.97 56.42 1wh2 s LYS 17 Cb 0.07 -2.99 0.03 0.00 -2.06 0.00 0.00 37.83 32.88 1wh2 s LYS 17 CO 0.86 0.01 1.17 -0.51 0.10 0.00 0.00 175.35 176.98 1wh2 s LEU 18 N -1.86 3.51 0.00 2.77 1.43 -1.26 -4.16 118.68 119.11 1wh2 s LEU 18 Ca 0.49 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1wh2 s LEU 18 Cb -0.31 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1wh2 s LEU 18 CO 0.40 -1.45 0.22 -3.20 0.23 0.00 0.00 176.35 172.55 1wh2 n ASN 19 N 8.34 0.00 -4.16 2.29 5.15 -0.17 -4.62 115.26 122.09 1wh2 n ASN 19 Ca 0.08 -1.00 -0.33 0.00 -0.60 0.00 0.00 54.58 52.73 1wh2 n ASN 19 Cb 0.49 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.58 1wh2 n ASN 19 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1wh2 s TRP 20 N 0.00 2.85 0.36 1.20 0.52 -0.72 -2.15 118.94 121.00 1wh2 s TRP 20 Ca 0.00 -1.55 -0.05 0.00 0.02 0.00 0.00 56.10 54.52 1wh2 s TRP 20 Cb 0.00 -1.96 -0.05 0.00 -1.15 0.00 0.00 33.47 30.31 1wh2 s TRP 20 CO 0.00 -0.76 0.65 -0.51 0.02 0.00 0.00 176.95 176.35 1wh2 s LEU 21 N 1.32 3.91 0.20 2.99 1.43 0.77 -0.33 118.68 128.97 1wh2 s LEU 21 Ca 0.04 0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 53.79 1wh2 s LEU 21 Cb -0.14 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.43 1wh2 s LEU 21 CO -0.10 -0.33 0.47 -0.72 0.23 0.00 0.00 176.35 175.90 1wh2 s TYR 22 N -2.32 0.05 -0.31 0.29 -0.85 -1.01 -1.65 117.35 111.54 1wh2 s TYR 22 Ca 0.45 -0.40 -0.07 0.00 -0.52 0.00 0.00 57.07 56.53 1wh2 s TYR 22 Cb -0.10 0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.53 1wh2 s TYR 22 CO 0.34 -0.90 0.10 0.15 -1.52 0.00 0.00 175.55 173.73 1wh2 s LYS 23 N -3.91 3.04 1.26 -3.49 1.02 -1.26 -1.43 119.74 114.97 1wh2 s LYS 23 Ca 0.13 -0.90 -0.17 0.00 0.02 0.00 0.00 55.97 55.05 1wh2 s LYS 23 Cb -0.00 -3.43 0.31 0.00 -0.52 0.00 0.00 37.83 34.19 1wh2 s LYS 23 CO -0.00 -0.49 1.00 0.34 -0.92 0.00 0.00 175.35 175.28 1wh2 s ASP 24 N 1.51 0.27 0.00 2.83 -1.08 -1.21 -4.87 116.67 114.11 1wh2 s ASP 24 Ca 0.02 1.16 0.00 0.00 -0.52 0.00 0.00 52.55 53.21 1wh2 s ASP 24 Cb -0.18 -1.75 0.00 0.00 -1.46 0.00 0.00 42.92 39.54 1wh2 s ASP 24 CO 0.03 -4.59 1.80 -0.81 0.52 0.00 0.00 175.17 172.12 1wh2 n PRO 25 N -5.14 0.95 0.00 4.34 -0.04 -1.26 -3.21 135.00 130.64 1wh2 n PRO 25 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1wh2 n PRO 25 Cb 0.57 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1wh2 n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wh2 n GLN 26 N 1.43 3.11 -0.37 0.54 6.02 -1.26 -5.05 117.38 121.80 1wh2 n GLN 26 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wh2 n GLN 26 Cb 0.47 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 31.08 1wh2 n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wh2 n GLY 27 N 1.37 0.81 3.88 1.08 0.00 -1.20 -5.07 105.19 106.06 1wh2 n GLY 27 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.38 -0.81 0.99 2.01 -1.26 -4.99 118.68 119.01 1wh2 s LEU 28 Ca 0.00 0.52 -0.26 0.00 0.01 0.00 0.00 54.13 54.40 1wh2 s LEU 28 Cb 0.00 -2.47 0.04 0.00 0.01 0.00 0.00 46.19 43.78 1wh2 s LEU 28 CO 0.00 0.31 1.29 -0.69 1.01 0.00 0.00 176.35 178.27 1wh2 s VAL 29 N -1.20 3.84 0.66 -1.59 1.01 -1.26 -3.32 120.40 118.53 1wh2 s VAL 29 Ca 0.23 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.11 1wh2 s VAL 29 Cb -0.13 -4.93 -0.01 0.00 0.00 0.00 0.00 36.38 31.31 1wh2 s VAL 29 CO 0.13 -1.84 1.06 -1.10 0.00 0.00 0.00 175.10 173.35 1wh2 s GLN 30 N 5.36 3.05 0.00 2.72 -1.52 -0.52 -4.95 119.66 123.81 1wh2 s GLN 30 Ca 0.37 1.08 0.00 0.00 -1.95 0.00 0.00 55.36 54.85 1wh2 s GLN 30 Cb -0.07 -2.00 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 1wh2 s GLN 30 CO 0.08 -1.01 0.00 0.41 -0.25 0.00 0.00 175.29 174.52 1wh2 n GLY 31 N -1.50 -0.62 3.91 3.09 0.00 -1.26 -2.41 105.19 106.40 1wh2 n GLY 31 Ca 0.08 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.59 1.89 0.19 1.61 0.04 -1.26 -4.99 135.00 131.89 1wh2 s PRO 32 Ca 0.00 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.00 1wh2 s PRO 32 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1wh2 s PRO 32 CO 0.00 -1.58 0.02 -0.06 0.04 0.00 0.00 177.00 175.42 1wh2 s PHE 33 N -3.52 1.26 0.47 0.56 0.08 0.56 -4.71 117.98 112.69 1wh2 s PHE 33 Ca 0.63 -1.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.44 1wh2 s PHE 33 Cb -0.10 -0.72 -0.09 0.00 -0.57 0.00 0.00 43.02 41.54 1wh2 s PHE 33 CO 0.48 -0.25 0.95 -1.54 -0.10 0.00 0.00 175.22 174.77 1wh2 s SER 34 N -3.20 6.74 0.36 1.36 1.04 -1.26 -1.00 113.70 117.74 1wh2 s SER 34 Ca 0.27 1.58 0.08 0.00 0.48 0.00 0.00 55.95 58.36 1wh2 s SER 34 Cb 0.06 -2.51 0.69 0.00 0.10 0.00 0.00 66.02 64.37 1wh2 s SER 34 CO 0.06 -0.48 1.87 -0.07 0.98 0.00 0.00 173.24 175.59 1wh2 h LEU 35 N 1.33 0.27 0.37 2.42 3.38 -1.40 -1.12 115.31 120.57 1wh2 h LEU 35 Ca -0.48 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1wh2 h LEU 35 Cb 1.18 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1wh2 h LEU 35 CO 0.62 0.46 -0.18 0.74 0.09 0.00 0.00 178.44 180.17 1wh2 h THR 36 N 0.27 0.64 -0.17 0.22 2.02 -1.90 0.72 112.91 114.71 1wh2 h THR 36 Ca 0.05 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.23 1wh2 h THR 36 Cb 0.45 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1wh2 h THR 36 CO 0.03 0.00 0.07 1.56 0.37 0.00 0.00 175.52 177.55 1wh2 h GLN 37 N -0.51 0.15 -0.62 6.66 4.20 -1.81 0.36 115.11 123.55 1wh2 h GLN 37 Ca -0.05 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.69 1wh2 h GLN 37 Cb 0.39 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1wh2 h GLN 37 CO 0.08 0.10 0.36 -0.07 -0.67 0.00 0.00 178.83 178.63 1wh2 h LEU 38 N 0.16 0.55 0.32 1.46 3.38 -1.14 0.07 115.31 120.11 1wh2 h LEU 38 Ca 0.07 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wh2 h LEU 38 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wh2 h LEU 38 CO -0.06 0.37 -0.15 0.50 0.09 0.00 0.00 178.44 179.19 1wh2 h LYS 39 N 0.68 -0.41 0.00 1.13 3.64 -0.46 -1.43 116.57 119.72 1wh2 h LYS 39 Ca 0.27 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1wh2 h LYS 39 Cb 0.11 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1wh2 h LYS 39 CO -0.15 -0.19 -0.02 0.00 -2.27 0.00 0.00 179.45 176.83 1wh2 h ALA 40 N 0.08 1.92 -0.12 5.00 0.00 -0.52 0.20 119.26 125.82 1wh2 h ALA 40 Ca -0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1wh2 h ALA 40 Cb 0.41 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1wh2 h ALA 40 CO 0.07 0.02 -0.51 -1.49 0.00 0.00 0.00 179.25 177.34 1wh2 h TRP 41 N 0.00 0.74 -0.67 0.00 6.55 -0.91 -2.72 115.95 118.95 1wh2 h TRP 41 Ca -0.00 -0.32 -0.02 0.00 0.95 0.00 0.00 58.89 59.50 1wh2 h TRP 41 Cb 0.03 -0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 28.18 1wh2 h TRP 41 CO 0.00 1.10 0.35 1.03 -1.05 0.00 0.00 178.44 179.87 1wh2 h SER 42 N 0.17 0.85 -0.52 -3.49 0.87 -0.08 -1.01 113.55 110.35 1wh2 h SER 42 Ca -0.03 -0.11 0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1wh2 h SER 42 Cb 1.15 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1wh2 h SER 42 CO 0.11 0.72 0.37 0.44 -0.53 0.00 0.00 176.83 177.94 1wh2 h ASP 43 N 0.92 0.04 -0.56 6.23 3.32 -0.69 -1.71 116.42 123.96 1wh2 h ASP 43 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1wh2 h ASP 43 Cb 0.08 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1wh2 h ASP 43 CO -0.03 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 1wh2 n ALA 44 N -2.63 2.40 -1.60 3.45 0.00 -0.74 -4.96 120.51 116.43 1wh2 n ALA 44 Ca 0.09 -1.14 -0.18 0.00 0.00 0.00 0.00 53.44 52.22 1wh2 n ALA 44 Cb 0.56 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 1.56 -1.26 0.00 0.00 -0.58 -0.64 -4.89 120.64 114.82 1wh2 n GLU 45 Ca 0.22 1.10 0.12 0.00 -0.42 0.00 0.00 57.16 58.18 1wh2 n GLU 45 Cb 0.61 -5.39 0.64 0.00 -0.57 0.00 0.00 31.44 26.74 1wh2 n GLU 45 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1wh2 n TYR 46 N -2.64 0.00 -4.51 -0.32 4.01 -0.46 -4.83 117.16 108.42 1wh2 n TYR 46 Ca -0.18 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.32 1wh2 n TYR 46 Cb 0.60 -0.18 -0.10 0.00 -0.31 0.00 0.00 39.34 39.35 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 -2.35 2.02 0.16 -0.72 0.08 -1.26 -4.96 117.98 110.96 1wh2 s PHE 47 Ca 0.28 -0.96 0.04 0.00 0.12 0.00 0.00 56.93 56.41 1wh2 s PHE 47 Cb 0.16 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1wh2 s PHE 47 CO 0.33 0.05 0.24 0.95 -0.10 0.00 0.00 175.22 176.69 1wh2 s THR 48 N -3.16 5.04 -1.09 0.64 -4.23 -1.26 -4.99 115.64 106.59 1wh2 s THR 48 Ca 0.33 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 60.01 1wh2 s THR 48 Cb 0.08 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.33 1wh2 s THR 48 CO 0.15 -0.12 1.01 1.17 -0.54 0.00 0.00 174.62 176.29 1wh2 n LYS 49 N -0.56 0.00 -1.65 3.99 0.00 -1.26 -0.88 118.16 117.82 1wh2 n LYS 49 Ca -0.08 0.43 -0.02 0.00 0.00 0.00 0.00 58.31 58.65 1wh2 n LYS 49 Cb 0.54 -1.50 0.08 0.00 0.00 0.00 0.00 35.03 34.15 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1wh2 n GLN 50 N -1.46 1.52 -2.40 1.64 3.00 -1.26 -5.08 117.38 113.34 1wh2 n GLN 50 Ca 0.00 -3.11 -0.39 0.00 -0.01 0.00 0.00 57.00 53.50 1wh2 n GLN 50 Cb 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 30.24 28.98 1wh2 n GLN 50 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1wh2 s PHE 51 N -2.42 3.31 0.16 1.08 5.36 -0.06 -5.01 117.98 120.40 1wh2 s PHE 51 Ca 0.37 1.62 0.05 0.00 -0.96 0.00 0.00 56.93 58.01 1wh2 s PHE 51 Cb 0.37 -3.32 -0.04 0.00 -0.34 0.00 0.00 43.02 39.69 1wh2 s PHE 51 CO -0.07 -0.91 -0.11 1.03 -1.46 0.00 0.00 175.22 173.69 1wh2 s ARG 52 N -1.97 1.14 0.05 10.12 3.00 -1.26 -2.27 118.95 127.76 1wh2 s ARG 52 Ca 0.52 -1.49 0.03 0.00 0.00 0.00 0.00 55.73 54.79 1wh2 s ARG 52 Cb -0.30 -0.78 -0.03 0.00 0.00 0.00 0.00 34.95 33.85 1wh2 s ARG 52 CO 0.38 0.11 -0.10 0.14 0.00 0.00 0.00 175.30 175.84 1wh2 s VAL 53 N -3.20 0.72 0.17 3.52 -7.23 -0.68 -4.68 120.40 109.02 1wh2 s VAL 53 Ca 0.18 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.30 1wh2 s VAL 53 Cb 0.01 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 1wh2 s VAL 53 CO 0.02 -0.32 -0.15 -1.66 -0.31 0.00 0.00 175.10 172.68 1wh2 s TRP 54 N -1.32 1.65 0.83 2.82 -2.14 -0.66 -0.96 118.94 119.16 1wh2 s TRP 54 Ca -0.07 -0.54 -0.12 0.00 2.66 0.00 0.00 56.10 58.02 1wh2 s TRP 54 Cb -0.10 -0.81 0.09 0.00 -3.10 0.00 0.00 33.47 29.56 1wh2 s TRP 54 CO 0.01 0.28 1.16 -1.64 -2.66 0.00 0.00 176.95 174.11 1wh2 s MET 55 N -3.13 1.79 0.74 3.25 -1.94 -1.26 -0.16 119.30 118.58 1wh2 s MET 55 Ca 0.17 0.18 -0.15 0.00 -1.71 0.00 0.00 55.69 54.18 1wh2 s MET 55 Cb -0.03 -1.92 0.04 0.00 2.01 0.00 0.00 34.83 34.93 1wh2 s MET 55 CO 0.05 -1.73 1.21 0.95 -0.01 0.00 0.00 175.02 175.50 1wh2 s THR 56 N -3.49 2.28 0.00 2.05 -4.23 -0.91 -2.93 115.64 108.41 1wh2 s THR 56 Ca 0.62 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 1wh2 s THR 56 Cb -0.12 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1wh2 s THR 56 CO 0.50 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 1wh2 n GLY 57 N 0.41 1.36 3.76 3.99 0.00 -1.26 -4.96 105.19 108.49 1wh2 n GLY 57 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1wh2 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wh2 s GLU 58 N 0.00 0.41 0.33 1.61 0.41 -1.15 -5.06 118.70 115.26 1wh2 s GLU 58 Ca 0.00 0.09 -0.17 0.00 -0.41 0.00 0.00 54.97 54.48 1wh2 s GLU 58 Cb 0.00 -1.77 -0.09 0.00 -1.78 0.00 0.00 34.13 30.48 1wh2 s GLU 58 CO 0.00 -2.65 0.77 -1.54 -0.49 0.00 0.00 175.26 171.36 1wh2 s SER 59 N -4.12 6.83 0.53 -0.19 1.04 -1.26 -4.98 113.70 111.56 1wh2 s SER 59 Ca 0.68 1.37 0.27 0.00 0.48 0.00 0.00 55.95 58.74 1wh2 s SER 59 Cb -0.12 -2.41 1.48 0.00 0.10 0.00 0.00 66.02 65.07 1wh2 s SER 59 CO 0.54 -0.21 2.09 -0.03 0.98 0.00 0.00 173.24 176.62 1wh2 h MET 60 N 2.30 0.00 0.00 4.02 4.05 -1.97 -0.28 114.93 123.06 1wh2 h MET 60 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1wh2 h MET 60 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1wh2 h MET 60 CO 0.65 0.11 0.00 0.39 0.23 0.00 0.00 176.91 178.28 1wh2 n GLU 61 N -3.72 0.09 -0.94 0.39 1.02 -1.26 -1.94 120.64 114.29 1wh2 n GLU 61 Ca -0.02 0.15 -0.09 0.00 -0.02 0.00 0.00 57.16 57.18 1wh2 n GLU 61 Cb 0.21 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.35 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 3.43 -4.74 1.62 2.88 -0.12 -4.98 113.62 110.29 1wh2 n SER 62 Ca 0.06 -3.55 -0.38 0.00 -1.33 0.00 0.00 58.87 53.67 1wh2 n SER 62 Cb 0.20 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 62.89 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 -3.18 3.52 0.26 -1.46 0.00 -0.82 -4.67 121.76 115.41 1wh2 s ALA 63 Ca 0.50 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.31 1wh2 s ALA 63 Cb 0.43 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 1wh2 s ALA 63 CO 0.07 0.08 0.35 0.14 0.00 0.00 0.00 175.76 176.40 1wh2 s VAL 64 N 0.33 4.88 0.10 0.00 -7.23 -0.14 -4.79 120.40 113.55 1wh2 s VAL 64 Ca 0.25 -1.07 -0.31 0.00 -1.81 0.00 0.00 61.98 59.04 1wh2 s VAL 64 Cb -0.15 -3.69 -0.10 0.00 0.56 0.00 0.00 36.38 33.00 1wh2 s VAL 64 CO 0.10 -0.30 1.76 -0.76 -0.31 0.00 0.00 175.10 175.60 1wh2 s LEU 65 N -3.99 4.39 0.40 1.32 1.43 -1.26 -1.68 118.68 119.28 1wh2 s LEU 65 Ca 0.36 2.66 0.16 0.00 -1.03 0.00 0.00 54.13 56.27 1wh2 s LEU 65 Cb -0.09 -3.56 1.03 0.00 0.03 0.00 0.00 46.19 43.60 1wh2 s LEU 65 CO 0.29 -0.96 1.83 0.25 0.23 0.00 0.00 176.35 177.98 1wh2 h LEU 66 N 8.61 0.48 -0.97 1.79 5.85 -1.78 -0.13 115.31 129.16 1wh2 h LEU 66 Ca -0.45 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1wh2 h LEU 66 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1wh2 h LEU 66 CO 0.94 0.17 0.00 0.74 -0.34 0.00 0.00 178.44 179.95 1wh2 h THR 67 N 0.47 0.00 0.02 1.05 2.02 -1.90 -1.02 112.91 113.54 1wh2 h THR 67 Ca 0.51 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1wh2 h THR 67 Cb 1.19 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1wh2 h THR 67 CO -0.23 0.00 -0.01 -0.78 0.37 0.00 0.00 175.52 174.87 1wh2 h ASP 68 N 0.00 -0.02 -0.99 4.18 3.58 -1.42 -3.35 116.42 118.39 1wh2 h ASP 68 Ca 0.00 -0.49 0.17 0.00 0.42 0.00 0.00 57.03 57.12 1wh2 h ASP 68 Cb 0.54 0.01 -0.10 0.00 1.72 0.00 0.00 39.33 41.50 1wh2 h ASP 68 CO 0.00 0.71 0.61 0.58 -2.88 0.00 0.00 179.24 178.26 1wh2 h VAL 69 N -0.99 0.77 -0.75 2.25 2.07 -1.07 0.06 116.25 118.59 1wh2 h VAL 69 Ca -0.00 -0.28 0.14 0.00 0.82 0.00 0.00 66.70 67.37 1wh2 h VAL 69 Cb 0.51 -0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 1wh2 h VAL 69 CO 0.00 0.15 0.31 -0.07 0.02 0.00 0.00 177.57 177.98 1wh2 h LEU 70 N 0.82 0.29 -0.11 2.57 4.07 -1.35 -0.72 115.31 120.89 1wh2 h LEU 70 Ca 0.55 0.11 -0.08 0.00 0.08 0.00 0.00 57.88 58.54 1wh2 h LEU 70 Cb 0.76 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1wh2 h LEU 70 CO -0.35 0.12 -0.23 -0.09 -1.08 0.00 0.00 178.44 176.80 1wh2 h ARG 71 N 0.46 0.35 -0.30 1.13 2.43 -1.16 -3.34 114.38 113.95 1wh2 h ARG 71 Ca 0.41 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 59.41 1wh2 h ARG 71 Cb 0.61 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.13 1wh2 h ARG 71 CO -0.39 0.83 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.75 1wh2 h LEU 72 N -0.08 -0.29 -8.49 3.80 3.38 -0.51 -3.37 115.31 109.75 1wh2 h LEU 72 Ca 0.00 0.09 -0.46 0.00 0.09 0.00 0.00 57.88 57.61 1wh2 h LEU 72 Cb 0.83 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1wh2 h LEU 72 CO 0.05 -0.10 1.33 -0.94 0.09 0.00 0.00 178.44 178.86 1wh2 s SER 73 N -5.21 5.01 0.38 -0.43 1.04 -0.35 -4.99 113.70 109.15 1wh2 s SER 73 Ca -0.14 0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.63 1wh2 s SER 73 Cb 0.12 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.66 1wh2 s SER 73 CO 0.70 -2.58 0.70 -0.83 0.98 0.00 0.00 173.24 172.21 1wh2 s GLY 74 N 9.16 1.85 -0.73 7.32 0.00 -1.26 -4.93 107.32 118.73 1wh2 s GLY 74 Ca 0.75 -0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.86 1wh2 s GLY 74 CO 0.20 -0.20 1.76 2.56 0.00 0.00 0.00 173.10 177.42 1wh2 s PRO 75 N -3.89 2.76 0.34 2.90 0.04 -1.26 -4.90 135.00 131.00 1wh2 s PRO 75 Ca 0.48 0.15 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 1wh2 s PRO 75 Cb -0.10 -4.58 0.03 0.00 0.04 0.00 0.00 34.50 29.89 1wh2 s PRO 75 CO 0.33 -2.76 0.69 -1.54 0.04 0.00 0.00 177.00 173.76 1wh2 s SER 76 N 7.18 0.10 -0.01 6.66 1.04 -1.26 -5.04 113.70 122.37 1wh2 s SER 76 Ca 0.61 -1.07 0.16 0.00 0.48 0.00 0.00 55.95 56.13 1wh2 s SER 76 Cb -0.10 0.77 -0.19 0.00 0.10 0.00 0.00 66.02 66.60 1wh2 s SER 76 CO 0.13 -1.49 0.60 -1.54 0.98 0.00 0.00 173.24 171.92 1wh2 n SER 77 N -1.10 0.87 0.00 7.02 3.41 -1.26 -5.15 113.62 117.41 1wh2 n SER 77 Ca -0.05 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1wh2 n SER 77 Cb 0.60 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49