#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh2 s SER 2 N 0.00 4.22 0.67 1.61 1.04 -1.26 -4.94 113.70 115.05 1wh2 s SER 2 Ca 0.00 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.37 1wh2 s SER 2 Cb 0.00 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.68 1wh2 s SER 2 CO 0.00 -3.55 0.93 -0.94 0.98 0.00 0.00 173.24 170.66 1wh2 s SER 3 N 10.24 4.61 0.09 7.02 1.04 -1.26 -5.03 113.70 130.40 1wh2 s SER 3 Ca 0.87 -0.36 -0.31 0.00 0.48 0.00 0.00 55.95 56.63 1wh2 s SER 3 Cb -0.12 -0.13 -0.09 0.00 0.10 0.00 0.00 66.02 65.78 1wh2 s SER 3 CO 0.07 -1.67 1.79 -0.83 0.98 0.00 0.00 173.24 173.58 1wh2 s GLY 4 N -4.67 1.43 0.47 7.32 0.00 -1.26 -5.02 107.32 105.59 1wh2 s GLY 4 Ca 0.64 1.34 0.05 0.00 0.00 0.00 0.00 44.72 46.75 1wh2 s GLY 4 CO 0.43 3.11 0.17 -0.56 0.00 0.00 0.00 173.10 176.24 1wh2 s SER 5 N 2.90 4.33 -0.23 1.64 0.01 -1.26 -5.16 113.70 115.94 1wh2 s SER 5 Ca 0.80 -1.30 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1wh2 s SER 5 Cb -0.43 -0.00 0.12 0.00 0.21 0.00 0.00 66.02 65.92 1wh2 s SER 5 CO 0.36 -0.74 0.37 -0.44 0.41 0.00 0.00 173.24 173.20 1wh2 s SER 6 N -3.96 0.21 0.95 2.44 0.01 -1.26 -5.06 113.70 107.02 1wh2 s SER 6 Ca 0.29 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1wh2 s SER 6 Cb 0.03 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.37 1wh2 s SER 6 CO 0.17 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1wh2 n GLY 7 N 5.37 1.65 3.46 3.44 0.00 -1.26 -4.92 105.19 112.94 1wh2 n GLY 7 Ca -0.05 -0.11 -0.48 0.00 0.00 0.00 0.00 46.02 45.38 1wh2 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wh2 n VAL 8 N 0.00 0.14 -3.64 1.61 0.31 -1.26 -4.96 118.33 110.53 1wh2 n VAL 8 Ca 0.00 -0.30 -0.22 0.00 -0.01 0.00 0.00 64.34 63.81 1wh2 n VAL 8 Cb 0.00 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.21 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 6.74 2.48 0.03 5.55 3.03 -1.26 -5.11 118.95 130.40 1wh2 s ARG 9 Ca 1.11 -1.60 0.00 0.00 2.03 0.00 0.00 55.73 57.27 1wh2 s ARG 9 Cb -0.81 -2.32 -0.02 0.00 -1.03 0.00 0.00 34.95 30.77 1wh2 s ARG 9 CO 0.46 -0.22 -0.04 0.54 -1.13 0.00 0.00 175.30 174.91 1wh2 s VAL 10 N -2.51 0.22 -0.06 4.99 0.11 -1.26 -5.14 120.40 116.74 1wh2 s VAL 10 Ca 0.47 -1.03 -0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1wh2 s VAL 10 Cb -0.02 -0.46 0.03 0.00 -1.53 0.00 0.00 36.38 34.41 1wh2 s VAL 10 CO 0.27 -0.52 0.06 -0.76 -3.33 0.00 0.00 175.10 170.82 1wh2 s LEU 11 N -1.63 0.21 0.01 2.54 1.43 -1.26 -5.15 118.68 114.83 1wh2 s LEU 11 Ca -0.12 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1wh2 s LEU 11 Cb -0.08 -0.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.94 1wh2 s LEU 11 CO -0.01 -0.26 -0.25 -0.44 0.23 0.00 0.00 176.35 175.61 1wh2 s SER 12 N 2.15 3.00 -0.22 2.29 0.01 -1.26 -5.09 113.70 114.58 1wh2 s SER 12 Ca 0.04 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 56.50 1wh2 s SER 12 Cb -0.13 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 1wh2 s SER 12 CO -0.04 0.28 1.59 -0.31 0.41 0.00 0.00 173.24 175.17 1wh2 s TYR 13 N -0.69 2.15 0.34 2.43 1.51 -1.26 -4.98 117.35 116.86 1wh2 s TYR 13 Ca 0.10 0.56 -0.29 0.00 -1.01 0.00 0.00 57.07 56.44 1wh2 s TYR 13 Cb -0.10 -3.97 -0.12 0.00 -0.11 0.00 0.00 41.96 37.67 1wh2 s TYR 13 CO 0.00 -2.86 1.42 -0.40 -1.11 0.00 0.00 175.55 172.61 1wh2 n ASP 14 N 8.31 3.34 0.00 2.29 5.68 -1.26 -4.90 116.55 130.01 1wh2 n ASP 14 Ca 0.18 1.20 0.00 0.00 -0.50 0.00 0.00 54.79 55.68 1wh2 n ASP 14 Cb 0.45 -1.55 0.00 0.00 -1.14 0.00 0.00 41.12 38.88 1wh2 n ASP 14 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1wh2 n LYS 15 N 0.83 2.00 0.03 0.11 2.85 -1.26 -4.62 118.16 118.10 1wh2 n LYS 15 Ca 0.04 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 1wh2 n LYS 15 Cb 0.37 -0.67 -0.08 0.00 -0.65 0.00 0.00 35.03 34.00 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 -0.89 0.62 -2.81 -1.58 0.28 -1.26 -1.28 120.64 113.72 1wh2 n GLU 16 Ca 0.00 0.19 -0.28 0.00 -0.16 0.00 0.00 57.16 56.91 1wh2 n GLU 16 Cb 0.13 -1.79 -0.01 0.00 1.43 0.00 0.00 31.44 31.20 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 -2.99 3.61 -0.79 3.44 -2.85 -1.26 -4.75 119.74 114.15 1wh2 s LYS 17 Ca -0.03 0.21 -0.23 0.00 -1.00 0.00 0.00 55.97 54.92 1wh2 s LYS 17 Cb 0.09 -2.43 0.07 0.00 -2.06 0.00 0.00 37.83 33.50 1wh2 s LYS 17 CO 0.81 -0.09 1.15 -0.51 0.10 0.00 0.00 175.35 176.81 1wh2 s LEU 18 N -4.36 4.08 0.00 2.77 1.43 -1.26 -3.37 118.68 117.96 1wh2 s LEU 18 Ca 0.47 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1wh2 s LEU 18 Cb -0.10 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1wh2 s LEU 18 CO 0.39 -1.47 0.04 -3.20 0.23 0.00 0.00 176.35 172.34 1wh2 n ASN 19 N 8.07 0.09 -4.29 2.29 5.15 -0.45 -4.58 115.26 121.54 1wh2 n ASN 19 Ca 0.09 -0.43 -0.36 0.00 -0.60 0.00 0.00 54.58 53.29 1wh2 n ASN 19 Cb 0.48 0.17 -0.14 0.00 -0.53 0.00 0.00 39.78 39.76 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 -0.17 3.06 0.33 1.20 0.52 -0.46 -2.29 118.94 121.14 1wh2 s TRP 20 Ca 0.00 -1.15 -0.06 0.00 0.02 0.00 0.00 56.10 54.91 1wh2 s TRP 20 Cb 0.00 -2.14 -0.05 0.00 -1.15 0.00 0.00 33.47 30.13 1wh2 s TRP 20 CO 0.00 -0.61 0.62 -0.51 0.02 0.00 0.00 176.95 176.47 1wh2 s LEU 21 N 1.44 3.97 -0.02 2.99 1.43 0.40 -0.39 118.68 128.50 1wh2 s LEU 21 Ca 0.03 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.84 1wh2 s LEU 21 Cb -0.16 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.41 1wh2 s LEU 21 CO -0.02 -0.28 0.24 -0.72 0.23 0.00 0.00 176.35 175.80 1wh2 s TYR 22 N -2.21 -0.11 -0.11 0.29 -0.85 -1.05 -1.84 117.35 111.47 1wh2 s TYR 22 Ca 0.46 0.18 -0.21 0.00 -0.52 0.00 0.00 57.07 56.98 1wh2 s TYR 22 Cb -0.10 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 1wh2 s TYR 22 CO 0.31 -0.31 0.59 0.21 -1.52 0.00 0.00 175.55 174.83 1wh2 s LYS 23 N -1.13 4.36 0.95 -3.49 2.20 -1.26 -1.32 119.74 120.04 1wh2 s LYS 23 Ca -0.12 0.65 -0.15 0.00 -0.36 0.00 0.00 55.97 55.99 1wh2 s LYS 23 Cb -0.06 -3.46 0.22 0.00 -1.51 0.00 0.00 37.83 33.02 1wh2 s LYS 23 CO 0.03 0.06 1.30 -0.40 -0.36 0.00 0.00 175.35 175.97 1wh2 n ASP 24 N 3.93 0.25 0.04 1.43 5.68 -0.77 -4.96 116.55 122.14 1wh2 n ASP 24 Ca -0.04 -1.56 0.14 0.00 -0.50 0.00 0.00 54.79 52.83 1wh2 n ASP 24 Cb 0.51 -0.98 0.53 0.00 -1.14 0.00 0.00 41.12 40.05 1wh2 n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1wh2 n PRO 25 N -3.71 0.09 0.14 0.11 -0.04 -1.26 -2.78 135.00 127.56 1wh2 n PRO 25 Ca 0.17 0.07 -0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1wh2 n PRO 25 Cb 0.58 -1.61 0.19 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.00 0.54 7.50 -2.04 -3.47 115.11 117.64 1wh2 h GLN 26 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1wh2 h GLN 26 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 1wh2 h GLN 26 CO 0.00 0.59 0.00 0.41 -1.50 0.00 0.00 178.83 178.33 1wh2 n GLY 27 N 0.24 1.11 3.81 3.46 0.00 -1.12 -5.11 105.19 107.59 1wh2 n GLY 27 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 4.43 -0.56 0.99 2.01 -1.26 -4.86 118.68 119.43 1wh2 s LEU 28 Ca 0.00 1.34 -0.28 0.00 0.01 0.00 0.00 54.13 55.20 1wh2 s LEU 28 Cb 0.00 -3.29 0.01 0.00 0.01 0.00 0.00 46.19 42.91 1wh2 s LEU 28 CO 0.00 0.14 1.51 -0.69 1.01 0.00 0.00 176.35 178.32 1wh2 s VAL 29 N -1.35 3.68 0.32 -1.59 1.01 -1.26 -1.84 120.40 119.37 1wh2 s VAL 29 Ca 0.37 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 62.85 1wh2 s VAL 29 Cb -0.18 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1wh2 s VAL 29 CO 0.21 -1.10 0.61 -1.10 0.00 0.00 0.00 175.10 173.71 1wh2 s GLN 30 N 5.79 3.65 0.00 2.72 -1.52 -0.44 -4.99 119.66 124.87 1wh2 s GLN 30 Ca 0.56 0.09 0.00 0.00 -1.95 0.00 0.00 55.36 54.06 1wh2 s GLN 30 Cb -0.12 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 1wh2 s GLN 30 CO 0.24 0.14 0.00 0.41 -0.25 0.00 0.00 175.29 175.84 1wh2 n GLY 31 N -1.10 -0.97 3.83 3.09 0.00 -1.26 -2.53 105.19 106.24 1wh2 n GLY 31 Ca -0.01 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 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 1.20 0.10 1.61 0.04 -1.26 -5.01 135.00 131.68 1wh2 s PRO 32 Ca 0.00 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1wh2 s PRO 32 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1wh2 s PRO 32 CO 0.00 -2.13 -0.02 -0.06 0.04 0.00 0.00 177.00 174.84 1wh2 s PHE 33 N -3.42 0.80 0.41 0.56 0.08 0.48 -4.69 117.98 112.20 1wh2 s PHE 33 Ca 0.65 -1.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.40 1wh2 s PHE 33 Cb -0.12 -0.49 -0.08 0.00 -0.57 0.00 0.00 43.02 41.75 1wh2 s PHE 33 CO 0.52 -0.32 1.10 -1.54 -0.10 0.00 0.00 175.22 174.88 1wh2 s SER 34 N -3.02 6.57 0.37 1.36 1.04 -1.22 -1.34 113.70 117.46 1wh2 s SER 34 Ca 0.15 2.16 0.06 0.00 0.48 0.00 0.00 55.95 58.79 1wh2 s SER 34 Cb 0.07 -2.59 0.76 0.00 0.10 0.00 0.00 66.02 64.36 1wh2 s SER 34 CO -0.04 -0.63 1.98 -0.07 0.98 0.00 0.00 173.24 175.46 1wh2 h LEU 35 N 2.40 0.63 -0.90 2.42 3.38 -1.41 -1.95 115.31 119.88 1wh2 h LEU 35 Ca -0.49 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 1wh2 h LEU 35 Cb 1.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1wh2 h LEU 35 CO 0.62 0.42 0.10 0.74 0.09 0.00 0.00 178.44 180.41 1wh2 h THR 36 N 0.72 1.24 -0.16 0.22 2.02 -1.89 0.22 112.91 115.29 1wh2 h THR 36 Ca 0.29 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1wh2 h THR 36 Cb 0.21 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1wh2 h THR 36 CO -0.09 0.34 0.05 1.56 0.37 0.00 0.00 175.52 177.75 1wh2 h GLN 37 N 0.87 0.24 -0.78 6.66 4.20 -1.67 -2.43 115.11 122.20 1wh2 h GLN 37 Ca 0.18 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.88 1wh2 h GLN 37 Cb 0.37 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 1wh2 h GLN 37 CO 0.01 0.36 0.49 -0.07 -0.67 0.00 0.00 178.83 178.94 1wh2 h LEU 38 N 0.07 0.78 0.03 1.46 3.38 -0.90 -1.58 115.31 118.56 1wh2 h LEU 38 Ca 0.05 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wh2 h LEU 38 Cb 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1wh2 h LEU 38 CO -0.00 0.53 -0.12 0.50 0.09 0.00 0.00 178.44 179.43 1wh2 h LYS 39 N 0.92 -0.22 -0.26 1.13 3.64 -0.47 0.86 116.57 122.17 1wh2 h LYS 39 Ca 0.32 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1wh2 h LYS 39 Cb 0.08 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1wh2 h LYS 39 CO -0.14 -0.15 0.17 0.00 -2.27 0.00 0.00 179.45 177.07 1wh2 h ALA 40 N 0.70 0.33 -0.59 5.00 0.00 -0.93 0.15 119.26 123.93 1wh2 h ALA 40 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wh2 h ALA 40 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1wh2 h ALA 40 CO -0.10 -0.20 0.30 -1.49 0.00 0.00 0.00 179.25 177.76 1wh2 h TRP 41 N 0.35 0.84 -0.63 0.00 6.55 -1.17 0.70 115.95 122.59 1wh2 h TRP 41 Ca 0.10 -0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.90 1wh2 h TRP 41 Cb -0.03 -0.26 -0.03 0.00 -0.86 0.00 0.00 29.16 27.98 1wh2 h TRP 41 CO -0.06 0.63 0.39 1.03 -1.05 0.00 0.00 178.44 179.38 1wh2 h SER 42 N 0.80 0.75 -0.48 -3.49 0.87 -0.52 -0.58 113.55 110.89 1wh2 h SER 42 Ca 0.20 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 1wh2 h SER 42 Cb 0.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1wh2 h SER 42 CO -0.03 0.57 -0.22 -0.78 -0.53 0.00 0.00 176.83 175.85 1wh2 h ASP 43 N 0.85 1.03 0.00 6.23 1.82 -0.31 -1.42 116.42 124.62 1wh2 h ASP 43 Ca 0.23 -0.40 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1wh2 h ASP 43 Cb -0.04 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.68 1wh2 h ASP 43 CO -0.04 1.20 0.00 0.00 -1.61 0.00 0.00 179.24 178.78 1wh2 n ALA 44 N -2.52 2.50 -2.19 -0.78 0.00 0.20 -4.92 120.51 112.81 1wh2 n ALA 44 Ca -0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 1wh2 n ALA 44 Cb 0.46 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.55 -1.70 0.00 0.00 -0.58 -0.53 -4.86 120.64 112.42 1wh2 n GLU 45 Ca 0.02 0.99 0.01 0.00 -0.42 0.00 0.00 57.16 57.76 1wh2 n GLU 45 Cb 0.01 -5.56 0.06 0.00 -0.57 0.00 0.00 31.44 25.38 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 -3.47 0.00 -4.42 -0.32 4.01 -0.33 -4.84 117.16 107.79 1wh2 n TYR 46 Ca -0.22 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.31 1wh2 n TYR 46 Cb 0.66 -0.36 -0.09 0.00 -0.31 0.00 0.00 39.34 39.24 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 -2.71 1.75 0.45 -0.72 0.08 -1.26 -5.01 117.98 110.56 1wh2 s PHE 47 Ca 0.02 -1.20 0.03 0.00 0.12 0.00 0.00 56.93 55.90 1wh2 s PHE 47 Cb 0.02 -1.08 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 1wh2 s PHE 47 CO 0.04 -0.27 0.65 0.95 -0.10 0.00 0.00 175.22 176.49 1wh2 s THR 48 N -3.42 3.53 -2.17 0.64 -4.23 -1.26 -5.01 115.64 103.72 1wh2 s THR 48 Ca 0.33 -0.69 0.17 0.00 -1.18 0.00 0.00 61.69 60.32 1wh2 s THR 48 Cb 0.06 -3.28 0.41 0.00 1.34 0.00 0.00 72.50 71.03 1wh2 s THR 48 CO 0.15 -0.17 1.42 0.29 -0.54 0.00 0.00 174.62 175.77 1wh2 n LYS 49 N -2.05 1.92 -3.16 3.99 4.01 -1.26 -3.30 118.16 118.31 1wh2 n LYS 49 Ca 0.04 -1.41 -0.23 0.00 -0.51 0.00 0.00 58.31 56.19 1wh2 n LYS 49 Cb 0.58 -1.37 -0.06 0.00 -0.51 0.00 0.00 35.03 33.67 1wh2 n LYS 49 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1wh2 n GLN 50 N 0.64 0.70 -3.13 1.97 6.02 -1.26 -5.14 117.38 117.18 1wh2 n GLN 50 Ca 0.15 -3.12 -0.39 0.00 -0.01 0.00 0.00 57.00 53.64 1wh2 n GLN 50 Cb 0.37 -1.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.02 3.84 0.20 1.08 5.36 -1.21 -5.04 117.98 121.19 1wh2 s PHE 51 Ca 0.35 1.44 0.07 0.00 -0.96 0.00 0.00 56.93 57.83 1wh2 s PHE 51 Cb 0.17 -2.63 -0.05 0.00 -0.34 0.00 0.00 43.02 40.18 1wh2 s PHE 51 CO -0.12 0.53 -0.12 1.03 -1.46 0.00 0.00 175.22 175.08 1wh2 s ARG 52 N -1.21 1.30 0.03 10.12 3.00 -1.26 -1.78 118.95 129.15 1wh2 s ARG 52 Ca 0.33 -1.59 -0.06 0.00 0.00 0.00 0.00 55.73 54.42 1wh2 s ARG 52 Cb -0.21 -1.01 -0.01 0.00 0.00 0.00 0.00 34.95 33.72 1wh2 s ARG 52 CO 0.22 0.14 0.10 0.14 0.00 0.00 0.00 175.30 175.91 1wh2 s VAL 53 N -3.06 0.12 0.07 3.52 -7.23 -0.50 -4.61 120.40 108.71 1wh2 s VAL 53 Ca 0.22 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 1wh2 s VAL 53 Cb 0.01 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.17 1wh2 s VAL 53 CO 0.06 -0.55 0.26 -1.66 -0.31 0.00 0.00 175.10 172.90 1wh2 s TRP 54 N -2.35 0.00 0.79 2.82 -2.14 -0.77 -1.15 118.94 116.15 1wh2 s TRP 54 Ca -0.07 -0.29 -0.11 0.00 2.66 0.00 0.00 56.10 58.29 1wh2 s TRP 54 Cb -0.03 0.04 0.06 0.00 -3.10 0.00 0.00 33.47 30.45 1wh2 s TRP 54 CO -0.03 -0.53 1.08 -1.64 -2.66 0.00 0.00 176.95 173.17 1wh2 s MET 55 N -3.22 2.17 0.16 3.25 -1.94 -1.26 -0.45 119.30 118.00 1wh2 s MET 55 Ca -0.00 0.88 -0.32 0.00 -1.71 0.00 0.00 55.69 54.54 1wh2 s MET 55 Cb 0.02 -1.91 -0.11 0.00 2.01 0.00 0.00 34.83 34.83 1wh2 s MET 55 CO -0.08 -1.62 1.78 0.25 -0.01 0.00 0.00 175.02 175.35 1wh2 n THR 56 N -3.47 0.21 0.00 2.05 -2.24 -0.97 -1.74 114.28 108.11 1wh2 n THR 56 Ca 0.08 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1wh2 n THR 56 Cb 0.55 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1wh2 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh2 n GLY 57 N 4.10 2.90 3.68 3.38 0.00 -1.26 -5.04 105.19 112.94 1wh2 n GLY 57 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.37 0.89 0.36 1.61 0.41 -0.71 -5.02 118.70 115.87 1wh2 s GLU 58 Ca 0.00 0.94 -0.25 0.00 -0.41 0.00 0.00 54.97 55.25 1wh2 s GLU 58 Cb 0.00 -1.76 -0.09 0.00 -1.78 0.00 0.00 34.13 30.50 1wh2 s GLU 58 CO 0.00 -2.53 1.01 0.45 -0.49 0.00 0.00 175.26 173.70 1wh2 s SER 59 N -3.16 7.02 0.48 -0.19 0.15 -1.26 -4.91 113.70 111.84 1wh2 s SER 59 Ca 0.65 1.95 0.15 0.00 0.70 0.00 0.00 55.95 59.40 1wh2 s SER 59 Cb -0.20 -2.58 1.16 0.00 -1.71 0.00 0.00 66.02 62.69 1wh2 s SER 59 CO 0.58 -0.30 2.09 -0.03 1.20 0.00 0.00 173.24 176.78 1wh2 h MET 60 N 2.80 0.18 0.00 5.44 4.05 -1.95 -0.83 114.93 124.62 1wh2 h MET 60 Ca -0.48 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1wh2 h MET 60 Cb 1.20 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1wh2 h MET 60 CO 0.64 0.12 0.00 0.39 0.23 0.00 0.00 176.91 178.28 1wh2 n GLU 61 N -4.49 0.13 -0.19 0.39 1.02 -1.26 -1.53 120.64 114.70 1wh2 n GLU 61 Ca 0.02 0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1wh2 n GLU 61 Cb 0.19 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.35 1wh2 n GLU 61 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wh2 n SER 62 N -1.42 2.38 -4.64 1.62 7.64 -0.32 -4.99 113.62 113.88 1wh2 n SER 62 Ca 0.08 -1.93 -0.30 0.00 1.01 0.00 0.00 58.87 57.74 1wh2 n SER 62 Cb 0.27 -0.25 0.18 0.00 -1.01 0.00 0.00 64.21 63.39 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh2 s ALA 63 N -1.49 0.99 0.12 -0.43 0.00 -0.58 -4.91 121.76 115.46 1wh2 s ALA 63 Ca 0.32 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1wh2 s ALA 63 Cb 0.17 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1wh2 s ALA 63 CO 0.23 -2.87 -0.05 0.14 0.00 0.00 0.00 175.76 173.22 1wh2 s VAL 64 N -2.71 0.72 0.00 0.00 -7.23 -0.30 -4.91 120.40 105.97 1wh2 s VAL 64 Ca 0.66 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 1wh2 s VAL 64 Cb -0.21 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 1wh2 s VAL 64 CO 0.59 -0.76 1.49 -0.76 -0.31 0.00 0.00 175.10 175.35 1wh2 s LEU 65 N -3.09 4.32 0.49 1.32 1.43 -1.26 -1.42 118.68 120.48 1wh2 s LEU 65 Ca 0.15 2.20 0.25 0.00 -1.03 0.00 0.00 54.13 55.70 1wh2 s LEU 65 Cb 0.05 -3.56 1.31 0.00 0.03 0.00 0.00 46.19 44.03 1wh2 s LEU 65 CO -0.02 -0.79 1.92 0.25 0.23 0.00 0.00 176.35 177.93 1wh2 h LEU 66 N 8.73 0.14 -0.76 1.79 5.85 -1.68 -1.33 115.31 128.06 1wh2 h LEU 66 Ca -0.39 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1wh2 h LEU 66 Cb 1.18 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1wh2 h LEU 66 CO 0.92 0.06 0.38 0.71 -0.34 0.00 0.00 178.44 180.17 1wh2 h THR 67 N 0.15 1.24 -0.20 1.05 1.35 -1.90 0.86 112.91 115.45 1wh2 h THR 67 Ca 0.38 -0.66 -0.16 0.00 -0.55 0.00 0.00 66.41 65.41 1wh2 h THR 67 Cb 1.28 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1wh2 h THR 67 CO -0.06 0.28 -0.55 -0.78 -0.25 0.00 0.00 175.52 174.17 1wh2 h ASP 68 N 1.07 0.67 0.38 5.36 3.58 -1.64 -2.02 116.42 123.82 1wh2 h ASP 68 Ca 0.26 -0.36 -0.11 0.00 0.42 0.00 0.00 57.03 57.24 1wh2 h ASP 68 Cb 0.10 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1wh2 h ASP 68 CO -0.03 1.09 -0.48 0.58 -2.88 0.00 0.00 179.24 177.51 1wh2 h VAL 69 N 0.47 1.34 -0.06 2.25 2.07 -1.20 -0.25 116.25 120.87 1wh2 h VAL 69 Ca 0.01 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 65.88 1wh2 h VAL 69 Cb 1.10 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1wh2 h VAL 69 CO 0.11 0.49 -0.03 -0.07 0.02 0.00 0.00 177.57 178.08 1wh2 h LEU 70 N 0.10 -0.11 -0.31 2.57 4.07 -0.51 -1.18 115.31 119.94 1wh2 h LEU 70 Ca 0.00 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.00 1wh2 h LEU 70 Cb 0.88 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.67 1wh2 h LEU 70 CO 0.07 -0.05 0.19 -0.09 -1.08 0.00 0.00 178.44 177.48 1wh2 h ARG 71 N -0.03 0.37 -0.57 1.13 2.43 -1.00 -1.85 114.38 114.86 1wh2 h ARG 71 Ca 0.04 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1wh2 h ARG 71 Cb 0.09 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1wh2 h ARG 71 CO -0.08 0.25 0.12 -0.07 -1.51 0.00 0.00 179.97 178.68 1wh2 h LEU 72 N 0.38 0.88 -1.09 3.80 3.38 -0.90 -1.89 115.31 119.87 1wh2 h LEU 72 Ca 0.12 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1wh2 h LEU 72 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1wh2 h LEU 72 CO -0.05 0.89 0.02 -1.28 0.09 0.00 0.00 178.44 178.11 1wh2 h SER 73 N 0.82 0.62 -3.97 -0.43 0.87 -1.20 -3.48 113.55 106.78 1wh2 h SER 73 Ca 0.18 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1wh2 h SER 73 Cb 0.37 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1wh2 h SER 73 CO 0.00 0.68 -0.01 0.61 -0.53 0.00 0.00 176.83 177.59 1wh2 n GLY 74 N -0.79 -2.22 3.61 5.77 0.00 -0.70 -4.81 105.19 106.05 1wh2 n GLY 74 Ca 0.02 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.78 3.49 0.04 1.61 0.04 -1.26 -4.88 135.00 133.26 1wh2 s PRO 75 Ca 0.00 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.36 1wh2 s PRO 75 Cb 0.00 -4.14 0.03 0.00 0.04 0.00 0.00 34.50 30.43 1wh2 s PRO 75 CO 0.00 -1.67 0.34 -1.54 0.04 0.00 0.00 177.00 174.17 1wh2 s SER 76 N 5.39 -0.18 -0.27 6.66 1.04 -1.26 -5.06 113.70 120.02 1wh2 s SER 76 Ca 0.76 -0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.92 1wh2 s SER 76 Cb -0.23 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1wh2 s SER 76 CO 0.33 -0.63 0.34 -1.20 0.98 0.00 0.00 173.24 173.06 1wh2 n SER 77 N 0.58 -2.75 0.00 7.02 7.64 -1.26 -5.02 113.62 119.83 1wh2 n SER 77 Ca -0.19 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1wh2 n SER 77 Cb 0.59 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1wh2 n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64