#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 0.55 1.21 1.61 1.04 -1.26 -5.17 113.70 111.69 1wh2 s SER 2 Ca 0.00 -1.44 -0.20 0.00 0.48 0.00 0.00 55.95 54.79 1wh2 s SER 2 Cb 0.00 0.36 0.29 0.00 0.10 0.00 0.00 66.02 66.78 1wh2 s SER 2 CO 0.00 -0.85 1.12 -0.24 0.98 0.00 0.00 173.24 174.25 1wh2 n SER 3 N -0.47 -1.77 0.00 7.02 2.88 -1.26 -5.09 113.62 114.94 1wh2 n SER 3 Ca 0.02 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 1wh2 n SER 3 Cb 0.66 -1.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 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 -4.57 -1.75 2.61 0.46 0.00 -1.26 -5.08 105.19 95.59 1wh2 n GLY 4 Ca 0.15 1.01 -0.14 0.00 0.00 0.00 0.00 46.02 47.04 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 2.32 -3.59 1.61 7.64 -1.26 -5.04 113.62 115.31 1wh2 n SER 5 Ca 0.00 -2.98 -0.29 0.00 1.01 0.00 0.00 58.87 56.61 1wh2 n SER 5 Cb 0.00 -0.51 0.27 0.00 -1.01 0.00 0.00 64.21 62.96 1wh2 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh2 n SER 6 N -0.17 -3.52 0.00 6.43 7.64 -1.26 -4.90 113.62 117.85 1wh2 n SER 6 Ca 0.17 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.39 1wh2 n SER 6 Cb 0.78 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1wh2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh2 n GLY 7 N 1.76 0.59 0.82 0.23 0.00 -1.26 -5.16 105.19 102.18 1wh2 n GLY 7 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.19 -2.33 1.61 0.31 -1.26 -4.64 118.33 110.83 1wh2 n VAL 8 Ca 0.00 0.69 -0.42 0.00 -0.01 0.00 0.00 64.34 64.60 1wh2 n VAL 8 Cb 0.00 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1wh2 n VAL 8 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wh2 n ARG 9 N -2.52 3.95 -5.08 5.55 5.12 -1.26 -4.90 116.66 117.51 1wh2 n ARG 9 Ca -0.02 -3.63 -0.29 0.00 -1.93 0.00 0.00 57.85 51.98 1wh2 n ARG 9 Cb 0.30 -2.81 -0.15 0.00 -1.16 0.00 0.00 32.46 28.63 1wh2 n ARG 9 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1wh2 s VAL 10 N -0.35 1.87 -0.91 1.55 1.01 -1.26 -5.06 120.40 117.25 1wh2 s VAL 10 Ca 0.42 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1wh2 s VAL 10 Cb 0.11 -1.56 0.29 0.00 0.00 0.00 0.00 36.38 35.21 1wh2 s VAL 10 CO -0.01 0.47 1.21 0.18 0.00 0.00 0.00 175.10 176.95 1wh2 n LEU 11 N 2.34 5.42 -4.80 3.92 4.77 -1.26 -5.01 117.00 122.38 1wh2 n LEU 11 Ca -0.16 -5.31 -0.33 0.00 -0.03 0.00 0.00 56.01 50.18 1wh2 n LEU 11 Cb 0.52 -1.03 0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1wh2 n LEU 11 CO 0.23 1.85 0.72 -0.44 -1.33 0.00 0.00 177.39 178.42 1wh2 s SER 12 N -2.09 5.86 -0.39 -1.43 0.01 -1.26 -5.05 113.70 109.36 1wh2 s SER 12 Ca 0.35 1.83 -0.02 0.00 1.31 0.00 0.00 55.95 59.41 1wh2 s SER 12 Cb 0.09 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.89 1wh2 s SER 12 CO 0.06 -1.12 0.16 -0.31 0.41 0.00 0.00 173.24 172.44 1wh2 s TYR 13 N -2.40 3.57 0.55 2.43 1.51 -1.26 -5.10 117.35 116.65 1wh2 s TYR 13 Ca 0.64 -2.41 -0.21 0.00 -1.01 0.00 0.00 57.07 54.08 1wh2 s TYR 13 Cb -0.16 -3.05 -0.05 0.00 -0.11 0.00 0.00 41.96 38.60 1wh2 s TYR 13 CO 0.35 -0.95 1.29 -0.51 -1.11 0.00 0.00 175.55 174.62 1wh2 s ASP 14 N 1.64 5.34 0.00 2.29 1.01 -1.26 -4.96 116.67 120.73 1wh2 s ASP 14 Ca 0.07 2.61 0.00 0.00 0.71 0.00 0.00 52.55 55.94 1wh2 s ASP 14 Cb -0.22 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.09 1wh2 s ASP 14 CO -0.04 -1.51 0.57 2.29 0.21 0.00 0.00 175.17 176.69 1wh2 n LYS 15 N -1.12 0.73 -0.03 8.23 2.85 -1.26 -4.55 118.16 123.01 1wh2 n LYS 15 Ca 0.11 -0.74 -0.08 0.00 -1.05 0.00 0.00 58.31 56.56 1wh2 n LYS 15 Cb 0.47 -0.79 -0.03 0.00 -0.65 0.00 0.00 35.03 34.03 1wh2 n LYS 15 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wh2 n GLU 16 N -0.16 0.17 -0.99 -1.58 1.02 -1.26 -2.08 120.64 115.75 1wh2 n GLU 16 Ca 0.00 0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 1wh2 n GLU 16 Cb 0.25 -0.80 0.13 0.00 -0.02 0.00 0.00 31.44 31.00 1wh2 n GLU 16 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1wh2 s LYS 17 N -2.18 1.54 -0.46 3.49 -2.85 -1.26 -4.62 119.74 113.41 1wh2 s LYS 17 Ca -0.11 1.53 -0.21 0.00 -1.00 0.00 0.00 55.97 56.18 1wh2 s LYS 17 Cb 0.04 -1.79 0.03 0.00 -2.06 0.00 0.00 37.83 34.05 1wh2 s LYS 17 CO 0.14 -2.24 0.68 -0.51 0.10 0.00 0.00 175.35 173.52 1wh2 s LEU 18 N -6.11 4.50 0.00 2.77 1.43 -1.26 -4.14 118.68 115.87 1wh2 s LEU 18 Ca 0.68 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1wh2 s LEU 18 Cb -0.23 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1wh2 s LEU 18 CO 0.54 -0.84 0.02 -3.20 0.23 0.00 0.00 176.35 173.11 1wh2 n ASN 19 N 6.39 0.05 -4.06 2.29 5.15 -0.49 -4.70 115.26 119.89 1wh2 n ASN 19 Ca -0.01 -0.78 -0.28 0.00 -0.60 0.00 0.00 54.58 52.91 1wh2 n ASN 19 Cb 0.48 0.01 -0.17 0.00 -0.53 0.00 0.00 39.78 39.57 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 -0.01 1.91 0.33 1.20 0.52 -0.92 -1.75 118.94 120.22 1wh2 s TRP 20 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 56.10 55.28 1wh2 s TRP 20 Cb 0.00 -1.37 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1wh2 s TRP 20 CO 0.00 -0.43 0.51 -0.51 0.02 0.00 0.00 176.95 176.54 1wh2 s LEU 21 N 0.87 4.06 0.01 2.99 1.43 0.30 -0.29 118.68 128.04 1wh2 s LEU 21 Ca -0.09 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.29 1wh2 s LEU 21 Cb -0.15 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1wh2 s LEU 21 CO 0.00 -0.27 0.15 -0.72 0.23 0.00 0.00 176.35 175.75 1wh2 s TYR 22 N -2.25 0.04 -0.31 0.29 -0.85 -0.95 -2.62 117.35 110.70 1wh2 s TYR 22 Ca 0.39 -0.14 -0.20 0.00 -0.52 0.00 0.00 57.07 56.60 1wh2 s TYR 22 Cb -0.09 -0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 1wh2 s TYR 22 CO 0.35 -0.31 0.63 0.21 -1.52 0.00 0.00 175.55 174.91 1wh2 s LYS 23 N -1.52 3.88 1.02 -3.49 2.20 -1.26 -0.67 119.74 119.91 1wh2 s LYS 23 Ca -0.14 0.28 -0.15 0.00 -0.36 0.00 0.00 55.97 55.60 1wh2 s LYS 23 Cb -0.07 -3.73 0.20 0.00 -1.51 0.00 0.00 37.83 32.72 1wh2 s LYS 23 CO 0.01 -0.58 1.16 0.16 -0.36 0.00 0.00 175.35 175.74 1wh2 s ASP 24 N 1.65 2.51 0.00 1.43 1.47 0.10 -4.94 116.67 118.89 1wh2 s ASP 24 Ca 0.25 0.74 0.26 0.00 1.18 0.00 0.00 52.55 54.99 1wh2 s ASP 24 Cb -0.15 -1.12 1.25 0.00 -0.34 0.00 0.00 42.92 42.56 1wh2 s ASP 24 CO 0.12 -3.15 1.88 -0.81 0.68 0.00 0.00 175.17 173.88 1wh2 n PRO 25 N -4.13 0.23 0.00 2.11 -0.04 -1.26 -2.13 135.00 129.77 1wh2 n PRO 25 Ca 0.10 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.75 1wh2 n PRO 25 Cb 0.59 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.23 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 -1.37 0.67 -1.02 0.54 6.02 -1.26 -4.93 117.38 116.03 1wh2 n GLN 26 Ca 0.10 -0.17 -0.01 0.00 -0.01 0.00 0.00 57.00 56.91 1wh2 n GLN 26 Cb 0.25 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 1.25 0.48 3.83 1.08 0.00 -0.91 -5.04 105.19 105.88 1wh2 n GLY 27 Ca 0.15 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.17 4.42 -0.01 0.99 2.01 -1.26 -4.90 118.68 119.75 1wh2 s LEU 28 Ca 0.00 1.18 -0.30 0.00 0.01 0.00 0.00 54.13 55.02 1wh2 s LEU 28 Cb 0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 46.19 43.03 1wh2 s LEU 28 CO 0.00 0.17 1.00 -0.69 1.01 0.00 0.00 176.35 177.84 1wh2 s VAL 29 N -1.32 4.79 0.29 -1.59 1.01 -1.26 -0.72 120.40 121.60 1wh2 s VAL 29 Ca 0.35 2.01 0.07 0.00 0.00 0.00 0.00 61.98 64.41 1wh2 s VAL 29 Cb -0.17 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1wh2 s VAL 29 CO 0.19 0.13 0.22 -1.10 0.00 0.00 0.00 175.10 174.55 1wh2 s GLN 30 N 1.17 2.78 0.00 2.72 -1.52 0.16 -4.95 119.66 120.03 1wh2 s GLN 30 Ca 0.52 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.73 1wh2 s GLN 30 Cb -0.21 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 1wh2 s GLN 30 CO 0.27 0.25 0.00 0.41 -0.25 0.00 0.00 175.29 175.97 1wh2 n GLY 31 N -1.25 -1.81 3.90 3.09 0.00 -1.26 -2.25 105.19 105.62 1wh2 n GLY 31 Ca -0.05 -2.11 -0.29 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 -0.20 2.19 0.17 1.61 0.04 -1.26 -4.99 135.00 132.56 1wh2 s PRO 32 Ca 0.00 0.10 0.02 0.00 0.04 0.00 0.00 61.00 61.16 1wh2 s PRO 32 Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1wh2 s PRO 32 CO 0.00 -1.41 0.00 -0.06 0.04 0.00 0.00 177.00 175.58 1wh2 s PHE 33 N -3.46 1.22 0.49 0.56 0.08 0.60 -4.78 117.98 112.68 1wh2 s PHE 33 Ca 0.61 -1.02 -0.14 0.00 0.12 0.00 0.00 56.93 56.50 1wh2 s PHE 33 Cb -0.11 -0.69 -0.07 0.00 -0.57 0.00 0.00 43.02 41.58 1wh2 s PHE 33 CO 0.49 -0.21 0.92 -1.54 -0.10 0.00 0.00 175.22 174.78 1wh2 s SER 34 N -3.17 6.55 0.32 1.36 1.04 -1.26 -1.39 113.70 117.15 1wh2 s SER 34 Ca 0.24 1.42 0.06 0.00 0.48 0.00 0.00 55.95 58.14 1wh2 s SER 34 Cb 0.06 -2.45 0.56 0.00 0.10 0.00 0.00 66.02 64.30 1wh2 s SER 34 CO 0.04 -0.56 1.80 -0.07 0.98 0.00 0.00 173.24 175.44 1wh2 h LEU 35 N 0.90 0.37 -0.33 2.42 3.38 -1.79 -0.88 115.31 119.37 1wh2 h LEU 35 Ca -0.47 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 1wh2 h LEU 35 Cb 1.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1wh2 h LEU 35 CO 0.62 0.58 0.12 0.74 0.09 0.00 0.00 178.44 180.59 1wh2 h THR 36 N 0.35 1.19 -0.42 0.22 2.02 -1.78 0.46 112.91 114.95 1wh2 h THR 36 Ca 0.06 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1wh2 h THR 36 Cb 0.54 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1wh2 h THR 36 CO 0.04 0.21 0.11 1.56 0.37 0.00 0.00 175.52 177.80 1wh2 h GLN 37 N 0.38 0.67 -0.92 6.66 4.20 -1.78 0.81 115.11 125.12 1wh2 h GLN 37 Ca 0.11 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1wh2 h GLN 37 Cb 0.21 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1wh2 h GLN 37 CO -0.01 0.68 0.61 -0.07 -0.67 0.00 0.00 178.83 179.37 1wh2 h LEU 38 N 0.54 1.05 1.00 1.46 3.38 -1.03 0.49 115.31 122.20 1wh2 h LEU 38 Ca 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1wh2 h LEU 38 Cb 0.30 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1wh2 h LEU 38 CO 0.00 0.76 -0.48 0.50 0.09 0.00 0.00 178.44 179.31 1wh2 h LYS 39 N 1.24 -1.29 -0.34 1.13 3.64 -0.70 -2.09 116.57 118.16 1wh2 h LYS 39 Ca 0.34 0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.88 1wh2 h LYS 39 Cb -0.13 0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1wh2 h LYS 39 CO -0.08 -0.86 0.24 0.00 -2.27 0.00 0.00 179.45 176.48 1wh2 h ALA 40 N -1.36 2.15 -0.05 5.00 0.00 -0.48 0.56 119.26 125.08 1wh2 h ALA 40 Ca -0.14 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.53 1wh2 h ALA 40 Cb 1.03 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wh2 h ALA 40 CO 0.23 -0.23 -0.88 -1.49 0.00 0.00 0.00 179.25 176.88 1wh2 h TRP 41 N 0.13 0.97 -0.71 0.00 6.55 -0.89 0.90 115.95 122.91 1wh2 h TRP 41 Ca 0.16 -0.50 -0.07 0.00 0.95 0.00 0.00 58.89 59.43 1wh2 h TRP 41 Cb 0.45 -0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 28.60 1wh2 h TRP 41 CO -0.00 1.33 0.18 1.03 -1.05 0.00 0.00 178.44 179.92 1wh2 h SER 42 N 0.34 1.06 -0.06 -3.49 0.87 -0.56 -0.17 113.55 111.55 1wh2 h SER 42 Ca -0.10 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.26 1wh2 h SER 42 Cb 1.53 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1wh2 h SER 42 CO 0.17 1.02 -0.06 -0.78 -0.53 0.00 0.00 176.83 176.66 1wh2 h ASP 43 N 1.07 -0.17 0.00 6.23 1.82 -0.90 -2.05 116.42 122.42 1wh2 h ASP 43 Ca 0.22 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 1wh2 h ASP 43 Cb 0.37 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1wh2 h ASP 43 CO 0.00 -0.08 0.00 0.00 -1.61 0.00 0.00 179.24 177.55 1wh2 n ALA 44 N -2.29 2.02 -1.13 -0.78 0.00 0.31 -4.86 120.51 113.78 1wh2 n ALA 44 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1wh2 n ALA 44 Cb 0.11 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.14 -1.32 0.00 0.00 -0.58 -0.77 -4.88 120.64 112.95 1wh2 n GLU 45 Ca 0.00 0.56 0.10 0.00 -0.42 0.00 0.00 57.16 57.40 1wh2 n GLU 45 Cb 0.08 -4.65 0.45 0.00 -0.57 0.00 0.00 31.44 26.75 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 -2.37 0.00 -4.26 -0.32 4.01 -0.12 -4.87 117.16 109.23 1wh2 n TYR 46 Ca -0.04 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.58 1wh2 n TYR 46 Cb 0.40 -0.49 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 1wh2 n TYR 46 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1wh2 n PHE 47 N -1.49 0.37 -4.41 -0.72 3.72 -1.25 -4.96 117.46 108.72 1wh2 n PHE 47 Ca 0.05 -0.91 -0.20 0.00 -0.05 0.00 0.00 57.45 56.34 1wh2 n PHE 47 Cb 0.24 -0.10 -0.10 0.00 -0.94 0.00 0.00 39.48 38.57 1wh2 n PHE 47 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1wh2 s THR 48 N -1.72 1.13 0.46 4.37 -4.23 -1.26 -5.01 115.64 109.37 1wh2 s THR 48 Ca 0.01 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 58.73 1wh2 s THR 48 Cb 0.00 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.46 1wh2 s THR 48 CO 0.01 -0.10 2.08 0.11 -0.54 0.00 0.00 174.62 176.17 1wh2 h LYS 49 N 2.24 0.00 -0.53 3.99 1.79 -2.02 -2.84 116.57 119.21 1wh2 h LYS 49 Ca -0.40 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.82 1wh2 h LYS 49 Cb 1.24 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.74 1wh2 h LYS 49 CO 0.67 0.12 0.13 1.04 -1.08 0.00 0.00 179.45 180.33 1wh2 n GLN 50 N -3.94 2.12 -2.72 3.15 6.02 -1.26 -4.96 117.38 115.79 1wh2 n GLN 50 Ca -0.02 -3.11 -0.40 0.00 -0.01 0.00 0.00 57.00 53.45 1wh2 n GLN 50 Cb 0.21 -1.93 -0.06 0.00 1.02 0.00 0.00 30.24 29.48 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 -3.22 3.93 0.12 1.08 2.19 -1.07 -5.03 117.98 115.98 1wh2 s PHE 51 Ca 0.48 1.88 0.04 0.00 0.33 0.00 0.00 56.93 59.66 1wh2 s PHE 51 Cb 0.42 -3.02 -0.04 0.00 -1.31 0.00 0.00 43.02 39.07 1wh2 s PHE 51 CO 0.04 0.32 -0.09 1.03 1.83 0.00 0.00 175.22 178.35 1wh2 s ARG 52 N -1.11 0.94 0.11 10.12 3.00 -1.26 -1.76 118.95 128.99 1wh2 s ARG 52 Ca 0.42 -1.33 0.03 0.00 0.00 0.00 0.00 55.73 54.85 1wh2 s ARG 52 Cb -0.26 -0.51 -0.04 0.00 0.00 0.00 0.00 34.95 34.13 1wh2 s ARG 52 CO 0.33 0.06 -0.09 0.14 0.00 0.00 0.00 175.30 175.74 1wh2 s VAL 53 N -3.07 0.89 0.07 3.52 -7.23 -0.82 -4.59 120.40 109.17 1wh2 s VAL 53 Ca 0.12 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1wh2 s VAL 53 Cb 0.01 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1wh2 s VAL 53 CO -0.01 -0.72 -0.07 -1.66 -0.31 0.00 0.00 175.10 172.33 1wh2 s TRP 54 N -3.09 0.74 0.73 2.82 -2.14 -1.08 -1.39 118.94 115.53 1wh2 s TRP 54 Ca 0.10 -0.74 -0.11 0.00 2.66 0.00 0.00 56.10 58.01 1wh2 s TRP 54 Cb 0.01 -0.44 0.03 0.00 -3.10 0.00 0.00 33.47 29.97 1wh2 s TRP 54 CO -0.02 -0.14 1.10 -1.64 -2.66 0.00 0.00 176.95 173.59 1wh2 s MET 55 N -2.80 2.65 0.64 3.25 -1.94 -1.26 -0.54 119.30 119.30 1wh2 s MET 55 Ca 0.01 0.48 -0.18 0.00 -1.71 0.00 0.00 55.69 54.29 1wh2 s MET 55 Cb -0.02 -2.00 -0.02 0.00 2.01 0.00 0.00 34.83 34.81 1wh2 s MET 55 CO -0.03 -1.18 1.22 0.25 -0.01 0.00 0.00 175.02 175.26 1wh2 n THR 56 N -3.11 4.70 0.00 2.05 -2.24 -0.72 -2.76 114.28 112.20 1wh2 n THR 56 Ca 0.07 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1wh2 n THR 56 Cb 0.57 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 1.01 2.00 3.80 3.38 0.00 -1.26 -4.98 105.19 109.13 1wh2 n GLY 57 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 0.51 0.32 1.61 0.41 -1.11 -5.06 118.70 115.39 1wh2 s GLU 58 Ca 0.00 -0.03 -0.26 0.00 -0.41 0.00 0.00 54.97 54.26 1wh2 s GLU 58 Cb 0.00 -1.80 -0.10 0.00 -1.78 0.00 0.00 34.13 30.46 1wh2 s GLU 58 CO 0.00 -2.56 0.95 -1.54 -0.49 0.00 0.00 175.26 171.62 1wh2 s SER 59 N -4.33 7.34 0.24 -0.19 1.04 -1.26 -4.95 113.70 111.59 1wh2 s SER 59 Ca 0.69 1.84 -0.07 0.00 0.48 0.00 0.00 55.95 58.89 1wh2 s SER 59 Cb -0.10 -2.58 0.22 0.00 0.10 0.00 0.00 66.02 63.66 1wh2 s SER 59 CO 0.53 -0.07 1.88 -0.03 0.98 0.00 0.00 173.24 176.53 1wh2 h MET 60 N 3.18 1.27 0.00 4.02 4.05 -1.97 -2.55 114.93 122.92 1wh2 h MET 60 Ca -0.47 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 58.83 1wh2 h MET 60 Cb 1.19 -0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.73 1wh2 h MET 60 CO 0.65 0.90 0.00 0.39 0.23 0.00 0.00 176.91 179.08 1wh2 n GLU 61 N -4.35 0.13 0.00 0.39 1.02 -1.26 -1.12 120.64 115.45 1wh2 n GLU 61 Ca 0.10 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.61 1wh2 n GLU 61 Cb 0.07 -1.70 0.69 0.00 -0.02 0.00 0.00 31.44 30.48 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 -1.94 0.00 -4.71 1.62 2.88 -0.96 -4.91 113.62 105.59 1wh2 n SER 62 Ca 0.04 -0.47 -0.40 0.00 -1.33 0.00 0.00 58.87 56.71 1wh2 n SER 62 Cb 0.29 -0.13 0.03 0.00 -0.75 0.00 0.00 64.21 63.66 1wh2 n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh2 n ALA 63 N -1.13 1.30 -2.53 -1.46 0.00 -0.27 -4.94 120.51 111.49 1wh2 n ALA 63 Ca 0.16 0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.55 1wh2 n ALA 63 Cb 0.13 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.24 1wh2 n ALA 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1wh2 s VAL 64 N -1.27 3.13 0.21 0.00 -7.23 -0.49 -4.89 120.40 109.86 1wh2 s VAL 64 Ca 0.67 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.88 1wh2 s VAL 64 Cb -0.46 -3.01 -0.10 0.00 0.56 0.00 0.00 36.38 33.38 1wh2 s VAL 64 CO 0.53 -0.19 1.44 -0.76 -0.31 0.00 0.00 175.10 175.81 1wh2 s LEU 65 N -3.86 4.38 0.55 1.32 1.43 -1.26 -1.94 118.68 119.30 1wh2 s LEU 65 Ca 0.38 2.57 0.22 0.00 -1.03 0.00 0.00 54.13 56.27 1wh2 s LEU 65 Cb -0.03 -3.61 1.47 0.00 0.03 0.00 0.00 46.19 44.05 1wh2 s LEU 65 CO 0.23 -0.70 2.16 0.25 0.23 0.00 0.00 176.35 178.52 1wh2 h LEU 66 N 5.67 0.00 -0.58 1.79 5.85 -1.66 -2.19 115.31 124.19 1wh2 h LEU 66 Ca -0.45 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 1wh2 h LEU 66 Cb 1.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1wh2 h LEU 66 CO 0.82 0.00 -0.13 0.71 -0.34 0.00 0.00 178.44 179.50 1wh2 h THR 67 N 0.00 1.27 -0.04 1.05 1.35 -1.91 -0.19 112.91 114.44 1wh2 h THR 67 Ca 0.03 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1wh2 h THR 67 Cb 0.15 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1wh2 h THR 67 CO -0.00 0.45 0.02 0.44 -0.25 0.00 0.00 175.52 176.18 1wh2 h ASP 68 N 0.88 0.04 -0.86 5.36 3.32 -1.79 -1.45 116.42 121.93 1wh2 h ASP 68 Ca 0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1wh2 h ASP 68 Cb 0.69 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1wh2 h ASP 68 CO 0.05 0.04 0.50 0.58 -1.72 0.00 0.00 179.24 178.69 1wh2 h VAL 69 N 0.04 1.25 0.00 -1.35 2.07 -1.33 0.12 116.25 117.06 1wh2 h VAL 69 Ca 0.01 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1wh2 h VAL 69 Cb 0.00 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1wh2 h VAL 69 CO -0.00 0.27 0.00 -0.07 0.02 0.00 0.00 177.57 177.78 1wh2 h LEU 70 N 1.20 0.00 0.00 2.57 4.07 -0.54 0.88 115.31 123.49 1wh2 h LEU 70 Ca 0.31 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.08 1wh2 h LEU 70 Cb -0.01 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1wh2 h LEU 70 CO -0.05 0.00 -0.99 -0.09 -1.08 0.00 0.00 178.44 176.23 1wh2 h ARG 71 N 0.00 0.00 0.00 1.13 2.43 -0.14 -3.39 114.38 114.41 1wh2 h ARG 71 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wh2 h ARG 71 Cb 0.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1wh2 h ARG 71 CO 0.00 1.00 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.38 1wh2 h LEU 72 N -1.00 0.00 -7.59 3.80 3.38 -0.26 -3.27 115.31 110.37 1wh2 h LEU 72 Ca -0.27 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.99 1wh2 h LEU 72 Cb 1.24 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 1wh2 h LEU 72 CO -0.17 0.01 1.96 -1.20 0.09 0.00 0.00 178.44 179.13 1wh2 n SER 73 N -3.92 4.97 -4.17 -0.43 7.64 0.26 -4.88 113.62 113.10 1wh2 n SER 73 Ca -0.03 -2.95 -0.10 0.00 1.01 0.00 0.00 58.87 56.80 1wh2 n SER 73 Cb 0.09 -1.66 -0.10 0.00 -1.01 0.00 0.00 64.21 61.53 1wh2 n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh2 s GLY 74 N 3.44 0.83 -1.31 0.23 0.00 -1.24 -4.92 107.32 104.35 1wh2 s GLY 74 Ca 0.49 -1.39 -0.17 0.00 0.00 0.00 0.00 44.72 43.65 1wh2 s GLY 74 CO 0.03 -1.43 1.77 -1.55 0.00 0.00 0.00 173.10 171.92 1wh2 n PRO 75 N -0.06 3.18 -4.35 2.90 -0.04 -1.26 -4.91 135.00 130.46 1wh2 n PRO 75 Ca -0.11 -3.25 -0.29 0.00 -0.04 0.00 0.00 63.50 59.81 1wh2 n PRO 75 Cb 0.62 -3.45 -0.12 0.00 -0.04 0.00 0.00 33.50 30.50 1wh2 n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh2 s SER 76 N 4.04 3.63 -0.38 3.54 0.15 -1.26 -5.09 113.70 118.33 1wh2 s SER 76 Ca 0.53 -0.66 0.05 0.00 0.70 0.00 0.00 55.95 56.56 1wh2 s SER 76 Cb 0.05 -0.39 0.17 0.00 -1.71 0.00 0.00 66.02 64.13 1wh2 s SER 76 CO 0.06 0.17 0.48 -0.94 1.20 0.00 0.00 173.24 174.22 1wh2 s SER 77 N -2.17 -0.03 0.00 5.45 1.04 -1.26 -5.16 113.70 111.56 1wh2 s SER 77 Ca 0.17 -1.14 0.29 0.00 0.48 0.00 0.00 55.95 55.74 1wh2 s SER 77 Cb -0.10 1.19 1.22 0.00 0.10 0.00 0.00 66.02 68.43 1wh2 s SER 77 CO 0.09 -0.23 1.84 0.61 0.98 0.00 0.00 173.24 176.52