#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 s GLU 2 N 0.00 0.93 -0.09 2.12 -1.05 -1.26 -4.19 118.70 115.16 2wh2 s GLU 2 Ca 0.00 -0.11 0.01 0.00 -0.15 0.00 0.00 54.97 54.72 2wh2 s GLU 2 Cb 0.00 0.43 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2wh2 s GLU 2 CO 0.00 -0.30 -0.10 0.00 0.95 0.00 0.00 175.26 175.81 2wh2 s ALA 3 N -1.82 1.31 0.67 -0.84 0.00 0.07 -4.90 121.76 116.24 2wh2 s ALA 3 Ca -0.09 -0.50 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 2wh2 s ALA 3 Cb -0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 2wh2 s ALA 3 CO 0.03 -0.18 1.05 0.15 0.00 0.00 0.00 175.76 176.81 2wh2 s LYS 4 N 1.23 3.18 0.00 0.00 1.02 -1.26 -0.05 119.74 123.85 2wh2 s LYS 4 Ca -0.04 0.88 0.00 0.00 0.02 0.00 0.00 55.97 56.83 2wh2 s LYS 4 Cb -0.14 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2wh2 s LYS 4 CO -0.03 -0.91 0.00 0.00 -0.92 0.00 0.00 175.35 173.49 2wh2 n ALA 5 N -2.99 0.61 -1.70 5.17 0.00 -0.95 -4.62 120.51 116.02 2wh2 n ALA 5 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 2wh2 n ALA 5 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 2wh2 n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wh2 n ILE 6 N 0.00 -5.97 -4.00 0.00 5.41 -1.21 -4.87 119.36 108.72 2wh2 n ILE 6 Ca 0.00 0.92 -0.31 0.00 1.00 0.00 0.00 62.75 64.36 2wh2 n ILE 6 Cb 0.00 -4.31 -0.15 0.00 -0.71 0.00 0.00 39.64 34.47 2wh2 n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wh2 s ALA 7 N -0.20 2.86 0.52 -1.39 0.00 -0.59 -4.96 121.76 118.00 2wh2 s ALA 7 Ca -0.06 -2.55 -0.08 0.00 0.00 0.00 0.00 51.96 49.27 2wh2 s ALA 7 Cb 0.00 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 2wh2 s ALA 7 CO 0.17 -1.71 0.86 1.03 0.00 0.00 0.00 175.76 176.11 2wh2 s ARG 8 N 0.86 3.59 -1.31 0.00 0.52 -1.26 -1.60 118.95 119.75 2wh2 s ARG 8 Ca 0.11 0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 55.72 2wh2 s ARG 8 Cb -0.19 -2.28 0.01 0.00 0.52 0.00 0.00 34.95 33.00 2wh2 s ARG 8 CO -0.08 -0.30 0.82 0.66 0.02 0.00 0.00 175.30 176.42 2wh2 n TYR 9 N -2.30 -2.06 -3.11 -0.53 0.53 -0.98 -4.94 117.16 103.77 2wh2 n TYR 9 Ca 0.03 0.88 -0.43 0.00 -1.02 0.00 0.00 57.90 57.36 2wh2 n TYR 9 Cb 0.55 -4.54 -0.07 0.00 -1.03 0.00 0.00 39.34 34.25 2wh2 n TYR 9 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 2wh2 s VAL 10 N -3.55 4.84 -0.88 -0.72 1.01 0.13 -4.85 120.40 116.39 2wh2 s VAL 10 Ca 0.10 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 62.07 2wh2 s VAL 10 Cb -0.05 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 31.99 2wh2 s VAL 10 CO 0.79 -0.52 2.31 -1.14 0.00 0.00 0.00 175.10 176.54 2wh2 n ARG 11 N 6.21 0.40 -3.65 2.72 0.00 -1.26 -1.06 116.66 120.01 2wh2 n ARG 11 Ca -0.02 -1.08 -0.01 0.00 -0.00 0.00 0.00 57.85 56.75 2wh2 n ARG 11 Cb 0.48 -3.68 -0.07 0.00 0.00 0.00 0.00 32.46 29.20 2wh2 n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2wh2 s ILE 12 N 15.13 0.00 0.38 5.15 2.07 -1.07 -4.99 121.20 137.87 2wh2 s ILE 12 Ca 0.90 0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.86 2wh2 s ILE 12 Cb -0.12 -1.00 -0.10 0.00 0.13 0.00 0.00 42.46 41.36 2wh2 s ILE 12 CO 0.13 0.00 1.44 -0.55 -1.91 0.00 0.00 174.94 174.04 2wh2 s SER 13 N 0.37 6.32 0.09 4.50 0.15 -1.24 -2.88 113.70 121.01 2wh2 s SER 13 Ca 0.02 2.95 -0.32 0.00 0.70 0.00 0.00 55.95 59.31 2wh2 s SER 13 Cb -0.04 -2.66 -0.15 0.00 -1.71 0.00 0.00 66.02 61.46 2wh2 s SER 13 CO -0.14 -0.88 1.62 -0.65 1.20 0.00 0.00 173.24 174.39 2wh2 h PRO 14 N 2.92 -0.76 -1.09 5.44 0.11 -1.89 -2.65 132.00 134.08 2wh2 h PRO 14 Ca -0.50 0.05 0.38 0.00 0.11 0.00 0.00 66.00 66.03 2wh2 h PRO 14 Cb 1.24 0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.38 2wh2 h PRO 14 CO 0.64 -0.51 0.64 0.00 -0.21 0.00 0.00 178.00 178.56 2wh2 h ARG 15 N -0.79 0.17 0.50 1.05 3.08 -1.97 0.60 114.38 117.02 2wh2 h ARG 15 Ca -0.05 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2wh2 h ARG 15 Cb 0.68 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2wh2 h ARG 15 CO 0.00 0.11 -0.24 0.87 -1.07 0.00 0.00 179.97 179.65 2wh2 h LYS 16 N 0.18 -0.65 0.00 0.04 1.79 -1.86 -3.12 116.57 112.96 2wh2 h LYS 16 Ca 0.78 0.04 -0.21 0.00 -2.18 0.00 0.00 60.65 59.09 2wh2 h LYS 16 Cb 2.06 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 32.85 2wh2 h LYS 16 CO -0.59 -0.43 -0.90 -0.39 -1.08 0.00 0.00 179.45 176.06 2wh2 h VAL 17 N -0.68 1.47 -1.05 0.50 -1.51 -0.64 -3.06 116.25 111.28 2wh2 h VAL 17 Ca -0.07 -2.58 0.29 0.00 -1.23 0.00 0.00 66.70 63.11 2wh2 h VAL 17 Cb 0.52 2.46 -0.12 0.00 -2.13 0.00 0.00 31.29 32.02 2wh2 h VAL 17 CO 0.11 0.76 0.64 0.03 -1.23 0.00 0.00 177.57 177.88 2wh2 h ARG 18 N 0.14 0.40 -0.33 5.19 3.08 0.03 0.82 114.38 123.70 2wh2 h ARG 18 Ca -0.06 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.03 2wh2 h ARG 18 Cb 1.53 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 2wh2 h ARG 18 CO 0.14 0.26 0.23 -0.07 -1.07 0.00 0.00 179.97 179.46 2wh2 h LEU 19 N 0.41 0.19 0.00 3.04 4.07 -1.47 -1.42 115.31 120.12 2wh2 h LEU 19 Ca 0.67 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.56 2wh2 h LEU 19 Cb 1.57 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.26 2wh2 h LEU 19 CO -0.43 0.13 -0.42 0.58 -1.08 0.00 0.00 178.44 177.22 2wh2 h VAL 20 N 0.22 1.11 -0.61 1.22 2.07 0.45 -3.30 116.25 117.41 2wh2 h VAL 20 Ca 0.15 -1.98 0.12 0.00 0.82 0.00 0.00 66.70 65.80 2wh2 h VAL 20 Cb 0.31 2.24 -0.12 0.00 -1.52 0.00 0.00 31.29 32.21 2wh2 h VAL 20 CO -0.03 0.38 -0.27 0.58 0.02 0.00 0.00 177.57 178.25 2wh2 h VAL 21 N -1.00 0.23 -1.09 2.57 2.07 -1.03 1.00 116.25 119.00 2wh2 h VAL 21 Ca -0.10 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.72 2wh2 h VAL 21 Cb 0.90 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2wh2 h VAL 21 CO -0.06 0.00 0.76 0.44 0.02 0.00 0.00 177.57 178.72 2wh2 h ASP 22 N -0.10 0.16 0.34 0.57 3.45 -1.41 0.22 116.42 119.65 2wh2 h ASP 22 Ca 0.27 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.76 2wh2 h ASP 22 Cb 0.53 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 2wh2 h ASP 22 CO -0.68 0.03 0.00 -0.11 -1.57 0.00 0.00 179.24 176.91 2wh2 n LEU 23 N -4.35 0.00 0.00 1.55 7.94 0.35 -3.48 117.00 119.00 2wh2 n LEU 23 Ca 0.24 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 2wh2 n LEU 23 Cb 1.08 -0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.72 2wh2 n LEU 23 CO 0.35 -0.14 0.04 2.30 -1.11 0.00 0.00 177.39 178.83 2wh2 n ILE 24 N -1.31 0.00 -1.66 1.96 -5.35 0.73 -4.98 119.36 108.75 2wh2 n ILE 24 Ca 0.07 -0.18 -0.50 0.00 -0.27 0.00 0.00 62.75 61.88 2wh2 n ILE 24 Cb 0.14 1.29 -0.05 0.00 -1.74 0.00 0.00 39.64 39.27 2wh2 n ILE 24 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2wh2 n ARG 25 N -0.20 1.78 -3.20 6.28 0.63 -0.98 -2.83 116.66 118.13 2wh2 n ARG 25 Ca 0.00 0.65 -0.15 0.00 -0.92 0.00 0.00 57.85 57.43 2wh2 n ARG 25 Cb 0.07 -2.40 0.07 0.00 0.45 0.00 0.00 32.46 30.65 2wh2 n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wh2 n GLY 26 N 3.67 -1.07 3.01 5.14 0.00 -0.09 -5.01 105.19 110.85 2wh2 n GLY 26 Ca 0.21 0.54 -0.12 0.00 0.00 0.00 0.00 46.02 46.64 2wh2 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s LYS 27 N -4.38 0.16 0.01 1.61 1.02 -1.13 -4.87 119.74 112.15 2wh2 s LYS 27 Ca 0.43 0.19 -0.37 0.00 0.02 0.00 0.00 55.97 56.23 2wh2 s LYS 27 Cb -0.06 0.08 -0.19 0.00 -0.52 0.00 0.00 37.83 37.14 2wh2 s LYS 27 CO 0.71 -0.02 0.99 -1.13 -0.92 0.00 0.00 175.35 174.99 2wh2 n SER 28 N 3.01 -0.04 -0.34 2.83 3.41 -1.26 -2.10 113.62 119.12 2wh2 n SER 28 Ca -0.12 1.09 0.05 0.00 -0.26 0.00 0.00 58.87 59.63 2wh2 n SER 28 Cb 0.59 -0.87 0.13 0.00 -0.26 0.00 0.00 64.21 63.80 2wh2 n SER 28 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2wh2 h LEU 29 N 2.77 -0.90 -0.09 1.04 5.85 -1.67 0.41 115.31 122.72 2wh2 h LEU 29 Ca -0.47 0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2wh2 h LEU 29 Cb 1.35 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 42.93 2wh2 h LEU 29 CO 0.61 -0.32 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.14 2wh2 h GLU 30 N -0.00 -0.22 -0.26 1.25 4.81 -1.86 -1.96 114.58 116.33 2wh2 h GLU 30 Ca 0.46 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.73 2wh2 h GLU 30 Cb 0.70 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 2wh2 h GLU 30 CO -0.99 -0.15 -0.29 1.49 -0.73 0.00 0.00 179.01 178.35 2wh2 h GLU 31 N -0.23 -0.16 -0.92 1.92 4.57 -1.25 -0.79 114.58 117.72 2wh2 h GLU 31 Ca 0.08 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.44 2wh2 h GLU 31 Cb 0.35 0.04 -0.16 0.00 -0.16 0.00 0.00 28.75 28.81 2wh2 h GLU 31 CO -0.22 -0.11 -0.31 0.00 -1.18 0.00 0.00 179.01 177.19 2wh2 h ALA 32 N -0.59 0.35 -0.96 2.92 0.00 -1.15 0.71 119.26 120.54 2wh2 h ALA 32 Ca 0.04 0.30 0.12 0.00 0.00 0.00 0.00 54.91 55.38 2wh2 h ALA 32 Cb 0.28 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2wh2 h ALA 32 CO -0.33 -0.52 0.61 0.00 0.00 0.00 0.00 179.25 179.01 2wh2 h ARG 33 N -0.02 0.88 0.38 0.00 3.08 -0.41 0.23 114.38 118.51 2wh2 h ARG 33 Ca 0.38 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 2wh2 h ARG 33 Cb 0.63 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2wh2 h ARG 33 CO -0.94 0.59 -0.18 -0.91 -1.07 0.00 0.00 179.97 177.46 2wh2 h ASN 34 N 0.91 -0.43 -0.05 7.04 -0.26 0.14 -1.41 115.58 121.53 2wh2 h ASN 34 Ca 0.47 -0.14 0.01 0.00 -0.56 0.00 0.00 56.30 56.08 2wh2 h ASN 34 Cb 0.52 0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.86 2wh2 h ASN 34 CO -0.23 -0.05 -0.21 0.40 -1.06 0.00 0.00 177.43 176.28 2wh2 h ILE 35 N -0.86 0.00 -0.44 2.81 2.04 -0.07 -2.03 117.51 118.95 2wh2 h ILE 35 Ca -0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.90 2wh2 h ILE 35 Cb 0.54 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 2wh2 h ILE 35 CO 0.08 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.96 2wh2 h LEU 36 N -0.23 -0.71 -0.86 1.44 3.38 -0.69 -1.26 115.31 116.38 2wh2 h LEU 36 Ca 0.01 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.37 2wh2 h LEU 36 Cb 0.27 0.39 -0.16 0.00 0.09 0.00 0.00 40.66 41.24 2wh2 h LEU 36 CO -0.17 -0.24 -0.05 -1.14 0.09 0.00 0.00 178.44 176.93 2wh2 n ARG 37 N -5.39 -0.07 -0.57 1.13 3.00 -0.53 -1.27 116.66 112.95 2wh2 n ARG 37 Ca 0.03 1.31 0.04 0.00 -0.00 0.00 0.00 57.85 59.23 2wh2 n ARG 37 Cb 0.30 -2.04 0.25 0.00 0.00 0.00 0.00 32.46 30.96 2wh2 n ARG 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wh2 n TYR 38 N -5.30 1.09 -3.25 -0.14 4.01 -0.56 -4.98 117.16 108.03 2wh2 n TYR 38 Ca 0.18 -1.09 -0.38 0.00 -0.16 0.00 0.00 57.90 56.45 2wh2 n TYR 38 Cb 0.60 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 2wh2 n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wh2 s THR 39 N -2.95 5.03 -1.27 -0.72 2.01 -0.40 -5.01 115.64 112.34 2wh2 s THR 39 Ca 0.44 1.12 -0.08 0.00 0.31 0.00 0.00 61.69 63.48 2wh2 s THR 39 Cb 0.37 -3.88 0.18 0.00 0.01 0.00 0.00 72.50 69.17 2wh2 s THR 39 CO 0.07 0.38 1.90 -3.20 -0.69 0.00 0.00 174.62 173.08 2wh2 n ASN 40 N 3.09 5.55 -3.69 3.53 5.15 -1.26 -4.84 115.26 122.80 2wh2 n ASN 40 Ca -0.07 -3.15 -0.14 0.00 -0.60 0.00 0.00 54.58 50.63 2wh2 n ASN 40 Cb 0.51 -1.44 -0.09 0.00 -0.53 0.00 0.00 39.78 38.23 2wh2 n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wh2 s LYS 41 N -0.11 0.64 0.51 1.20 -0.14 -1.26 -5.02 119.74 115.55 2wh2 s LYS 41 Ca 0.40 0.67 0.25 0.00 -1.36 0.00 0.00 55.97 55.93 2wh2 s LYS 41 Cb 0.10 0.31 1.34 0.00 -1.68 0.00 0.00 37.83 37.90 2wh2 s LYS 41 CO 0.00 -0.09 1.94 -0.09 -0.76 0.00 0.00 175.35 176.35 2wh2 h ARG 42 N 5.14 0.10 -0.45 1.68 2.43 -1.97 -1.10 114.38 120.21 2wh2 h ARG 42 Ca -0.28 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 2wh2 h ARG 42 Cb 1.17 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2wh2 h ARG 42 CO 0.19 0.07 0.12 0.78 -1.51 0.00 0.00 179.97 179.62 2wh2 h GLY 43 N 0.10 0.73 -0.33 2.80 0.00 -1.95 -3.20 103.07 101.22 2wh2 h GLY 43 Ca 0.35 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.37 2wh2 h GLY 43 CO -0.04 0.37 -0.40 0.00 0.00 0.00 0.00 176.54 176.47 2wh2 h ALA 44 N 1.47 -0.30 -0.67 3.60 0.00 -1.52 -1.53 119.26 120.31 2wh2 h ALA 44 Ca 0.15 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.29 2wh2 h ALA 44 Cb 0.24 0.86 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 2wh2 h ALA 44 CO -0.00 -0.80 -0.24 -0.92 0.00 0.00 0.00 179.25 177.28 2wh2 h TYR 45 N -0.27 -0.59 -0.07 0.00 3.20 -1.72 0.45 116.97 117.97 2wh2 h TYR 45 Ca 0.17 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2wh2 h TYR 45 Cb 0.57 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 2wh2 h TYR 45 CO -0.63 -0.34 0.02 0.74 -1.64 0.00 0.00 178.16 176.32 2wh2 h PHE 46 N -0.06 0.12 -0.38 -3.82 0.04 -1.51 -2.22 116.94 109.10 2wh2 h PHE 46 Ca 0.30 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.08 2wh2 h PHE 46 Cb 0.53 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 2wh2 h PHE 46 CO -0.60 0.28 0.20 0.28 -0.60 0.00 0.00 178.31 177.87 2wh2 h VAL 47 N -0.07 1.00 -0.33 -0.55 2.07 -0.49 -2.72 116.25 115.16 2wh2 h VAL 47 Ca 0.02 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2wh2 h VAL 47 Cb 0.22 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 2wh2 h VAL 47 CO -0.00 0.07 -0.44 0.00 0.02 0.00 0.00 177.57 177.22 2wh2 h ALA 48 N 1.19 -0.52 -1.00 1.67 0.00 0.03 0.13 119.26 120.76 2wh2 h ALA 48 Ca 0.16 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.24 2wh2 h ALA 48 Cb 0.05 0.90 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 2wh2 h ALA 48 CO -0.10 -0.91 -0.44 1.63 0.00 0.00 0.00 179.25 179.44 2wh2 n LYS 49 N -5.42 -0.28 -0.01 0.00 4.76 -0.85 -0.93 118.16 115.43 2wh2 n LYS 49 Ca -0.02 1.53 -0.14 0.00 -2.87 0.00 0.00 58.31 56.82 2wh2 n LYS 49 Cb 0.35 -2.27 -0.02 0.00 -1.84 0.00 0.00 35.03 31.26 2wh2 n LYS 49 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2wh2 h VAL 50 N 0.00 1.31 -0.22 -0.18 3.04 -1.32 -1.32 116.25 117.56 2wh2 h VAL 50 Ca 0.30 -1.96 0.05 0.00 -1.01 0.00 0.00 66.70 64.08 2wh2 h VAL 50 Cb 0.55 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 2wh2 h VAL 50 CO -0.98 0.61 0.15 0.25 -1.01 0.00 0.00 177.57 176.60 2wh2 h LEU 51 N 0.47 0.08 0.00 3.16 7.12 0.47 0.41 115.31 127.02 2wh2 h LEU 51 Ca -0.03 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.98 2wh2 h LEU 51 Cb 1.30 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 2wh2 h LEU 51 CO 0.14 0.05 -0.00 -0.08 -0.13 0.00 0.00 178.44 178.42 2wh2 h GLU 52 N 0.09 0.00 -0.77 1.25 4.57 -0.84 -2.94 114.58 115.95 2wh2 h GLU 52 Ca 0.10 -0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.43 2wh2 h GLU 52 Cb 0.28 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 2wh2 h GLU 52 CO -0.01 0.96 0.51 1.03 -1.18 0.00 0.00 179.01 180.32 2wh2 h SER 53 N -0.95 0.40 0.64 1.04 0.87 -0.59 0.83 113.55 115.79 2wh2 h SER 53 Ca -0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2wh2 h SER 53 Cb 0.96 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2wh2 h SER 53 CO 0.00 0.21 -0.38 0.00 -0.53 0.00 0.00 176.83 176.13 2wh2 h ALA 54 N 1.64 -1.20 -0.45 6.23 0.00 -0.22 -0.51 119.26 124.75 2wh2 h ALA 54 Ca 0.38 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2wh2 h ALA 54 Cb 0.85 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 2wh2 h ALA 54 CO -0.12 -1.16 -0.43 0.00 0.00 0.00 0.00 179.25 177.54 2wh2 h ALA 55 N -1.37 -0.39 -0.35 0.00 0.00 -0.97 0.70 119.26 116.87 2wh2 h ALA 55 Ca -0.09 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2wh2 h ALA 55 Cb 0.75 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 19.38 2wh2 h ALA 55 CO 0.10 -0.85 -0.38 0.00 0.00 0.00 0.00 179.25 178.12 2wh2 h ALA 56 N 0.49 -0.57 -0.93 0.00 0.00 -0.78 0.21 119.26 117.67 2wh2 h ALA 56 Ca 0.15 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2wh2 h ALA 56 Cb 0.58 1.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 2wh2 h ALA 56 CO -0.60 -0.77 0.56 -0.91 0.00 0.00 0.00 179.25 177.52 2wh2 h ASN 57 N -0.22 0.79 -0.12 0.00 -0.26 -0.27 0.61 115.58 116.12 2wh2 h ASN 57 Ca 0.06 0.06 0.04 0.00 -0.56 0.00 0.00 56.30 55.90 2wh2 h ASN 57 Cb 0.37 -0.10 -0.06 0.00 -1.06 0.00 0.00 38.32 37.48 2wh2 h ASN 57 CO -0.44 0.41 -0.24 0.00 -1.06 0.00 0.00 177.43 176.10 2wh2 h ALA 58 N 1.52 -0.23 0.00 -0.83 0.00 0.33 -1.04 119.26 119.00 2wh2 h ALA 58 Ca 0.47 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2wh2 h ALA 58 Cb 0.49 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2wh2 h ALA 58 CO -0.28 -0.71 -0.76 -0.24 0.00 0.00 0.00 179.25 177.26 2wh2 h VAL 59 N -0.31 0.00 0.03 0.00 3.04 -0.31 -2.75 116.25 115.94 2wh2 h VAL 59 Ca 0.10 -0.62 -0.32 0.00 -1.01 0.00 0.00 66.70 64.84 2wh2 h VAL 59 Cb 0.46 1.15 -0.05 0.00 -2.01 0.00 0.00 31.29 30.84 2wh2 h VAL 59 CO -0.30 0.00 -1.90 0.59 -1.01 0.00 0.00 177.57 174.95 2wh2 n ASN 60 N -2.25 1.12 -0.48 3.17 4.13 0.17 -2.91 115.26 118.20 2wh2 n ASN 60 Ca 0.02 0.29 0.06 0.00 1.68 0.00 0.00 54.58 56.63 2wh2 n ASN 60 Cb 0.47 -0.14 0.06 0.00 -1.54 0.00 0.00 39.78 38.63 2wh2 n ASN 60 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2wh2 n ASN 61 N -3.12 2.05 -0.06 6.41 5.03 -0.40 -4.52 115.26 120.65 2wh2 n ASN 61 Ca -0.24 -1.53 0.00 0.00 0.87 0.00 0.00 54.58 53.68 2wh2 n ASN 61 Cb 1.06 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.80 2wh2 n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wh2 n HIS 62 N 0.65 0.00 -3.42 3.10 8.25 -1.19 -5.04 115.22 117.58 2wh2 n HIS 62 Ca 0.07 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 2wh2 n HIS 62 Cb 0.30 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.47 2wh2 n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wh2 n ASP 63 N 0.00 -1.27 -0.31 0.41 5.75 -1.15 -4.76 116.55 115.23 2wh2 n ASP 63 Ca 0.00 -0.34 0.14 0.00 -0.01 0.00 0.00 54.79 54.58 2wh2 n ASP 63 Cb 0.51 -0.46 0.64 0.00 -1.03 0.00 0.00 41.12 40.79 2wh2 n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wh2 n MET 64 N -1.69 1.42 -2.08 0.11 2.81 -1.05 -4.97 117.12 111.67 2wh2 n MET 64 Ca -0.06 -0.61 -0.03 0.00 -1.81 0.00 0.00 57.70 55.19 2wh2 n MET 64 Cb 0.18 -1.46 -0.02 0.00 -0.71 0.00 0.00 33.22 31.20 2wh2 n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wh2 n LEU 65 N -0.24 -4.54 -0.21 4.03 0.00 -1.26 -4.63 117.00 110.16 2wh2 n LEU 65 Ca 0.20 1.46 -0.05 0.00 0.00 0.00 0.00 56.01 57.62 2wh2 n LEU 65 Cb 0.25 -2.37 -0.05 0.00 0.00 0.00 0.00 43.42 41.26 2wh2 n LEU 65 CO 0.16 -2.29 0.48 1.21 0.00 0.00 0.00 177.39 176.95 2wh2 n GLU 66 N 1.04 -0.22 0.00 1.96 2.13 -1.26 -1.94 120.64 122.35 2wh2 n GLU 66 Ca -0.20 1.23 0.00 0.00 0.66 0.00 0.00 57.16 58.84 2wh2 n GLU 66 Cb 0.32 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2wh2 n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2wh2 n ASP 67 N -4.10 0.00 -0.45 4.31 8.00 -1.26 -0.69 116.55 122.36 2wh2 n ASP 67 Ca 0.01 0.09 0.07 0.00 0.71 0.00 0.00 54.79 55.67 2wh2 n ASP 67 Cb 0.13 -0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2wh2 n ASP 67 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wh2 n ARG 68 N -0.95 1.45 -1.84 -1.24 5.12 -0.82 -4.96 116.66 113.43 2wh2 n ARG 68 Ca 0.00 -1.06 -0.33 0.00 -1.93 0.00 0.00 57.85 54.53 2wh2 n ARG 68 Cb 0.20 -1.25 0.04 0.00 -1.16 0.00 0.00 32.46 30.29 2wh2 n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wh2 s LEU 69 N -1.57 3.45 -0.16 0.55 1.43 0.14 0.14 118.68 122.65 2wh2 s LEU 69 Ca 0.14 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 2wh2 s LEU 69 Cb 0.12 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.90 2wh2 s LEU 69 CO 0.27 -1.57 0.95 -0.72 0.23 0.00 0.00 176.35 175.52 2wh2 s TYR 70 N -2.25 -0.43 -0.75 0.29 -0.00 -0.67 -1.77 117.35 111.77 2wh2 s TYR 70 Ca 0.68 0.77 -0.26 0.00 -0.00 0.00 0.00 57.07 58.27 2wh2 s TYR 70 Cb -0.21 0.43 -0.07 0.00 -0.00 0.00 0.00 41.96 42.11 2wh2 s TYR 70 CO 0.39 -0.37 2.12 0.08 -0.00 0.00 0.00 175.55 177.77 2wh2 s VAL 71 N -0.96 3.25 0.10 -3.49 1.01 -0.89 -1.85 120.40 117.56 2wh2 s VAL 71 Ca -0.03 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 2wh2 s VAL 71 Cb -0.01 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 2wh2 s VAL 71 CO 0.02 -0.56 1.44 0.50 0.00 0.00 0.00 175.10 176.50 2wh2 h LYS 72 N 13.69 -0.40 -3.28 2.72 1.63 -1.71 -0.20 116.57 129.01 2wh2 h LYS 72 Ca -0.05 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2wh2 h LYS 72 Cb 1.08 0.09 -0.11 0.00 -0.60 0.00 0.00 32.23 32.69 2wh2 h LYS 72 CO 1.15 -0.27 0.03 0.00 -3.45 0.00 0.00 179.45 176.91 2wh2 s ALA 73 N -5.25 -1.03 0.24 5.00 0.00 -1.06 -4.42 121.76 115.24 2wh2 s ALA 73 Ca -0.12 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 2wh2 s ALA 73 Cb 0.06 0.81 0.03 0.00 0.00 0.00 0.00 23.12 24.03 2wh2 s ALA 73 CO 0.48 -0.76 0.79 0.00 0.00 0.00 0.00 175.76 176.27 2wh2 s ALA 74 N -3.84 -1.35 0.00 0.00 0.00 -1.26 -1.91 121.76 113.41 2wh2 s ALA 74 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2wh2 s ALA 74 Cb -0.00 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2wh2 s ALA 74 CO -0.07 -1.04 0.00 2.48 0.00 0.00 0.00 175.76 177.13 2wh2 n TYR 75 N -0.46 0.00 -3.79 0.00 0.18 -0.86 -5.02 117.16 107.20 2wh2 n TYR 75 Ca -0.05 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.59 2wh2 n TYR 75 Cb 0.60 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.40 2wh2 n TYR 75 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2wh2 s VAL 76 N -2.00 -0.04 0.26 -3.48 0.11 -1.26 -1.76 120.40 112.23 2wh2 s VAL 76 Ca 0.00 0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.28 2wh2 s VAL 76 Cb 0.00 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.73 2wh2 s VAL 76 CO 0.00 0.06 0.15 -1.81 -3.33 0.00 0.00 175.10 170.18 2wh2 s ASP 77 N 0.79 5.26 0.18 3.54 1.01 -0.66 -4.93 116.67 121.86 2wh2 s ASP 77 Ca -0.07 -0.37 -0.29 0.00 0.71 0.00 0.00 52.55 52.54 2wh2 s ASP 77 Cb -0.09 -1.23 -0.08 0.00 1.01 0.00 0.00 42.92 42.53 2wh2 s ASP 77 CO -0.02 -0.05 0.90 -0.70 0.21 0.00 0.00 175.17 175.51 2wh2 s GLU 78 N -3.81 4.75 0.29 8.23 2.56 -1.26 -1.47 118.70 127.98 2wh2 s GLU 78 Ca 0.33 1.39 0.08 0.00 0.00 0.00 0.00 54.97 56.78 2wh2 s GLU 78 Cb -0.07 -3.30 -0.04 0.00 2.00 0.00 0.00 34.13 32.71 2wh2 s GLU 78 CO 0.24 0.44 0.13 0.20 -0.56 0.00 0.00 175.26 175.71 2wh2 s GLY 79 N -0.83 1.69 -0.40 -1.50 0.00 0.16 -4.84 107.32 101.59 2wh2 s GLY 79 Ca 0.41 -1.64 -0.32 0.00 0.00 0.00 0.00 44.72 43.17 2wh2 s GLY 79 CO 0.30 -1.64 2.28 -1.55 0.00 0.00 0.00 173.10 172.49 2wh2 n PRO 80 N -1.11 1.14 -1.25 2.90 -0.04 -1.26 -4.02 135.00 131.36 2wh2 n PRO 80 Ca -0.05 0.26 -0.32 0.00 -0.04 0.00 0.00 63.50 63.35 2wh2 n PRO 80 Cb 0.59 -2.68 0.10 0.00 -0.04 0.00 0.00 33.50 31.48 2wh2 n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wh2 s ALA 81 N 8.44 2.04 -0.31 0.55 0.00 -1.26 -4.63 121.76 126.59 2wh2 s ALA 81 Ca 1.08 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 2wh2 s ALA 81 Cb -0.69 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 2wh2 s ALA 81 CO 0.43 -1.98 0.26 -0.51 0.00 0.00 0.00 175.76 173.95 2wh2 s LEU 82 N -5.68 4.24 -0.33 0.00 1.02 0.62 -4.93 118.68 113.61 2wh2 s LEU 82 Ca 0.68 -0.13 -0.20 0.00 0.02 0.00 0.00 54.13 54.50 2wh2 s LEU 82 Cb -0.23 -2.20 -0.00 0.00 0.02 0.00 0.00 46.19 43.78 2wh2 s LEU 82 CO 0.51 -0.17 0.61 -0.54 0.02 0.00 0.00 176.35 176.78 2wh2 s LYS 83 N 1.83 3.76 0.21 1.70 1.02 -1.26 0.37 119.74 127.37 2wh2 s LYS 83 Ca 0.09 0.12 0.10 0.00 0.02 0.00 0.00 55.97 56.29 2wh2 s LYS 83 Cb -0.16 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.33 2wh2 s LYS 83 CO 0.11 -0.66 -0.12 1.03 -0.92 0.00 0.00 175.35 174.79 2wh2 s ARG 84 N 2.62 1.95 0.28 1.68 1.81 -0.02 -4.96 118.95 122.32 2wh2 s ARG 84 Ca 0.24 -1.39 -0.06 0.00 -1.72 0.00 0.00 55.73 52.79 2wh2 s ARG 84 Cb -0.15 -2.06 -0.06 0.00 -0.45 0.00 0.00 34.95 32.24 2wh2 s ARG 84 CO 0.13 0.41 0.56 0.08 -0.68 0.00 0.00 175.30 175.81 2wh2 s VAL 85 N -1.88 4.99 -0.25 3.52 1.01 -1.26 0.82 120.40 127.35 2wh2 s VAL 85 Ca 0.26 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2wh2 s VAL 85 Cb -0.08 -3.70 0.14 0.00 0.00 0.00 0.00 36.38 32.73 2wh2 s VAL 85 CO 0.15 -0.27 0.36 -0.22 0.00 0.00 0.00 175.10 175.11 2wh2 s LEU 86 N -3.39 -0.57 0.15 3.92 2.96 0.47 -4.75 118.68 117.47 2wh2 s LEU 86 Ca 0.45 -0.06 -0.31 0.00 -0.22 0.00 0.00 54.13 53.99 2wh2 s LEU 86 Cb -0.11 0.97 -0.09 0.00 0.50 0.00 0.00 46.19 47.46 2wh2 s LEU 86 CO 0.28 -0.32 1.43 -2.16 -1.32 0.00 0.00 176.35 174.25 2wh2 s PRO 87 N 2.50 4.30 0.42 0.98 0.04 -1.26 -1.17 135.00 140.81 2wh2 s PRO 87 Ca 0.11 2.16 0.07 0.00 0.04 0.00 0.00 61.00 63.38 2wh2 s PRO 87 Cb -0.15 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 2wh2 s PRO 87 CO -0.20 -0.45 0.13 1.03 0.04 0.00 0.00 177.00 177.54 2wh2 s ARG 88 N 0.83 2.14 0.74 4.56 1.81 -1.26 -4.79 118.95 122.99 2wh2 s ARG 88 Ca 0.64 -1.94 -0.16 0.00 -1.72 0.00 0.00 55.73 52.56 2wh2 s ARG 88 Cb -0.39 -1.87 -0.03 0.00 -0.45 0.00 0.00 34.95 32.21 2wh2 s ARG 88 CO 0.33 -0.11 0.54 0.00 -0.68 0.00 0.00 175.30 175.38 2wh2 n ALA 89 N -1.16 -1.54 -2.37 2.13 0.00 -1.26 -1.90 120.51 114.41 2wh2 n ALA 89 Ca -0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 52.97 2wh2 n ALA 89 Cb 0.65 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 2wh2 n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wh2 n ARG 90 N -0.86 -1.88 -3.83 0.00 1.74 -1.26 -2.59 116.66 107.97 2wh2 n ARG 90 Ca 0.10 0.85 -0.27 0.00 -0.77 0.00 0.00 57.85 57.76 2wh2 n ARG 90 Cb 0.50 -5.47 0.03 0.00 -1.02 0.00 0.00 32.46 26.50 2wh2 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh2 n GLY 91 N -0.90 -0.41 0.08 -0.13 0.00 -0.80 -4.93 105.19 98.10 2wh2 n GLY 91 Ca -0.20 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2wh2 n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wh2 h ARG 92 N -2.01 -0.05 -4.62 1.61 2.43 -1.20 -3.47 114.38 107.06 2wh2 h ARG 92 Ca -0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2wh2 h ARG 92 Cb 1.37 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.86 2wh2 h ARG 92 CO 0.63 0.59 -1.10 0.00 -1.51 0.00 0.00 179.97 178.58 2wh2 n ALA 93 N -2.61 -3.52 -2.86 2.80 0.00 -1.26 -4.82 120.51 108.25 2wh2 n ALA 93 Ca -0.08 1.37 -0.23 0.00 0.00 0.00 0.00 53.44 54.51 2wh2 n ALA 93 Cb 0.32 -2.68 -0.04 0.00 0.00 0.00 0.00 19.45 17.05 2wh2 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wh2 s ASP 94 N -0.83 5.73 -0.19 0.00 -0.00 -0.31 -4.87 116.67 116.20 2wh2 s ASP 94 Ca -0.14 -0.14 -0.06 0.00 -0.00 0.00 0.00 52.55 52.21 2wh2 s ASP 94 Cb 0.01 -1.53 -0.03 0.00 -0.00 0.00 0.00 42.92 41.36 2wh2 s ASP 94 CO 0.63 -0.02 0.02 0.27 -0.00 0.00 0.00 175.17 176.08 2wh2 s ILE 95 N -2.01 4.23 0.46 0.77 -4.36 -1.26 -0.40 121.20 118.64 2wh2 s ILE 95 Ca 0.33 -0.22 -0.06 0.00 -0.26 0.00 0.00 60.65 60.44 2wh2 s ILE 95 Cb -0.09 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.67 2wh2 s ILE 95 CO 0.26 0.44 0.77 -0.51 0.24 0.00 0.00 174.94 176.13 2wh2 s ILE 96 N 0.79 4.90 -0.33 8.37 1.10 0.24 -4.88 121.20 131.40 2wh2 s ILE 96 Ca 0.01 0.24 0.03 0.00 -0.51 0.00 0.00 60.65 60.42 2wh2 s ILE 96 Cb -0.14 -3.84 0.10 0.00 0.15 0.00 0.00 42.46 38.72 2wh2 s ILE 96 CO 0.02 -0.78 0.04 -0.54 -2.11 0.00 0.00 174.94 171.57 2wh2 s LYS 97 N -4.57 1.44 -0.94 3.50 1.02 -1.26 -0.84 119.74 118.10 2wh2 s LYS 97 Ca 0.48 -1.72 -0.24 0.00 0.02 0.00 0.00 55.97 54.51 2wh2 s LYS 97 Cb -0.10 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2wh2 s LYS 97 CO 0.42 -0.91 1.73 0.15 -0.92 0.00 0.00 175.35 175.83 2wh2 s LYS 98 N 1.02 2.98 0.69 1.68 -0.14 0.16 -4.83 119.74 121.30 2wh2 s LYS 98 Ca 0.09 -0.59 -0.14 0.00 -1.36 0.00 0.00 55.97 53.97 2wh2 s LYS 98 Cb -0.19 -5.14 0.01 0.00 -1.68 0.00 0.00 37.83 30.84 2wh2 s LYS 98 CO -0.10 -2.87 1.11 1.03 -0.76 0.00 0.00 175.35 173.76 2wh2 s ARG 99 N 6.18 2.67 0.09 1.68 0.52 -1.26 -0.28 118.95 128.55 2wh2 s ARG 99 Ca 0.60 1.35 0.06 0.00 -0.52 0.00 0.00 55.73 57.21 2wh2 s ARG 99 Cb -0.04 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 2wh2 s ARG 99 CO -0.03 -1.35 -0.15 -0.08 0.02 0.00 0.00 175.30 173.71 2wh2 s THR 100 N -2.46 1.25 0.22 0.02 -1.32 -1.26 -2.59 115.64 109.51 2wh2 s THR 100 Ca 0.66 -1.46 0.11 0.00 -1.21 0.00 0.00 61.69 59.79 2wh2 s THR 100 Cb -0.20 -1.27 -0.05 0.00 -1.51 0.00 0.00 72.50 69.48 2wh2 s THR 100 CO 0.45 -0.26 -0.21 -0.44 -2.21 0.00 0.00 174.62 171.95 2wh2 s SER 101 N -1.97 3.33 -0.32 8.08 0.01 -0.22 0.39 113.70 123.00 2wh2 s SER 101 Ca 0.02 -0.94 0.01 0.00 1.31 0.00 0.00 55.95 56.36 2wh2 s SER 101 Cb -0.08 -0.25 0.10 0.00 0.21 0.00 0.00 66.02 65.99 2wh2 s SER 101 CO 0.03 0.05 0.07 -1.00 0.41 0.00 0.00 173.24 172.80 2wh2 s HIS 102 N -2.13 2.61 -0.52 2.43 3.76 -0.54 0.20 115.29 121.09 2wh2 s HIS 102 Ca 0.24 -2.28 -0.20 0.00 -0.15 0.00 0.00 55.06 52.67 2wh2 s HIS 102 Cb -0.06 -2.23 0.06 0.00 1.11 0.00 0.00 32.58 31.46 2wh2 s HIS 102 CO 0.11 -0.90 0.68 0.42 -0.85 0.00 0.00 174.74 174.19 2wh2 s ILE 103 N 1.30 4.80 -0.12 0.60 1.01 -0.63 -1.66 121.20 126.51 2wh2 s ILE 103 Ca 0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2wh2 s ILE 103 Cb -0.18 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2wh2 s ILE 103 CO -0.17 -0.89 0.10 -0.89 0.00 0.00 0.00 174.94 173.09 2wh2 s THR 104 N 2.81 5.16 -0.23 2.92 2.01 -0.72 -1.54 115.64 126.05 2wh2 s THR 104 Ca 0.16 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.21 2wh2 s THR 104 Cb -0.19 -3.25 0.09 0.00 0.01 0.00 0.00 72.50 69.16 2wh2 s THR 104 CO 0.12 0.59 0.16 -0.69 -0.69 0.00 0.00 174.62 174.10 2wh2 s VAL 105 N -0.76 -0.17 -0.11 3.82 1.01 -1.26 -2.04 120.40 120.89 2wh2 s VAL 105 Ca 0.13 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 2wh2 s VAL 105 Cb -0.12 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 2wh2 s VAL 105 CO 0.03 -0.42 0.35 0.27 0.00 0.00 0.00 175.10 175.33 2wh2 s ILE 106 N 2.20 5.23 0.20 2.22 -4.36 -0.80 -2.25 121.20 123.63 2wh2 s ILE 106 Ca 0.06 0.68 0.05 0.00 -0.26 0.00 0.00 60.65 61.18 2wh2 s ILE 106 Cb -0.16 -3.67 -0.04 0.00 1.25 0.00 0.00 42.46 39.84 2wh2 s ILE 106 CO -0.21 0.44 0.23 -0.22 0.24 0.00 0.00 174.94 175.43 2wh2 s LEU 107 N 0.01 4.04 0.29 0.37 2.96 0.93 -2.14 118.68 125.15 2wh2 s LEU 107 Ca 0.20 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 2wh2 s LEU 107 Cb -0.14 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 2wh2 s LEU 107 CO 0.08 0.01 0.35 -0.83 -1.32 0.00 0.00 176.35 174.63 2wh2 s GLY 108 N -3.50 1.57 0.25 7.98 0.00 -0.77 -0.75 107.32 112.10 2wh2 s GLY 108 Ca 0.33 -1.62 0.06 0.00 0.00 0.00 0.00 44.72 43.49 2wh2 s GLY 108 CO 0.26 -1.16 0.30 -0.54 0.00 0.00 0.00 173.10 171.96 2wh2 s GLU 109 N -3.53 3.18 0.00 2.90 2.02 -1.26 -1.67 118.70 120.34 2wh2 s GLU 109 Ca 0.34 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2wh2 s GLU 109 Cb 0.02 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.51 2wh2 s GLU 109 CO 0.19 0.38 0.00 1.17 0.02 0.00 0.00 175.26 177.02 2wh2 n LYS 110 N -1.33 3.43 -0.98 1.61 3.00 0.37 -4.88 118.16 119.38 2wh2 n LYS 110 Ca -0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.88 2wh2 n LYS 110 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.66 2wh2 n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2wh2 n HIS 111 N 0.00 -4.61 -2.70 5.64 1.44 -1.26 -4.98 115.22 108.76 2wh2 n HIS 111 Ca 0.00 0.02 -0.04 0.00 -2.01 0.00 0.00 57.72 55.69 2wh2 n HIS 111 Cb 0.00 -1.49 0.11 0.00 0.12 0.00 0.00 29.99 28.73 2wh2 n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wh2 n GLY 112 N 3.18 1.76 0.59 -1.39 0.00 -1.26 -5.09 105.19 102.98 2wh2 n GLY 112 Ca -0.00 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.84 2wh2 n GLY 112 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90