#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n ASN 2 N 0.00 0.00 -4.01 6.12 3.02 -1.26 -3.97 115.26 115.16 2wh2 n ASN 2 Ca 0.00 0.37 -0.32 0.00 -0.03 0.00 0.00 54.58 54.59 2wh2 n ASN 2 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 2wh2 n ASN 2 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2wh2 s ARG 3 N -0.73 2.37 0.01 3.52 3.52 -1.26 -4.91 118.95 121.48 2wh2 s ARG 3 Ca 0.00 -2.77 0.00 0.00 -0.13 0.00 0.00 55.73 52.84 2wh2 s ARG 3 Cb 0.00 -3.53 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 2wh2 s ARG 3 CO 0.00 -1.17 0.76 0.41 -0.81 0.00 0.00 175.30 174.49 2wh2 n GLY 4 N 2.98 -0.25 0.11 8.12 0.00 -1.25 -0.09 105.19 114.81 2wh2 n GLY 4 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 2wh2 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh2 n ALA 5 N -1.25 1.49 -0.35 4.61 0.00 -1.26 -4.02 120.51 119.73 2wh2 n ALA 5 Ca -0.00 -1.10 0.09 0.00 0.00 0.00 0.00 53.44 52.42 2wh2 n ALA 5 Cb 0.27 -0.09 0.26 0.00 0.00 0.00 0.00 19.45 19.89 2wh2 n ALA 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wh2 h LEU 6 N 0.00 0.85 0.34 0.00 6.46 -0.90 -2.20 115.31 119.85 2wh2 h LEU 6 Ca -0.54 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2wh2 h LEU 6 Cb 1.94 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 41.75 2wh2 h LEU 6 CO -0.05 0.41 -0.37 0.40 -0.62 0.00 0.00 178.44 178.21 2wh2 h ILE 7 N 0.90 0.25 -0.66 4.05 2.04 -1.64 -2.99 117.51 119.45 2wh2 h ILE 7 Ca 0.51 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.52 2wh2 h ILE 7 Cb 0.61 0.25 -0.11 0.00 -0.74 0.00 0.00 36.82 36.82 2wh2 h ILE 7 CO -0.31 0.00 0.00 0.11 0.00 0.00 0.00 178.15 177.96 2wh2 h LYS 8 N -0.74 0.11 -0.54 2.37 1.57 -1.53 1.09 116.57 118.89 2wh2 h LYS 8 Ca -0.02 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.91 2wh2 h LYS 8 Cb 0.68 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2wh2 h LYS 8 CO -0.08 0.07 0.51 -0.07 -0.57 0.00 0.00 179.45 179.32 2wh2 h LEU 9 N 0.12 0.00 0.12 2.94 3.38 -1.40 -0.67 115.31 119.79 2wh2 h LEU 9 Ca 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2wh2 h LEU 9 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wh2 h LEU 9 CO -0.57 0.00 -0.06 0.58 0.09 0.00 0.00 178.44 178.48 2wh2 h VAL 10 N 0.00 1.04 -0.58 1.22 2.07 0.13 -3.15 116.25 116.98 2wh2 h VAL 10 Ca 0.26 -1.19 0.17 0.00 0.82 0.00 0.00 66.70 66.75 2wh2 h VAL 10 Cb 1.28 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2wh2 h VAL 10 CO -0.00 0.26 0.42 -0.33 0.02 0.00 0.00 177.57 177.94 2wh2 h GLU 11 N -0.78 0.00 -4.96 1.57 3.07 -0.77 -3.22 114.58 109.51 2wh2 h GLU 11 Ca -0.02 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.36 2wh2 h GLU 11 Cb 0.55 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2wh2 h GLU 11 CO 0.03 0.00 1.58 0.43 -1.40 0.00 0.00 179.01 179.65 2wh2 n SER 12 N -4.35 2.51 -0.71 1.42 7.64 -0.78 -4.46 113.62 114.90 2wh2 n SER 12 Ca 0.11 -2.66 0.12 0.00 1.01 0.00 0.00 58.87 57.45 2wh2 n SER 12 Cb 0.66 -1.34 0.05 0.00 -1.01 0.00 0.00 64.21 62.58 2wh2 n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2wh2 n ARG 13 N 7.68 1.73 -0.94 1.43 3.00 -1.22 -3.95 116.66 124.39 2wh2 n ARG 13 Ca 0.47 -1.43 -0.05 0.00 -0.00 0.00 0.00 57.85 56.84 2wh2 n ARG 13 Cb 0.43 -1.47 0.29 0.00 0.00 0.00 0.00 32.46 31.71 2wh2 n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wh2 n TYR 14 N 0.61 2.26 -1.62 -0.14 4.02 -1.26 -4.97 117.16 116.06 2wh2 n TYR 14 Ca 0.12 -1.09 -0.40 0.00 -0.01 0.00 0.00 57.90 56.52 2wh2 n TYR 14 Cb 0.53 -0.64 0.03 0.00 -0.02 0.00 0.00 39.34 39.23 2wh2 n TYR 14 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2wh2 n VAL 15 N -0.07 2.95 -4.17 -0.72 0.24 -1.25 -4.85 118.33 110.46 2wh2 n VAL 15 Ca 0.37 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.34 61.99 2wh2 n VAL 15 Cb 1.30 -1.21 -0.16 0.00 -1.47 0.00 0.00 33.84 32.31 2wh2 n VAL 15 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wh2 s ARG 16 N -2.34 0.64 -0.13 7.34 3.00 -1.26 -5.07 118.95 121.12 2wh2 s ARG 16 Ca 0.68 -0.14 -0.05 0.00 -1.00 0.00 0.00 55.73 55.22 2wh2 s ARG 16 Cb -0.49 -0.65 0.06 0.00 0.00 0.00 0.00 34.95 33.88 2wh2 s ARG 16 CO 0.53 0.01 0.28 -0.08 0.00 0.00 0.00 175.30 176.04 2wh2 s THR 17 N 0.47 -0.37 0.00 4.11 -1.32 -1.26 -4.90 115.64 112.37 2wh2 s THR 17 Ca -0.06 0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2wh2 s THR 17 Cb -0.09 -0.46 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 2wh2 s THR 17 CO -0.00 0.10 0.00 -0.90 -2.21 0.00 0.00 174.62 171.61 2wh2 n ASP 18 N 5.16 0.00 -4.75 8.08 5.75 -1.26 -5.14 116.55 124.40 2wh2 n ASP 18 Ca -0.10 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.29 2wh2 n ASP 18 Cb 0.50 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.54 2wh2 n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wh2 s LEU 19 N 0.00 4.40 -0.23 -2.12 1.43 -1.26 -4.98 118.68 115.92 2wh2 s LEU 19 Ca 0.00 1.25 -0.39 0.00 -1.03 0.00 0.00 54.13 53.97 2wh2 s LEU 19 Cb 0.00 -3.05 -0.15 0.00 0.03 0.00 0.00 46.19 43.02 2wh2 s LEU 19 CO 0.00 0.03 1.77 -2.65 0.23 0.00 0.00 176.35 175.73 2wh2 n PRO 20 N 2.99 1.40 -2.20 1.29 -0.02 -1.26 -4.87 135.00 132.32 2wh2 n PRO 20 Ca -0.04 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 2wh2 n PRO 20 Cb 0.51 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2wh2 n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wh2 s GLU 21 N 3.64 4.36 0.16 -0.52 2.12 -1.26 -4.95 118.70 122.25 2wh2 s GLU 21 Ca 0.97 2.05 0.02 0.00 0.36 0.00 0.00 54.97 58.37 2wh2 s GLU 21 Cb -0.98 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.18 2wh2 s GLU 21 CO 0.62 -0.34 0.17 1.97 -0.54 0.00 0.00 175.26 177.14 2wh2 n PHE 22 N 3.33 -0.58 -3.55 5.30 1.16 -1.26 -5.12 117.46 116.73 2wh2 n PHE 22 Ca 0.09 -1.27 -0.09 0.00 -1.87 0.00 0.00 57.45 54.31 2wh2 n PHE 22 Cb 0.43 0.19 -0.04 0.00 -1.61 0.00 0.00 39.48 38.45 2wh2 n PHE 22 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 2wh2 s ARG 23 N -2.55 0.63 0.00 3.97 1.70 -1.26 -5.03 118.95 116.41 2wh2 s ARG 23 Ca 0.17 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.40 2wh2 s ARG 23 Cb 0.00 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2wh2 s ARG 23 CO 0.12 -0.24 0.00 -2.30 -1.08 0.00 0.00 175.30 171.81 2wh2 n PRO 24 N 0.31 0.00 0.00 3.89 -0.02 -1.26 -4.13 135.00 133.79 2wh2 n PRO 24 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wh2 n PRO 24 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 2wh2 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wh2 n GLY 25 N 0.00 0.73 2.79 -1.23 0.00 -1.26 -4.67 105.19 101.55 2wh2 n GLY 25 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wh2 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh2 s ASP 26 N -1.00 -0.60 0.00 1.61 3.68 -1.25 -4.04 116.67 115.07 2wh2 s ASP 26 Ca 0.00 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.18 2wh2 s ASP 26 Cb 0.00 0.78 0.00 0.00 -1.45 0.00 0.00 42.92 42.25 2wh2 s ASP 26 CO 0.00 -0.05 0.00 1.07 0.13 0.00 0.00 175.17 176.32 2wh2 n THR 27 N 3.30 0.00 0.00 1.71 5.66 -1.25 -2.62 114.28 121.08 2wh2 n THR 27 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2wh2 n THR 27 Cb 0.62 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 2wh2 n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wh2 n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.25 -2.76 118.33 115.71 2wh2 n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wh2 n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wh2 n VAL 28 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh2 n ARG 29 N 0.00 0.00 -0.18 5.55 3.00 -0.01 -3.95 116.66 121.08 2wh2 n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2wh2 n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wh2 n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wh2 n VAL 30 N -1.51 0.00 0.00 1.55 0.24 -1.26 -4.31 118.33 113.04 2wh2 n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wh2 n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wh2 n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wh2 n SER 31 N -2.01 0.00 0.00 -1.34 3.41 0.66 -3.94 113.62 110.40 2wh2 n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wh2 n SER 31 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2wh2 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wh2 n TYR 32 N 0.00 0.00 0.00 7.33 0.18 -1.26 -3.74 117.16 119.67 2wh2 n TYR 32 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 2wh2 n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 2wh2 n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 2wh2 n LYS 33 N 0.00 0.00 -3.65 -3.48 4.76 -1.25 -4.71 118.16 109.83 2wh2 n LYS 33 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 2wh2 n LYS 33 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 2wh2 n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wh2 s VAL 34 N 0.00 5.19 -4.60 -0.18 1.01 -1.26 -4.17 120.40 116.39 2wh2 s VAL 34 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2wh2 s VAL 34 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2wh2 s VAL 34 CO 0.00 0.40 0.00 2.29 0.00 0.00 0.00 175.10 177.79 2wh2 n LYS 35 N 1.25 -2.00 -0.51 2.72 2.85 -1.24 -5.00 118.16 116.23 2wh2 n LYS 35 Ca -0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.15 2wh2 n LYS 35 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 2wh2 n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wh2 n GLU 36 N -0.04 -1.92 0.00 -1.58 2.13 -1.26 -0.58 120.64 117.39 2wh2 n GLU 36 Ca 0.00 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2wh2 n GLU 36 Cb 0.00 -3.77 0.00 0.00 0.27 0.00 0.00 31.44 27.94 2wh2 n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh2 n GLY 37 N 0.48 2.62 3.34 8.31 0.00 -1.26 -4.99 105.19 113.69 2wh2 n GLY 37 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wh2 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s ASN 38 N -2.03 5.04 0.42 1.61 4.22 0.25 -4.97 114.94 119.47 2wh2 s ASN 38 Ca 0.00 -0.67 0.23 0.00 -2.14 0.00 0.00 52.86 50.27 2wh2 s ASN 38 Cb 0.00 -1.86 1.22 0.00 1.28 0.00 0.00 41.25 41.89 2wh2 s ASN 38 CO 0.00 -0.17 1.73 0.03 -2.04 0.00 0.00 177.10 176.65 2wh2 h ARG 39 N 8.21 0.27 0.00 3.55 3.08 -1.91 -3.30 114.38 124.29 2wh2 h ARG 39 Ca -0.32 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 2wh2 h ARG 39 Cb 1.13 -0.06 0.05 0.00 0.08 0.00 0.00 29.97 31.17 2wh2 h ARG 39 CO 0.60 0.18 -0.04 0.25 -1.07 0.00 0.00 179.97 179.89 2wh2 n THR 40 N -4.63 0.00 0.00 2.04 -2.24 -1.26 -4.13 114.28 104.06 2wh2 n THR 40 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2wh2 n THR 40 Cb 1.06 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 2wh2 n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wh2 n ARG 41 N -2.18 0.00 -3.20 -0.78 5.12 -1.26 -4.46 116.66 109.90 2wh2 n ARG 41 Ca 0.03 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 2wh2 n ARG 41 Cb 0.14 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.37 2wh2 n ARG 41 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2wh2 n ILE 42 N 1.37 -0.80 -0.60 0.55 -6.64 -1.26 -3.79 119.36 108.19 2wh2 n ILE 42 Ca 0.00 -3.25 -0.30 0.00 -1.77 0.00 0.00 62.75 57.43 2wh2 n ILE 42 Cb 0.00 -1.25 0.20 0.00 -1.44 0.00 0.00 39.64 37.16 2wh2 n ILE 42 CO 0.00 0.00 0.00 1.67 -1.77 0.00 0.00 176.55 176.45 2wh2 n GLN 43 N 2.20 -1.22 -4.66 6.28 7.27 -1.26 -4.58 117.38 121.40 2wh2 n GLN 43 Ca 0.24 -0.30 -0.24 0.00 0.07 0.00 0.00 57.00 56.76 2wh2 n GLN 43 Cb 0.52 -2.30 -0.16 0.00 2.41 0.00 0.00 30.24 30.71 2wh2 n GLN 43 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2wh2 s ASP 44 N -2.55 1.82 -0.40 1.69 1.11 -1.26 -0.24 116.67 116.84 2wh2 s ASP 44 Ca 0.68 -0.30 -0.08 0.00 0.18 0.00 0.00 52.55 53.02 2wh2 s ASP 44 Cb -0.24 -0.58 0.07 0.00 1.07 0.00 0.00 42.92 43.24 2wh2 s ASP 44 CO 0.61 0.10 0.22 0.12 1.18 0.00 0.00 175.17 177.40 2wh2 s PHE 45 N 0.23 3.33 -0.93 4.23 5.36 -1.25 -4.88 117.98 124.06 2wh2 s PHE 45 Ca -0.06 -1.53 -0.07 0.00 -0.96 0.00 0.00 56.93 54.31 2wh2 s PHE 45 Cb -0.12 -2.81 0.23 0.00 -0.34 0.00 0.00 43.02 39.99 2wh2 s PHE 45 CO 0.02 -0.82 0.86 -2.00 -1.46 0.00 0.00 175.22 171.82 2wh2 s GLU 46 N 1.41 3.59 0.30 10.12 2.12 -1.26 -0.83 118.70 134.15 2wh2 s GLU 46 Ca 0.02 -3.02 0.04 0.00 0.36 0.00 0.00 54.97 52.37 2wh2 s GLU 46 Cb -0.22 -4.23 -0.03 0.00 0.26 0.00 0.00 34.13 29.90 2wh2 s GLU 46 CO 0.02 -1.25 0.21 0.20 -0.54 0.00 0.00 175.26 173.90 2wh2 s GLY 47 N 0.90 2.07 0.32 -1.50 0.00 -1.26 -4.85 107.32 103.01 2wh2 s GLY 47 Ca 0.26 -1.88 -0.27 0.00 0.00 0.00 0.00 44.72 42.83 2wh2 s GLY 47 CO -0.09 -1.49 1.03 -0.42 0.00 0.00 0.00 173.10 172.12 2wh2 s ILE 48 N -3.65 3.80 -0.20 0.90 1.09 -1.04 -3.84 121.20 118.26 2wh2 s ILE 48 Ca 0.38 1.59 -0.21 0.00 -1.10 0.00 0.00 60.65 61.31 2wh2 s ILE 48 Cb 0.04 -3.93 -0.02 0.00 -1.06 0.00 0.00 42.46 37.49 2wh2 s ILE 48 CO 0.21 0.21 0.64 0.54 -0.10 0.00 0.00 174.94 176.45 2wh2 s VAL 49 N -1.43 5.01 -0.16 2.92 0.11 -1.26 0.14 120.40 125.74 2wh2 s VAL 49 Ca 0.50 1.21 -0.12 0.00 -2.93 0.00 0.00 61.98 60.64 2wh2 s VAL 49 Cb -0.25 -3.96 -0.23 0.00 -1.53 0.00 0.00 36.38 30.41 2wh2 s VAL 49 CO 0.32 0.10 0.28 -0.38 -3.33 0.00 0.00 175.10 172.09 2wh2 n ILE 50 N 4.70 1.68 -3.70 7.04 -0.00 -0.26 -4.21 119.36 124.61 2wh2 n ILE 50 Ca -0.01 -0.42 -0.14 0.00 -0.00 0.00 0.00 62.75 62.18 2wh2 n ILE 50 Cb 0.50 -1.84 -0.09 0.00 -0.00 0.00 0.00 39.64 38.21 2wh2 n ILE 50 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wh2 s ARG 51 N -2.49 0.63 -0.27 0.38 1.70 -1.23 -3.18 118.95 114.50 2wh2 s ARG 51 Ca -0.25 0.51 -0.00 0.00 -0.47 0.00 0.00 55.73 55.51 2wh2 s ARG 51 Cb 0.07 0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2wh2 s ARG 51 CO 0.69 -0.11 -0.06 0.42 -1.08 0.00 0.00 175.30 175.17 2wh2 s ILE 52 N -0.12 2.68 -0.64 4.99 1.01 -1.26 -0.92 121.20 126.94 2wh2 s ILE 52 Ca -0.03 -1.33 -0.16 0.00 0.00 0.00 0.00 60.65 59.13 2wh2 s ILE 52 Cb -0.03 -2.48 0.15 0.00 0.01 0.00 0.00 42.46 40.11 2wh2 s ILE 52 CO 0.02 0.04 0.62 -0.60 0.00 0.00 0.00 174.94 175.02 2wh2 s ARG 53 N 1.23 3.18 0.36 2.79 3.52 0.13 -4.97 118.95 125.21 2wh2 s ARG 53 Ca -0.04 -1.85 -0.26 0.00 -0.13 0.00 0.00 55.73 53.45 2wh2 s ARG 53 Cb -0.19 -4.35 -0.09 0.00 -1.56 0.00 0.00 34.95 28.76 2wh2 s ARG 53 CO -0.04 -1.37 1.10 1.03 -0.81 0.00 0.00 175.30 175.21 2wh2 s ARG 54 N 1.42 4.27 0.00 5.12 0.52 -1.26 -1.67 118.95 127.35 2wh2 s ARG 54 Ca 0.09 1.69 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 2wh2 s ARG 54 Cb -0.23 -2.77 0.00 0.00 0.52 0.00 0.00 34.95 32.47 2wh2 s ARG 54 CO -0.00 -0.09 0.05 -1.71 0.02 0.00 0.00 175.30 173.57 2wh2 n ASN 55 N 0.34 0.00 0.00 0.23 5.15 -1.26 -4.96 115.26 114.75 2wh2 n ASN 55 Ca 0.03 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 2wh2 n ASN 55 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 2wh2 n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wh2 n GLY 56 N 0.00 1.85 1.89 8.20 0.00 -1.26 -4.76 105.19 111.11 2wh2 n GLY 56 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 2wh2 n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wh2 n PHE 57 N 0.00 -3.35 -1.06 1.61 -0.00 -1.26 -4.33 117.46 109.07 2wh2 n PHE 57 Ca 0.00 -0.79 -0.00 0.00 -0.00 0.00 0.00 57.45 56.65 2wh2 n PHE 57 Cb 0.00 -0.39 -0.00 0.00 -0.00 0.00 0.00 39.48 39.09 2wh2 n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2wh2 n ASN 58 N -3.06 -0.00 -4.82 -2.13 2.04 -1.26 -4.82 115.26 101.21 2wh2 n ASN 58 Ca 0.08 -0.00 -0.37 0.00 -0.44 0.00 0.00 54.58 53.85 2wh2 n ASN 58 Cb 0.29 -0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.47 2wh2 n ASN 58 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2wh2 s THR 59 N -0.56 4.69 0.51 5.53 -1.32 -1.26 -4.83 115.64 118.41 2wh2 s THR 59 Ca 0.00 1.15 0.05 0.00 -1.21 0.00 0.00 61.69 61.68 2wh2 s THR 59 Cb -0.00 -3.85 0.01 0.00 -1.51 0.00 0.00 72.50 67.15 2wh2 s THR 59 CO 0.00 0.35 0.27 0.42 -2.21 0.00 0.00 174.62 173.45 2wh2 s THR 60 N -1.35 1.67 -0.09 5.08 -4.23 -0.67 -4.24 115.64 111.81 2wh2 s THR 60 Ca 0.37 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.94 2wh2 s THR 60 Cb -0.17 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.42 2wh2 s THR 60 CO 0.20 0.00 0.68 0.72 -0.54 0.00 0.00 174.62 175.68 2wh2 s PHE 61 N -2.76 -0.67 0.08 3.99 -0.12 -1.10 0.23 117.98 117.62 2wh2 s PHE 61 Ca 0.29 1.24 0.07 0.00 -0.05 0.00 0.00 56.93 58.48 2wh2 s PHE 61 Cb -0.00 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2wh2 s PHE 61 CO 0.17 -0.57 -0.18 0.95 -0.05 0.00 0.00 175.22 175.54 2wh2 s THR 62 N -0.93 1.47 -0.07 -4.49 -4.23 -0.10 -1.55 115.64 105.73 2wh2 s THR 62 Ca -0.09 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 2wh2 s THR 62 Cb -0.01 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.49 2wh2 s THR 62 CO 0.08 -0.05 -0.19 0.68 -0.54 0.00 0.00 174.62 174.60 2wh2 s VAL 63 N -1.09 1.62 -0.24 2.29 -7.23 0.17 -1.10 120.40 114.81 2wh2 s VAL 63 Ca 0.04 -0.78 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 2wh2 s VAL 63 Cb -0.10 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 2wh2 s VAL 63 CO 0.03 0.46 0.04 -0.60 -0.31 0.00 0.00 175.10 174.72 2wh2 s ARG 64 N 0.33 3.59 -0.03 4.82 3.52 0.12 -0.57 118.95 130.74 2wh2 s ARG 64 Ca -0.13 -0.51 0.07 0.00 -0.13 0.00 0.00 55.73 55.02 2wh2 s ARG 64 Cb -0.15 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 2wh2 s ARG 64 CO 0.05 -0.19 -0.23 0.21 -0.81 0.00 0.00 175.30 174.34 2wh2 s LYS 65 N 1.57 2.28 -0.72 5.12 2.47 0.19 -2.51 119.74 128.14 2wh2 s LYS 65 Ca 0.06 -0.87 -0.17 0.00 -1.56 0.00 0.00 55.97 53.43 2wh2 s LYS 65 Cb -0.15 -2.14 0.15 0.00 -1.46 0.00 0.00 37.83 34.23 2wh2 s LYS 65 CO 0.02 0.55 0.77 0.08 0.16 0.00 0.00 175.35 176.92 2wh2 s VAL 66 N -0.56 5.11 -0.46 4.02 1.01 -1.26 0.18 120.40 128.44 2wh2 s VAL 66 Ca 0.08 -1.64 -0.21 0.00 0.00 0.00 0.00 61.98 60.21 2wh2 s VAL 66 Cb -0.11 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.79 2wh2 s VAL 66 CO 0.00 -1.13 0.67 -0.55 0.00 0.00 0.00 175.10 174.10 2wh2 s SER 67 N 3.16 6.31 0.00 3.32 0.15 -0.71 -4.79 113.70 121.15 2wh2 s SER 67 Ca 0.16 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2wh2 s SER 67 Cb -0.17 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2wh2 s SER 67 CO -0.02 -0.85 0.00 -1.22 1.20 0.00 0.00 173.24 172.35 2wh2 n TYR 68 N 6.38 0.00 0.00 3.44 4.02 -1.26 -1.86 117.16 127.88 2wh2 n TYR 68 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2wh2 n TYR 68 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 2wh2 n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh2 n GLY 69 N 0.00 0.00 3.70 2.72 0.00 -1.26 -5.06 105.19 105.29 2wh2 n GLY 69 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wh2 n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh2 s VAL 70 N -1.35 4.56 0.60 1.61 1.01 -0.78 -5.03 120.40 121.02 2wh2 s VAL 70 Ca 0.00 1.84 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 2wh2 s VAL 70 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2wh2 s VAL 70 CO 0.00 0.10 1.09 -0.83 0.00 0.00 0.00 175.10 175.47 2wh2 s GLY 71 N 1.09 2.28 -0.14 4.51 0.00 -1.26 -1.73 107.32 112.08 2wh2 s GLY 71 Ca 0.54 0.57 -0.08 0.00 0.00 0.00 0.00 44.72 45.75 2wh2 s GLY 71 CO 0.26 0.91 0.33 0.14 0.00 0.00 0.00 173.10 174.74 2wh2 s VAL 72 N -2.21 -0.03 0.00 1.40 1.01 0.13 -4.85 120.40 115.85 2wh2 s VAL 72 Ca 0.67 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.84 2wh2 s VAL 72 Cb -0.20 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2wh2 s VAL 72 CO 0.35 0.05 -0.23 -1.83 0.00 0.00 0.00 175.10 173.43 2wh2 s GLU 73 N 1.24 1.78 -0.00 2.72 -1.05 -1.26 0.54 118.70 122.67 2wh2 s GLU 73 Ca -0.09 -0.90 0.06 0.00 -0.15 0.00 0.00 54.97 53.90 2wh2 s GLU 73 Cb -0.09 -1.79 -0.03 0.00 -0.44 0.00 0.00 34.13 31.78 2wh2 s GLU 73 CO -0.10 0.48 -0.19 1.03 0.95 0.00 0.00 175.26 177.43 2wh2 s ARG 74 N -0.78 2.20 -0.23 -4.83 1.81 0.27 -4.92 118.95 112.46 2wh2 s ARG 74 Ca 0.09 -0.89 -0.01 0.00 -1.72 0.00 0.00 55.73 53.20 2wh2 s ARG 74 Cb -0.09 -2.20 0.02 0.00 -0.45 0.00 0.00 34.95 32.23 2wh2 s ARG 74 CO 0.00 0.57 -0.09 0.42 -0.68 0.00 0.00 175.30 175.52 2wh2 s ILE 75 N -0.78 2.73 0.00 1.52 1.01 -1.26 -0.66 121.20 123.75 2wh2 s ILE 75 Ca 0.12 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.88 2wh2 s ILE 75 Cb -0.10 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2wh2 s ILE 75 CO 0.02 0.30 -0.18 -0.36 0.00 0.00 0.00 174.94 174.72 2wh2 s PHE 76 N 1.33 2.57 0.32 3.97 0.40 -0.60 -5.00 117.98 120.97 2wh2 s PHE 76 Ca 0.02 -0.25 0.30 0.00 -0.60 0.00 0.00 56.93 56.40 2wh2 s PHE 76 Cb -0.16 -1.53 1.44 0.00 0.51 0.00 0.00 43.02 43.29 2wh2 s PHE 76 CO -0.06 0.18 2.04 -1.35 0.70 0.00 0.00 175.22 176.73 2wh2 h PRO 77 N 4.96 0.00 -0.06 0.24 0.11 -1.87 -2.93 132.00 132.46 2wh2 h PRO 77 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2wh2 h PRO 77 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wh2 h PRO 77 CO 0.48 0.10 -0.02 -0.11 -0.21 0.00 0.00 178.00 178.24 2wh2 n LEU 78 N -3.40 -0.02 -3.81 2.35 0.00 -1.26 -4.11 117.00 106.75 2wh2 n LEU 78 Ca -0.01 0.03 -0.12 0.00 0.00 0.00 0.00 56.01 55.91 2wh2 n LEU 78 Cb 0.27 -0.80 -0.09 0.00 0.00 0.00 0.00 43.42 42.80 2wh2 n LEU 78 CO 0.29 -0.14 -0.06 -1.00 0.00 0.00 0.00 177.39 176.47 2wh2 s HIS 79 N -1.97 -0.09 0.00 1.96 3.76 -1.26 -4.91 115.29 112.77 2wh2 s HIS 79 Ca 0.00 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 2wh2 s HIS 79 Cb 0.00 0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.73 2wh2 s HIS 79 CO 0.00 -0.33 0.00 0.45 -0.85 0.00 0.00 174.74 174.01 2wh2 n SER 80 N 1.44 0.00 -4.51 1.40 2.88 -1.26 -4.81 113.62 108.77 2wh2 n SER 80 Ca -0.22 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.11 2wh2 n SER 80 Cb 0.56 0.00 -0.20 0.00 -0.75 0.00 0.00 64.21 63.82 2wh2 n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wh2 n PRO 81 N 12.79 0.11 -2.68 -1.46 -0.02 -1.26 -4.55 135.00 137.93 2wh2 n PRO 81 Ca 0.00 -0.15 -0.05 0.00 -2.02 0.00 0.00 63.50 61.28 2wh2 n PRO 81 Cb 0.00 -1.52 0.06 0.00 -0.02 0.00 0.00 33.50 32.03 2wh2 n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wh2 n LEU 82 N 8.14 -1.52 0.23 2.45 4.32 -1.24 -4.66 117.00 124.72 2wh2 n LEU 82 Ca 0.64 -1.77 0.01 0.00 -0.02 0.00 0.00 56.01 54.87 2wh2 n LEU 82 Cb 0.19 0.58 0.04 0.00 -1.62 0.00 0.00 43.42 42.62 2wh2 n LEU 82 CO 0.99 1.54 0.86 0.16 -1.22 0.00 0.00 177.39 179.72 2wh2 h ILE 83 N 1.79 0.00 0.00 -0.08 3.07 -1.80 -3.42 117.51 117.07 2wh2 h ILE 83 Ca -0.17 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2wh2 h ILE 83 Cb 1.18 0.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 2wh2 h ILE 83 CO -0.13 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 176.97 2wh2 n GLN 84 N -2.09 -0.52 0.00 0.16 10.64 -1.26 -5.10 117.38 119.20 2wh2 n GLN 84 Ca -0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wh2 n GLN 84 Cb 0.81 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.19 2wh2 n GLN 84 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2wh2 n LYS 85 N 0.00 0.00 -1.56 2.61 4.81 -1.26 -4.55 118.16 118.21 2wh2 n LYS 85 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.91 2wh2 n LYS 85 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 2wh2 n LYS 85 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2wh2 n ILE 86 N 0.00 0.28 -1.96 3.15 3.06 -1.26 -4.66 119.36 117.97 2wh2 n ILE 86 Ca 0.00 -0.16 -0.34 0.00 -2.50 0.00 0.00 62.75 59.75 2wh2 n ILE 86 Cb 0.00 -1.51 0.03 0.00 0.54 0.00 0.00 39.64 38.69 2wh2 n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wh2 s ASP 87 N 5.58 5.35 0.00 9.51 1.47 -1.25 -4.51 116.67 132.82 2wh2 s ASP 87 Ca 1.04 2.08 0.00 0.00 1.18 0.00 0.00 52.55 56.85 2wh2 s ASP 87 Cb -0.92 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.10 2wh2 s ASP 87 CO 0.55 -1.47 0.00 -0.38 0.68 0.00 0.00 175.17 174.56 2wh2 n ILE 88 N -1.95 0.00 -3.93 2.11 5.41 -1.11 -4.92 119.36 114.97 2wh2 n ILE 88 Ca 0.11 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.51 2wh2 n ILE 88 Cb 0.51 -0.07 -0.14 0.00 -0.71 0.00 0.00 39.64 39.24 2wh2 n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wh2 s VAL 89 N 0.08 2.93 -0.88 1.39 1.01 -1.08 -5.02 120.40 118.84 2wh2 s VAL 89 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 61.98 60.43 2wh2 s VAL 89 Cb 0.00 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.76 2wh2 s VAL 89 CO 0.00 -0.03 1.55 -1.10 0.00 0.00 0.00 175.10 175.53 2wh2 s GLN 90 N 1.26 3.17 0.00 2.72 -0.21 -1.26 -3.78 119.66 121.57 2wh2 s GLN 90 Ca -0.04 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.80 2wh2 s GLN 90 Cb -0.19 -4.90 0.00 0.00 1.00 0.00 0.00 33.01 28.92 2wh2 s GLN 90 CO -0.02 -2.49 0.00 0.54 -2.12 0.00 0.00 175.29 171.20 2wh2 n ARG 91 N 9.04 0.65 0.00 2.91 1.74 -1.26 -4.29 116.66 125.45 2wh2 n ARG 91 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 2wh2 n ARG 91 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 2wh2 n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh2 n GLY 92 N 0.81 1.55 2.59 -0.13 0.00 0.12 -4.32 105.19 105.81 2wh2 n GLY 92 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2wh2 n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wh2 n ARG 93 N 0.00 -2.49 -1.30 1.61 0.00 -1.26 -4.51 116.66 108.71 2wh2 n ARG 93 Ca 0.00 0.63 -0.58 0.00 -0.00 0.00 0.00 57.85 57.90 2wh2 n ARG 93 Cb 0.00 -5.26 -0.10 0.00 0.00 0.00 0.00 32.46 27.09 2wh2 n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh2 n ALA 94 N -2.45 -0.30 0.33 5.13 0.00 -1.26 -4.76 120.51 117.19 2wh2 n ALA 94 Ca -0.13 0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.65 2wh2 n ALA 94 Cb 0.61 -1.86 0.38 0.00 0.00 0.00 0.00 19.45 18.58 2wh2 n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 h ARG 95 N 6.98 0.00 -5.33 0.00 2.47 -1.92 -3.41 114.38 113.16 2wh2 h ARG 95 Ca -0.20 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.12 2wh2 h ARG 95 Cb 1.29 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.42 2wh2 h ARG 95 CO 0.96 0.00 -0.76 -0.98 0.56 0.00 0.00 179.97 179.75 2wh2 s ARG 96 N -4.01 0.95 0.04 0.04 1.70 -1.26 -5.08 118.95 111.34 2wh2 s ARG 96 Ca -0.02 -1.16 -0.24 0.00 -0.47 0.00 0.00 55.73 53.84 2wh2 s ARG 96 Cb 0.04 -0.83 -0.17 0.00 -0.57 0.00 0.00 34.95 33.42 2wh2 s ARG 96 CO 0.13 0.16 1.52 0.00 -1.08 0.00 0.00 175.30 176.03 2wh2 h ALA 97 N 3.70 0.02 -3.02 7.88 0.00 -1.96 -3.41 119.26 122.46 2wh2 h ALA 97 Ca -0.40 -0.12 -0.64 0.00 0.00 0.00 0.00 54.91 53.75 2wh2 h ALA 97 Cb 1.19 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 2wh2 h ALA 97 CO 0.49 -0.36 -0.61 0.15 0.00 0.00 0.00 179.25 178.91 2wh2 s LYS 98 N -5.28 3.72 -0.55 0.00 3.01 -1.26 -4.66 119.74 114.72 2wh2 s LYS 98 Ca -0.14 -0.45 0.07 0.00 -1.01 0.00 0.00 55.97 54.43 2wh2 s LYS 98 Cb 0.04 -3.30 0.25 0.00 -1.01 0.00 0.00 37.83 33.81 2wh2 s LYS 98 CO 0.67 -0.09 0.65 1.47 0.51 0.00 0.00 175.35 178.56 2wh2 n LEU 99 N 4.62 2.36 0.15 3.17 -0.00 -1.19 -4.82 117.00 121.28 2wh2 n LEU 99 Ca -0.16 -5.14 0.03 0.00 -0.00 0.00 0.00 56.01 50.74 2wh2 n LEU 99 Cb 0.52 -0.17 0.08 0.00 -0.00 0.00 0.00 43.42 43.85 2wh2 n LEU 99 CO 0.32 2.05 0.51 1.88 -0.00 0.00 0.00 177.39 182.15 2wh2 h TYR 100 N 4.19 0.00 0.00 1.47 -1.99 -1.95 -3.29 116.97 115.39 2wh2 h TYR 100 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 2wh2 h TYR 100 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2wh2 h TYR 100 CO 0.58 0.48 0.71 0.27 -0.00 0.00 0.00 178.16 180.20 2wh2 h PHE 101 N 0.00 0.00 -0.03 4.88 -0.00 -1.98 -0.41 116.94 119.41 2wh2 h PHE 101 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.96 2wh2 h PHE 101 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.25 2wh2 h PHE 101 CO 0.00 0.00 0.01 0.82 -0.00 0.00 0.00 178.31 179.14 2wh2 h ILE 102 N 0.00 1.14 -1.27 0.88 2.04 -1.81 -3.17 117.51 115.31 2wh2 h ILE 102 Ca 0.00 -0.40 0.40 0.00 1.00 0.00 0.00 64.86 65.85 2wh2 h ILE 102 Cb 1.41 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.77 2wh2 h ILE 102 CO 0.00 0.11 0.88 0.54 0.00 0.00 0.00 178.15 179.68 2wh2 n ARG 103 N -4.98 -0.01 0.00 2.37 1.74 -0.16 -3.46 116.66 112.15 2wh2 n ARG 103 Ca -0.07 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 2wh2 n ARG 103 Cb 0.11 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 2wh2 n ARG 103 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wh2 n ASN 104 N -3.76 0.00 -4.21 0.55 3.02 -1.20 -4.79 115.26 104.87 2wh2 n ASN 104 Ca 0.32 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.81 2wh2 n ASN 104 Cb 1.35 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 40.47 2wh2 n ASN 104 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wh2 n LEU 105 N 0.00 -1.00 -3.82 3.41 4.77 -1.22 -4.74 117.00 114.40 2wh2 n LEU 105 Ca 0.00 -1.58 -0.10 0.00 -0.03 0.00 0.00 56.01 54.30 2wh2 n LEU 105 Cb 0.00 -0.91 -0.07 0.00 -2.33 0.00 0.00 43.42 40.11 2wh2 n LEU 105 CO 0.00 -2.13 -0.06 -0.94 -1.33 0.00 0.00 177.39 172.93 2wh2 s SER 106 N 2.48 0.04 0.00 -1.43 1.04 -1.23 -4.52 113.70 110.07 2wh2 s SER 106 Ca 0.37 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.31 2wh2 s SER 106 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 2wh2 s SER 106 CO 0.11 -0.68 0.00 -0.90 0.98 0.00 0.00 173.24 172.74 2wh2 n ASP 107 N 0.20 0.00 -0.05 7.02 5.75 -1.26 -4.69 116.55 123.51 2wh2 n ASP 107 Ca -0.17 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.50 2wh2 n ASP 107 Cb 0.61 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.56 2wh2 n ASP 107 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2wh2 n ARG 108 N 0.00 0.66 -0.33 0.11 1.85 -1.26 -3.85 116.66 113.84 2wh2 n ARG 108 Ca 0.00 0.20 0.14 0.00 -1.00 0.00 0.00 57.85 57.19 2wh2 n ARG 108 Cb 0.00 -1.69 0.36 0.00 -1.05 0.00 0.00 32.46 30.08 2wh2 n ARG 108 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2wh2 h GLU 109 N 0.01 0.68 0.26 2.89 5.08 -1.91 0.23 114.58 121.81 2wh2 h GLU 109 Ca -0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2wh2 h GLU 109 Cb 2.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 2wh2 h GLU 109 CO 0.06 0.45 -0.26 0.82 -1.00 0.00 0.00 179.01 179.08 2wh2 h ILE 110 N 0.70 0.45 -0.90 3.13 2.04 -1.80 0.23 117.51 121.36 2wh2 h ILE 110 Ca 0.56 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.49 2wh2 h ILE 110 Cb 0.95 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 2wh2 h ILE 110 CO -0.34 0.00 0.56 0.03 0.00 0.00 0.00 178.15 178.41 2wh2 h ARG 111 N -0.55 0.97 -0.95 2.37 3.08 -1.12 0.42 114.38 118.61 2wh2 h ARG 111 Ca -0.01 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.03 2wh2 h ARG 111 Cb 0.51 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 2wh2 h ARG 111 CO -0.06 0.64 0.62 0.00 -1.07 0.00 0.00 179.97 180.11 2wh2 h ARG 112 N 1.00 1.15 -0.01 0.04 3.08 0.32 -2.27 114.38 117.69 2wh2 h ARG 112 Ca 0.40 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2wh2 h ARG 112 Cb 0.22 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wh2 h ARG 112 CO -0.19 0.76 -0.31 1.63 -1.07 0.00 0.00 179.97 180.79 2wh2 n LYS 113 N -4.45 0.60 -3.06 0.04 4.01 0.70 -4.27 118.16 111.73 2wh2 n LYS 113 Ca 0.13 -0.34 -0.23 0.00 -0.51 0.00 0.00 58.31 57.36 2wh2 n LYS 113 Cb 0.11 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.10 2wh2 n LYS 113 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wh2 n LEU 114 N -0.91 2.92 -4.64 -0.35 4.77 0.02 -4.86 117.00 113.96 2wh2 n LEU 114 Ca 0.11 -5.39 -0.30 0.00 -0.03 0.00 0.00 56.01 50.40 2wh2 n LEU 114 Cb 0.34 -0.03 0.18 0.00 -2.33 0.00 0.00 43.42 41.58 2wh2 n LEU 114 CO 0.28 2.32 0.62 -0.13 -1.33 0.00 0.00 177.39 179.15 2wh2 s ARG 115 N -2.99 0.53 0.37 3.23 1.81 -1.17 -4.21 118.95 116.52 2wh2 s ARG 115 Ca 0.45 0.98 -0.28 0.00 -1.72 0.00 0.00 55.73 55.17 2wh2 s ARG 115 Cb 0.30 -1.71 -0.10 0.00 -0.45 0.00 0.00 34.95 32.99 2wh2 s ARG 115 CO -0.11 -2.79 1.35 0.00 -0.68 0.00 0.00 175.30 173.07 2wh2 s ALA 116 N -2.73 3.43 -0.57 2.13 0.00 -1.26 0.11 121.76 122.87 2wh2 s ALA 116 Ca 0.66 1.33 -0.09 0.00 0.00 0.00 0.00 51.96 53.85 2wh2 s ALA 116 Cb -0.21 -3.51 0.15 0.00 0.00 0.00 0.00 23.12 19.54 2wh2 s ALA 116 CO 0.59 -0.81 0.45 0.34 0.00 0.00 0.00 175.76 176.34 2wh2 s ASP 117 N -0.49 5.84 0.00 0.00 2.15 -1.26 -4.64 116.67 118.27 2wh2 s ASP 117 Ca 0.53 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 51.27 2wh2 s ASP 117 Cb -0.41 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2wh2 s ASP 117 CO 0.54 -0.62 0.88 0.54 -0.17 0.00 0.00 175.17 176.34 2wh2 n ARG 118 N 4.48 0.00 0.00 4.34 3.00 -1.26 -1.31 116.66 125.91 2wh2 n ARG 118 Ca -0.01 0.47 0.00 0.00 -0.01 0.00 0.00 57.85 58.30 2wh2 n ARG 118 Cb 0.41 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.50 2wh2 n ARG 118 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2wh2 n LYS 119 N -1.80 0.00 0.02 5.56 4.81 -1.26 0.43 118.16 125.93 2wh2 n LYS 119 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2wh2 n LYS 119 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 2wh2 n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wh2 h ARG 120 N 0.00 0.62 0.58 1.64 3.08 -1.88 -3.26 114.38 115.16 2wh2 h ARG 120 Ca 0.00 -0.57 -0.02 0.00 0.07 0.00 0.00 59.98 59.46 2wh2 h ARG 120 Cb 0.00 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2wh2 h ARG 120 CO 0.00 1.18 -0.39 0.82 -1.07 0.00 0.00 179.97 180.51 2wh2 h ILE 121 N 0.40 0.20 -0.66 2.04 1.08 1.03 -2.76 117.51 118.84 2wh2 h ILE 121 Ca -0.07 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.59 2wh2 h ILE 121 Cb 1.48 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.41 2wh2 h ILE 121 CO 0.16 0.00 0.61 0.44 -0.69 0.00 0.00 178.15 178.67 2wh2 h ASP 122 N -0.94 0.00 -0.17 1.72 3.32 -1.00 0.24 116.42 119.59 2wh2 h ASP 122 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2wh2 h ASP 122 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2wh2 h ASP 122 CO 0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 2wh2 n GLN 123 N -3.84 1.68 -0.12 3.56 10.64 -1.04 -2.40 117.38 125.86 2wh2 n GLN 123 Ca 0.13 -1.03 -0.25 0.00 -1.83 0.00 0.00 57.00 54.02 2wh2 n GLN 123 Cb 0.85 -1.37 -0.08 0.00 -0.86 0.00 0.00 30.24 28.78 2wh2 n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wh2 n ASP 124 N 0.27 1.86 0.29 2.61 9.92 0.84 -3.31 116.55 129.02 2wh2 n ASP 124 Ca 0.15 0.32 0.16 0.00 -0.53 0.00 0.00 54.79 54.89 2wh2 n ASP 124 Cb 0.31 -0.76 0.91 0.00 -0.64 0.00 0.00 41.12 40.93 2wh2 n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2wh2 h ARG 125 N -0.94 0.00 0.00 -1.24 2.47 -1.60 -1.00 114.38 112.06 2wh2 h ARG 125 Ca -0.55 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.16 2wh2 h ARG 125 Cb 1.47 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2wh2 h ARG 125 CO -0.34 0.04 -1.36 0.00 0.56 0.00 0.00 179.97 178.87 2wh2 n ALA 126 N -2.25 2.61 -0.04 0.04 0.00 -1.01 -3.93 120.51 115.93 2wh2 n ALA 126 Ca -0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 2wh2 n ALA 126 Cb 0.13 -0.98 0.19 0.00 0.00 0.00 0.00 19.45 18.79 2wh2 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n ALA 127 N -2.21 3.45 0.28 0.00 0.00 -0.39 -4.24 120.51 117.40 2wh2 n ALA 127 Ca -0.02 -1.13 0.16 0.00 0.00 0.00 0.00 53.44 52.45 2wh2 n ALA 127 Cb 0.56 -1.11 0.80 0.00 0.00 0.00 0.00 19.45 19.71 2wh2 n ALA 127 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2wh2 h GLU 128 N 1.72 0.00 -5.54 0.00 -0.00 -1.66 -3.46 114.58 105.65 2wh2 h GLU 128 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.44 2wh2 h GLU 128 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.20 2wh2 h GLU 128 CO 0.34 0.00 0.00 -2.13 -0.00 0.00 0.00 179.01 177.22 2wh2 n ARG 129 N -2.67 -0.73 -0.77 1.06 3.00 -1.26 -4.67 116.66 110.62 2wh2 n ARG 129 Ca -0.01 -0.36 -0.06 0.00 -0.00 0.00 0.00 57.85 57.41 2wh2 n ARG 129 Cb 0.12 0.65 0.21 0.00 0.00 0.00 0.00 32.46 33.44 2wh2 n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wh2 n ALA 130 N -0.68 4.14 -1.54 5.13 0.00 -1.26 -4.91 120.51 121.40 2wh2 n ALA 130 Ca 0.00 -1.75 -0.42 0.00 0.00 0.00 0.00 53.44 51.27 2wh2 n ALA 130 Cb 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.19 2wh2 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh2 n ALA 131 N -0.14 1.17 0.04 0.00 0.00 -1.26 -4.76 120.51 115.55 2wh2 n ALA 131 Ca 0.32 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wh2 n ALA 131 Cb 1.15 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 17.72 2wh2 n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh2 n LYS 132 N 8.69 0.37 -0.22 0.00 5.02 -1.26 -4.48 118.16 126.28 2wh2 n LYS 132 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2wh2 n LYS 132 Cb 0.39 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 2wh2 n LYS 132 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wh2 n GLU 133 N 1.42 0.56 -4.55 1.97 -0.58 -1.26 -4.73 120.64 113.46 2wh2 n GLU 133 Ca 0.00 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.53 2wh2 n GLU 133 Cb 0.19 -1.22 -0.15 0.00 -0.57 0.00 0.00 31.44 29.69 2wh2 n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2wh2 s GLU 134 N 0.80 1.05 -0.94 3.49 2.56 -1.26 -4.62 118.70 119.77 2wh2 s GLU 134 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.97 54.50 2wh2 s GLU 134 Cb 0.00 -1.00 0.00 0.00 2.00 0.00 0.00 34.13 35.13 2wh2 s GLU 134 CO 0.00 0.24 0.81 0.00 -0.56 0.00 0.00 175.26 175.75 2wh2 n ALA 135 N 2.88 -1.21 0.00 6.30 0.00 -1.26 -4.73 120.51 122.49 2wh2 n ALA 135 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2wh2 n ALA 135 Cb 0.55 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.89 2wh2 n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wh2 n GLN 136 N -3.58 0.00 -2.80 0.00 -0.06 -1.26 -5.03 117.38 104.65 2wh2 n GLN 136 Ca -0.10 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.54 2wh2 n GLN 136 Cb 0.58 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.76 2wh2 n GLN 136 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2wh2 n LYS 137 N 0.00 4.56 0.00 3.69 0.00 -1.26 -5.16 118.16 120.00 2wh2 n LYS 137 Ca 0.00 -4.72 0.00 0.00 0.00 0.00 0.00 58.31 53.59 2wh2 n LYS 137 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 35.03 32.64 2wh2 n LYS 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40