#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 s ARG 3 N 0.00 2.93 0.00 0.00 1.70 -1.26 -4.28 118.95 118.04 2wh1 s ARG 3 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 2wh1 s ARG 3 Cb 0.00 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 2wh1 s ARG 3 CO 0.00 -0.51 0.00 -0.89 -1.08 0.00 0.00 175.30 172.82 2wh1 n ILE 4 N -2.32 0.00 -1.97 4.99 5.41 -1.21 -5.00 119.36 119.26 2wh1 n ILE 4 Ca 0.03 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.46 2wh1 n ILE 4 Cb 0.58 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.52 2wh1 n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wh1 s ALA 5 N -1.39 2.80 0.00 -1.39 0.00 -1.26 -4.85 121.76 115.67 2wh1 s ALA 5 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2wh1 s ALA 5 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2wh1 s ALA 5 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2wh1 n GLY 6 N -1.44 0.00 0.52 0.00 0.00 -1.26 -1.55 105.19 101.46 2wh1 n GLY 6 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2wh1 n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh1 n VAL 7 N 0.00 0.32 -2.71 1.61 0.31 -1.26 -5.09 118.33 111.50 2wh1 n VAL 7 Ca 0.00 -0.47 -0.34 0.00 -0.01 0.00 0.00 64.34 63.52 2wh1 n VAL 7 Cb 0.00 0.42 -0.06 0.00 -0.91 0.00 0.00 33.84 33.29 2wh1 n VAL 7 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2wh1 s GLU 8 N -0.48 4.09 -0.29 5.55 8.01 -0.59 -4.98 118.70 130.00 2wh1 s GLU 8 Ca 0.08 1.23 0.04 0.00 0.01 0.00 0.00 54.97 56.33 2wh1 s GLU 8 Cb 0.08 -2.19 0.18 0.00 -4.31 0.00 0.00 34.13 27.90 2wh1 s GLU 8 CO -0.01 -0.16 0.51 0.42 0.01 0.00 0.00 175.26 176.02 2wh1 s ILE 9 N -2.07 -0.84 0.00 -1.63 1.09 -1.26 -3.35 121.20 113.15 2wh1 s ILE 9 Ca 0.63 -0.13 -0.16 0.00 -1.10 0.00 0.00 60.65 59.90 2wh1 s ILE 9 Cb -0.12 -0.99 -0.06 0.00 -1.06 0.00 0.00 42.46 40.22 2wh1 s ILE 9 CO 0.16 -0.13 0.44 -2.16 -0.10 0.00 0.00 174.94 173.15 2wh1 s PRO 10 N 2.70 3.99 0.15 2.79 0.04 -1.26 -4.95 135.00 138.46 2wh1 s PRO 10 Ca 0.10 0.46 -0.04 0.00 0.04 0.00 0.00 61.00 61.56 2wh1 s PRO 10 Cb -0.11 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 2wh1 s PRO 10 CO -0.28 0.65 0.16 1.03 0.04 0.00 0.00 177.00 178.61 2wh1 s ARG 11 N -0.98 1.04 0.00 4.56 0.52 -1.26 -4.22 118.95 118.61 2wh1 s ARG 11 Ca 0.25 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 2wh1 s ARG 11 Cb -0.17 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.60 2wh1 s ARG 11 CO 0.14 -0.34 0.00 0.09 0.02 0.00 0.00 175.30 175.21 2wh1 n ASN 12 N -0.15 -4.87 -1.24 0.23 3.02 -1.26 -4.92 115.26 106.06 2wh1 n ASN 12 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 2wh1 n ASN 12 Cb 0.63 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 2wh1 n ASN 12 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wh1 n LYS 13 N 0.46 2.72 -3.07 3.52 5.02 -1.26 -4.87 118.16 120.68 2wh1 n LYS 13 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2wh1 n LYS 13 Cb 0.41 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.37 2wh1 n LYS 13 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wh1 s ARG 14 N -0.83 4.43 0.37 1.97 0.52 -1.26 -0.96 118.95 123.19 2wh1 s ARG 14 Ca 0.00 0.89 0.14 0.00 -0.52 0.00 0.00 55.73 56.24 2wh1 s ARG 14 Cb 0.00 -3.40 0.98 0.00 0.52 0.00 0.00 34.95 33.05 2wh1 s ARG 14 CO 0.00 0.18 1.80 -0.39 0.02 0.00 0.00 175.30 176.91 2wh1 h VAL 15 N 4.47 0.62 -0.88 3.52 -1.51 -1.47 -1.19 116.25 119.80 2wh1 h VAL 15 Ca -0.43 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 64.86 2wh1 h VAL 15 Cb 1.20 0.06 -0.04 0.00 -2.13 0.00 0.00 31.29 30.38 2wh1 h VAL 15 CO 0.73 0.09 0.51 -2.24 -1.23 0.00 0.00 177.57 175.43 2wh1 h ASP 16 N 0.51 1.08 0.81 4.19 -0.00 -1.87 -2.61 116.42 118.53 2wh1 h ASP 16 Ca 0.56 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.50 2wh1 h ASP 16 Cb 1.22 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 40.28 2wh1 h ASP 16 CO -0.29 0.85 -1.09 0.52 -0.00 0.00 0.00 179.24 179.23 2wh1 n VAL 17 N -4.37 0.48 -0.16 4.15 0.31 -0.95 -4.08 118.33 113.71 2wh1 n VAL 17 Ca 0.09 -0.49 -0.10 0.00 -0.01 0.00 0.00 64.34 63.83 2wh1 n VAL 17 Cb 0.08 -0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 32.78 2wh1 n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh1 h ALA 18 N 2.10 0.62 -0.64 3.52 0.00 -1.00 -2.68 119.26 121.17 2wh1 h ALA 18 Ca 0.00 -0.30 0.18 0.00 0.00 0.00 0.00 54.91 54.79 2wh1 h ALA 18 Cb 0.95 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2wh1 h ALA 18 CO 0.00 0.45 0.45 -0.07 0.00 0.00 0.00 179.25 180.09 2wh1 h LEU 19 N 0.67 0.04 -0.93 0.00 -0.00 -1.62 0.30 115.31 113.77 2wh1 h LEU 19 Ca 0.12 0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.23 2wh1 h LEU 19 Cb 0.56 -0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.09 2wh1 h LEU 19 CO 0.03 0.02 0.46 0.74 -0.00 0.00 0.00 178.44 179.69 2wh1 h THR 20 N 0.04 0.50 0.00 0.22 2.02 -1.67 -2.73 112.91 111.29 2wh1 h THR 20 Ca 0.30 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 67.17 2wh1 h THR 20 Cb 1.16 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2wh1 h THR 20 CO -0.01 0.08 1.17 -1.22 0.37 0.00 0.00 175.52 175.91 2wh1 n TYR 21 N -4.99 0.44 -3.69 3.16 0.53 0.09 -4.60 117.16 108.12 2wh1 n TYR 21 Ca 0.24 -0.98 -0.11 0.00 -1.02 0.00 0.00 57.90 56.03 2wh1 n TYR 21 Cb 0.68 -1.04 -0.09 0.00 -1.03 0.00 0.00 39.34 37.86 2wh1 n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2wh1 s ILE 22 N 3.30 -0.01 -0.15 -0.72 1.01 -1.03 -4.75 121.20 118.84 2wh1 s ILE 22 Ca 0.23 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 2wh1 s ILE 22 Cb 0.08 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 2wh1 s ILE 22 CO -0.01 0.01 1.36 -0.47 0.00 0.00 0.00 174.94 175.83 2wh1 s TYR 23 N 0.88 2.63 0.00 3.97 6.04 -1.26 -1.98 117.35 127.63 2wh1 s TYR 23 Ca -0.05 0.81 0.00 0.00 0.04 0.00 0.00 57.07 57.87 2wh1 s TYR 23 Cb -0.05 -3.63 0.00 0.00 -1.04 0.00 0.00 41.96 37.24 2wh1 s TYR 23 CO -0.07 -2.20 0.00 0.41 -1.54 0.00 0.00 175.55 172.15 2wh1 n GLY 24 N 3.79 0.61 3.15 8.97 0.00 -1.26 -0.93 105.19 119.52 2wh1 n GLY 24 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2wh1 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wh1 s ILE 25 N -2.01 2.19 0.47 -0.61 1.09 -0.84 -4.94 121.20 116.55 2wh1 s ILE 25 Ca 0.00 -0.90 0.02 0.00 -1.10 0.00 0.00 60.65 58.67 2wh1 s ILE 25 Cb 0.00 -1.92 -0.02 0.00 -1.06 0.00 0.00 42.46 39.46 2wh1 s ILE 25 CO 0.00 0.53 0.05 -0.83 -0.10 0.00 0.00 174.94 174.59 2wh1 s GLY 26 N 1.23 2.85 0.39 6.18 0.00 -1.26 -4.33 107.32 112.37 2wh1 s GLY 26 Ca 0.03 -0.78 0.16 0.00 0.00 0.00 0.00 44.72 44.13 2wh1 s GLY 26 CO -0.10 -2.05 1.81 1.70 0.00 0.00 0.00 173.10 174.45 2wh1 h LYS 27 N 1.54 0.46 0.15 2.90 1.63 -1.94 0.41 116.57 121.71 2wh1 h LYS 27 Ca -0.41 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 2wh1 h LYS 27 Cb 1.30 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2wh1 h LYS 27 CO 0.68 0.31 -0.07 0.00 -3.45 0.00 0.00 179.45 176.91 2wh1 h ALA 28 N 1.62 -0.97 0.00 5.00 0.00 -1.98 -2.27 119.26 120.66 2wh1 h ALA 28 Ca 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2wh1 h ALA 28 Cb 1.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wh1 h ALA 28 CO -0.26 -0.96 0.00 0.54 0.00 0.00 0.00 179.25 178.57 2wh1 n ARG 29 N -2.59 0.07 0.00 0.00 1.74 -0.79 -2.76 116.66 112.33 2wh1 n ARG 29 Ca -0.03 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2wh1 n ARG 29 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2wh1 n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh1 n ALA 30 N -1.06 0.00 0.19 7.54 0.00 0.14 -3.42 120.51 123.89 2wh1 n ALA 30 Ca 0.02 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2wh1 n ALA 30 Cb 0.01 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.56 2wh1 n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wh1 n LYS 31 N -1.48 0.07 -0.05 0.00 5.02 -1.03 -1.66 118.16 119.04 2wh1 n LYS 31 Ca 0.00 0.17 -0.12 0.00 -2.02 0.00 0.00 58.31 56.34 2wh1 n LYS 31 Cb 0.00 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.40 2wh1 n LYS 31 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2wh1 h GLU 32 N 0.00 -0.02 -0.01 1.97 4.22 -1.64 -3.27 114.58 115.83 2wh1 h GLU 32 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2wh1 h GLU 32 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2wh1 h GLU 32 CO 0.00 0.76 0.00 0.00 -2.18 0.00 0.00 179.01 177.59 2wh1 n ALA 33 N -2.57 2.63 0.20 2.92 0.00 -0.67 -3.18 120.51 119.85 2wh1 n ALA 33 Ca -0.09 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.28 2wh1 n ALA 33 Cb 0.38 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 2wh1 n ALA 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh1 n LEU 34 N -0.76 0.69 -0.03 0.00 4.77 -1.10 -3.02 117.00 117.56 2wh1 n LEU 34 Ca 0.18 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 56.17 2wh1 n LEU 34 Cb 0.11 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 2wh1 n LEU 34 CO 0.14 -0.12 -0.64 1.05 -1.33 0.00 0.00 177.39 176.49 2wh1 h GLU 35 N 0.00 0.18 -0.15 3.23 4.11 -1.63 -1.85 114.58 118.48 2wh1 h GLU 35 Ca 0.00 -0.31 -0.12 0.00 0.07 0.00 0.00 59.36 59.00 2wh1 h GLU 35 Cb 0.94 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2wh1 h GLU 35 CO 0.00 1.15 -0.45 0.87 0.07 0.00 0.00 179.01 180.65 2wh1 h LYS 36 N -0.34 0.36 0.00 1.06 1.79 -1.73 -2.29 116.57 115.43 2wh1 h LYS 36 Ca -0.38 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2wh1 h LYS 36 Cb 1.75 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.41 2wh1 h LYS 36 CO -0.01 0.74 -0.33 0.25 -1.08 0.00 0.00 179.45 179.02 2wh1 n THR 37 N -4.00 0.05 -3.48 -0.16 -2.24 -1.17 -4.97 114.28 98.32 2wh1 n THR 37 Ca -0.02 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.54 2wh1 n THR 37 Cb 0.52 -0.06 0.09 0.00 -2.10 0.00 0.00 70.33 68.78 2wh1 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wh1 n GLY 38 N 1.48 -0.42 3.21 3.38 0.00 -0.86 -4.88 105.19 107.11 2wh1 n GLY 38 Ca 0.06 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2wh1 n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wh1 s ILE 39 N -3.35 1.74 0.24 -0.61 1.01 -0.71 -5.03 121.20 114.50 2wh1 s ILE 39 Ca 0.18 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.63 2wh1 s ILE 39 Cb -0.08 -1.48 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 2wh1 s ILE 39 CO 0.73 0.49 1.17 0.21 0.00 0.00 0.00 174.94 177.54 2wh1 s ASN 40 N -0.16 7.12 0.08 3.58 2.47 -1.26 -4.70 114.94 122.07 2wh1 s ASN 40 Ca -0.01 2.30 -0.36 0.00 0.42 0.00 0.00 52.86 55.21 2wh1 s ASN 40 Cb -0.12 -2.62 -0.18 0.00 -1.45 0.00 0.00 41.25 36.88 2wh1 s ASN 40 CO 0.02 -0.30 1.58 -0.65 -3.72 0.00 0.00 177.10 174.03 2wh1 h PRO 41 N 4.50 -1.07 -0.97 0.43 0.11 -1.98 -3.27 132.00 129.75 2wh1 h PRO 41 Ca -0.46 0.07 0.31 0.00 0.11 0.00 0.00 66.00 66.04 2wh1 h PRO 41 Cb 1.21 0.24 -0.16 0.00 0.11 0.00 0.00 31.00 32.41 2wh1 h PRO 41 CO 0.71 -0.71 0.41 0.00 -0.21 0.00 0.00 178.00 178.19 2wh1 h ALA 42 N -0.96 1.72 -2.16 -0.75 0.00 -1.95 -3.14 119.26 112.02 2wh1 h ALA 42 Ca -0.09 0.23 -0.60 0.00 0.00 0.00 0.00 54.91 54.45 2wh1 h ALA 42 Cb 0.90 0.29 0.05 0.00 0.00 0.00 0.00 17.79 19.03 2wh1 h ALA 42 CO 0.08 -0.62 0.79 0.25 0.00 0.00 0.00 179.25 179.74 2wh1 n THR 43 N -5.20 0.07 -1.85 0.00 -2.24 -1.24 -4.67 114.28 99.16 2wh1 n THR 43 Ca 0.29 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.69 2wh1 n THR 43 Cb 0.94 -1.47 0.05 0.00 -2.10 0.00 0.00 70.33 67.74 2wh1 n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wh1 s ARG 44 N 1.25 2.92 0.04 -0.78 1.81 -1.26 -2.91 118.95 120.02 2wh1 s ARG 44 Ca 0.81 2.05 0.20 0.00 -1.72 0.00 0.00 55.73 57.08 2wh1 s ARG 44 Cb -0.72 -2.04 0.84 0.00 -0.45 0.00 0.00 34.95 32.59 2wh1 s ARG 44 CO 0.41 -1.31 1.64 0.28 -0.68 0.00 0.00 175.30 175.64 2wh1 n VAL 45 N -1.45 0.68 0.22 3.52 0.31 -0.14 -2.76 118.33 118.70 2wh1 n VAL 45 Ca 0.13 0.15 0.11 0.00 -0.01 0.00 0.00 64.34 64.72 2wh1 n VAL 45 Cb 0.47 -0.85 0.38 0.00 -0.91 0.00 0.00 33.84 32.93 2wh1 n VAL 45 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2wh1 h LYS 46 N 0.00 0.00 -2.04 5.55 2.10 -1.90 -3.41 116.57 116.87 2wh1 h LYS 46 Ca 0.00 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.26 2wh1 h LYS 46 Cb 0.36 0.00 -0.32 0.00 -0.90 0.00 0.00 32.23 31.37 2wh1 h LYS 46 CO 0.00 0.16 -0.70 0.16 -2.00 0.00 0.00 179.45 177.07 2wh1 s ASP 47 N -6.12 1.40 -0.16 7.07 1.47 -1.11 -5.03 116.67 114.19 2wh1 s ASP 47 Ca 0.03 -1.56 -0.07 0.00 1.18 0.00 0.00 52.55 52.12 2wh1 s ASP 47 Cb 0.08 0.46 0.07 0.00 -0.34 0.00 0.00 42.92 43.19 2wh1 s ASP 47 CO 0.64 -0.28 0.36 -1.48 0.68 0.00 0.00 175.17 175.09 2wh1 s LEU 48 N 1.49 -0.19 0.00 2.11 2.34 -1.26 -4.74 118.68 118.43 2wh1 s LEU 48 Ca 0.16 0.81 -0.00 0.00 0.06 0.00 0.00 54.13 55.16 2wh1 s LEU 48 Cb -0.16 1.15 -0.00 0.00 -0.56 0.00 0.00 46.19 46.62 2wh1 s LEU 48 CO -0.06 -0.21 0.00 0.41 -1.06 0.00 0.00 176.35 175.44 2wh1 n THR 49 N 4.72 0.01 -0.25 5.48 -1.04 -1.26 -4.49 114.28 117.45 2wh1 n THR 49 Ca -0.17 -0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.04 2wh1 n THR 49 Cb 0.52 0.00 0.52 0.00 -1.82 0.00 0.00 70.33 69.56 2wh1 n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2wh1 h GLU 50 N 0.01 0.37 0.13 -2.82 4.39 -2.00 0.10 114.58 114.76 2wh1 h GLU 50 Ca -0.00 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.44 2wh1 h GLU 50 Cb 0.01 -0.08 0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2wh1 h GLU 50 CO 0.00 0.25 -1.00 0.00 -1.16 0.00 0.00 179.01 177.10 2wh1 h ALA 51 N 1.61 -0.05 -1.08 3.43 0.00 -1.99 -2.50 119.26 118.68 2wh1 h ALA 51 Ca 0.48 -0.72 0.29 0.00 0.00 0.00 0.00 54.91 54.97 2wh1 h ALA 51 Cb 1.25 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 2wh1 h ALA 51 CO -0.18 0.51 0.73 0.93 0.00 0.00 0.00 179.25 181.23 2wh1 h GLU 52 N -0.06 0.22 0.00 0.00 5.08 -1.10 0.97 114.58 119.70 2wh1 h GLU 52 Ca -0.16 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2wh1 h GLU 52 Cb 1.74 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2wh1 h GLU 52 CO 0.19 0.15 -0.00 0.28 -1.00 0.00 0.00 179.01 178.63 2wh1 h VAL 53 N 0.23 1.65 -0.09 3.13 2.07 -1.34 -1.90 116.25 120.00 2wh1 h VAL 53 Ca 0.57 -2.17 0.04 0.00 0.82 0.00 0.00 66.70 65.97 2wh1 h VAL 53 Cb 1.78 3.08 -0.06 0.00 -1.52 0.00 0.00 31.29 34.57 2wh1 h VAL 53 CO -0.18 0.55 -0.33 0.58 0.02 0.00 0.00 177.57 178.20 2wh1 h VAL 54 N -0.97 0.28 -0.71 2.57 2.07 -0.55 0.76 116.25 119.70 2wh1 h VAL 54 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2wh1 h VAL 54 Cb 0.90 0.28 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 2wh1 h VAL 54 CO 0.00 0.00 -0.05 -0.09 0.02 0.00 0.00 177.57 177.45 2wh1 h ARG 55 N -0.43 0.07 -0.50 1.57 2.43 0.77 0.17 114.38 118.46 2wh1 h ARG 55 Ca 0.08 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2wh1 h ARG 55 Cb 0.56 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2wh1 h ARG 55 CO -0.33 0.05 0.31 1.25 -1.51 0.00 0.00 179.97 179.74 2wh1 h LEU 56 N 0.07 0.59 -0.26 3.80 7.12 -0.34 -2.85 115.31 123.45 2wh1 h LEU 56 Ca 0.37 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.33 2wh1 h LEU 56 Cb 0.63 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 2wh1 h LEU 56 CO -0.65 0.46 0.11 -0.09 -0.13 0.00 0.00 178.44 178.14 2wh1 h ARG 57 N 0.67 0.38 -0.21 1.25 2.43 0.85 -2.81 114.38 116.94 2wh1 h ARG 57 Ca 0.18 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2wh1 h ARG 57 Cb -0.03 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2wh1 h ARG 57 CO -0.04 0.41 -0.29 0.93 -1.51 0.00 0.00 179.97 179.46 2wh1 h GLU 58 N 0.27 -0.21 0.00 0.20 4.39 -0.51 0.22 114.58 118.95 2wh1 h GLU 58 Ca 0.09 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2wh1 h GLU 58 Cb 0.16 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2wh1 h GLU 58 CO -0.01 -0.14 0.00 0.98 -1.16 0.00 0.00 179.01 178.68 2wh1 n TYR 59 N -4.11 0.00 -0.03 4.33 9.36 -1.14 -2.84 117.16 122.73 2wh1 n TYR 59 Ca -0.02 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.19 2wh1 n TYR 59 Cb 0.18 -0.42 -0.01 0.00 -0.63 0.00 0.00 39.34 38.46 2wh1 n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2wh1 n VAL 60 N -2.02 -0.04 -0.31 2.97 0.31 -1.06 0.58 118.33 118.76 2wh1 n VAL 60 Ca 0.00 1.44 0.35 0.00 -0.01 0.00 0.00 64.34 66.12 2wh1 n VAL 60 Cb 0.00 -1.90 0.72 0.00 -0.91 0.00 0.00 33.84 31.75 2wh1 n VAL 60 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2wh1 h GLU 61 N 0.00 0.00 0.00 5.55 4.81 -0.64 -2.86 114.58 121.44 2wh1 h GLU 61 Ca 0.01 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.95 2wh1 h GLU 61 Cb 0.03 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2wh1 h GLU 61 CO -0.06 0.00 -2.10 0.09 -0.73 0.00 0.00 179.01 176.21 2wh1 n ASN 62 N -3.93 2.38 -0.33 1.04 4.13 -0.52 -4.74 115.26 113.30 2wh1 n ASN 62 Ca 0.26 -0.06 -0.09 0.00 1.68 0.00 0.00 54.58 56.37 2wh1 n ASN 62 Cb 1.33 -0.34 -0.08 0.00 -1.54 0.00 0.00 39.78 39.16 2wh1 n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2wh1 n THR 63 N -3.16 -0.53 -2.79 3.41 -1.04 0.20 -4.81 114.28 105.55 2wh1 n THR 63 Ca -0.35 2.02 0.00 0.00 -2.04 0.00 0.00 64.05 63.69 2wh1 n THR 63 Cb 0.85 -2.51 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 2wh1 n THR 63 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2wh1 n TRP 64 N -4.86 0.00 -4.01 -1.42 2.14 -1.25 -5.10 117.44 102.94 2wh1 n TRP 64 Ca 0.02 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.29 2wh1 n TRP 64 Cb 0.20 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 30.65 2wh1 n TRP 64 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2wh1 s LYS 65 N 1.21 3.08 0.00 -2.67 2.47 -1.26 -4.91 119.74 117.65 2wh1 s LYS 65 Ca 0.00 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 53.76 2wh1 s LYS 65 Cb 0.00 -2.81 0.00 0.00 -1.46 0.00 0.00 37.83 33.56 2wh1 s LYS 65 CO 0.00 0.56 0.00 1.28 0.16 0.00 0.00 175.35 177.35 2wh1 n LEU 66 N 0.18 0.00 -1.13 5.43 4.32 -1.26 -4.80 117.00 119.73 2wh1 n LEU 66 Ca -0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.75 2wh1 n LEU 66 Cb 0.52 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.30 2wh1 n LEU 66 CO 0.46 0.00 0.31 1.21 -1.22 0.00 0.00 177.39 178.15 2wh1 n GLU 67 N 0.00 0.00 0.00 3.23 4.07 -0.10 0.34 120.64 128.18 2wh1 n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wh1 n GLU 67 Cb 0.00 -0.36 0.00 0.00 -0.06 0.00 0.00 31.44 31.02 2wh1 n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wh1 n GLY 68 N 1.13 0.00 0.28 8.31 0.00 -1.26 -4.22 105.19 109.44 2wh1 n GLY 68 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 2wh1 n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wh1 h GLU 69 N 0.00 0.60 0.01 1.61 4.22 -1.91 2.03 114.58 121.14 2wh1 h GLU 69 Ca 0.00 -0.04 -0.22 0.00 0.08 0.00 0.00 59.36 59.18 2wh1 h GLU 69 Cb 0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2wh1 h GLU 69 CO 0.00 0.40 -0.95 1.25 -2.18 0.00 0.00 179.01 177.53 2wh1 h LEU 70 N 0.62 0.43 -1.58 1.64 6.46 -0.28 -2.95 115.31 119.65 2wh1 h LEU 70 Ca 0.39 -0.36 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2wh1 h LEU 70 Cb 0.46 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2wh1 h LEU 70 CO -0.30 1.17 -0.22 -0.09 -0.62 0.00 0.00 178.44 178.38 2wh1 h ARG 71 N 0.18 0.00 -0.06 1.25 2.43 -0.91 -1.19 114.38 116.08 2wh1 h ARG 71 Ca -0.07 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 2wh1 h ARG 71 Cb 1.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.13 2wh1 h ARG 71 CO 0.16 0.22 -0.61 0.00 -1.51 0.00 0.00 179.97 178.23 2wh1 h ALA 72 N 1.78 0.86 0.09 2.80 0.00 0.33 -2.49 119.26 122.64 2wh1 h ALA 72 Ca -0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 2wh1 h ALA 72 Cb 0.49 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2wh1 h ALA 72 CO 0.03 0.73 -1.18 1.49 0.00 0.00 0.00 179.25 180.32 2wh1 h GLU 73 N 0.16 0.59 0.76 0.00 4.81 -1.22 -2.13 114.58 117.55 2wh1 h GLU 73 Ca -0.01 -0.75 -0.04 0.00 -0.13 0.00 0.00 59.36 58.44 2wh1 h GLU 73 Cb 1.11 0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.73 2wh1 h GLU 73 CO 0.09 1.33 -0.37 0.28 -0.73 0.00 0.00 179.01 179.61 2wh1 h VAL 74 N 0.28 0.00 -0.88 0.32 2.07 -1.20 -0.71 116.25 116.12 2wh1 h VAL 74 Ca -0.16 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.51 2wh1 h VAL 74 Cb 1.85 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2wh1 h VAL 74 CO 0.22 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.38 2wh1 h ALA 75 N -1.53 1.93 -0.49 1.67 0.00 -1.58 -0.65 119.26 118.62 2wh1 h ALA 75 Ca -0.10 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2wh1 h ALA 75 Cb 0.78 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2wh1 h ALA 75 CO 0.17 -0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.44 2wh1 h ALA 76 N 1.61 0.61 -0.48 0.00 0.00 -0.82 -1.89 119.26 118.28 2wh1 h ALA 76 Ca 0.45 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.45 2wh1 h ALA 76 Cb 0.82 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2wh1 h ALA 76 CO -0.20 -0.18 0.23 -0.91 0.00 0.00 0.00 179.25 178.20 2wh1 h ASN 77 N 0.40 0.31 -0.38 0.00 2.35 0.39 -0.51 115.58 118.14 2wh1 h ASN 77 Ca 0.23 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 56.07 2wh1 h ASN 77 Cb 0.20 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2wh1 h ASN 77 CO -0.21 0.22 0.26 0.40 -1.65 0.00 0.00 177.43 176.45 2wh1 h ILE 78 N 0.45 0.95 0.20 2.81 2.04 -1.13 0.33 117.51 123.16 2wh1 h ILE 78 Ca 0.22 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2wh1 h ILE 78 Cb 0.15 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2wh1 h ILE 78 CO -0.17 0.05 -0.10 0.11 0.00 0.00 0.00 178.15 178.05 2wh1 h LYS 79 N 0.28 -0.26 -0.81 2.37 1.57 -0.40 -3.03 116.57 116.29 2wh1 h LYS 79 Ca 0.17 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.16 2wh1 h LYS 79 Cb 0.31 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.55 2wh1 h LYS 79 CO -0.03 0.10 0.16 -0.09 -0.57 0.00 0.00 179.45 179.02 2wh1 h ARG 80 N -0.68 0.20 0.00 3.15 2.43 0.24 0.78 114.38 120.50 2wh1 h ARG 80 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wh1 h ARG 80 Cb 0.48 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2wh1 h ARG 80 CO 0.05 0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 2wh1 n LEU 81 N -5.23 0.00 0.07 3.80 4.77 0.99 -0.54 117.00 120.86 2wh1 n LEU 81 Ca 0.17 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 2wh1 n LEU 81 Cb 0.56 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 2wh1 n LEU 81 CO 0.08 -0.26 -0.14 0.00 -1.33 0.00 0.00 177.39 175.74 2wh1 h MET 82 N 0.00 0.18 0.00 3.23 -0.00 0.57 -3.35 114.93 115.56 2wh1 h MET 82 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 59.70 59.39 2wh1 h MET 82 Cb 0.01 0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.72 2wh1 h MET 82 CO 0.00 1.08 0.00 -0.40 -0.00 0.00 0.00 176.91 177.59 2wh1 n ASP 83 N -3.43 0.00 0.10 -0.10 3.85 0.30 -0.87 116.55 116.40 2wh1 n ASP 83 Ca -0.10 0.00 0.13 0.00 -0.71 0.00 0.00 54.79 54.11 2wh1 n ASP 83 Cb 1.01 0.00 0.40 0.00 -1.35 0.00 0.00 41.12 41.19 2wh1 n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 2wh1 n ILE 84 N 0.00 0.56 0.00 2.12 2.08 -1.26 -4.94 119.36 117.92 2wh1 n ILE 84 Ca 0.00 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.04 2wh1 n ILE 84 Cb 0.00 -0.56 0.00 0.00 -0.75 0.00 0.00 39.64 38.33 2wh1 n ILE 84 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2wh1 n GLY 85 N 1.32 0.75 3.77 7.39 0.00 -0.05 -5.10 105.19 113.28 2wh1 n GLY 85 Ca 0.06 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 2wh1 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 h TYR 87 N 3.20 -0.25 -0.14 0.00 3.20 -1.93 2.71 116.97 123.76 2wh1 h TYR 87 Ca -0.47 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 2wh1 h TYR 87 Cb 1.21 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2wh1 h TYR 87 CO 0.59 -0.34 0.06 -0.09 -1.64 0.00 0.00 178.16 176.74 2wh1 h ARG 88 N 0.03 0.19 -0.32 1.82 2.43 -1.93 -1.57 114.38 115.03 2wh1 h ARG 88 Ca 0.44 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.53 2wh1 h ARG 88 Cb 0.76 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2wh1 h ARG 88 CO -0.81 0.15 -0.06 0.78 -1.51 0.00 0.00 179.97 178.52 2wh1 h GLY 89 N 0.26 0.66 0.00 2.80 0.00 0.45 -3.42 103.07 103.83 2wh1 h GLY 89 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2wh1 h GLY 89 CO -0.01 0.49 0.00 1.04 0.00 0.00 0.00 176.54 178.06 2wh1 n LEU 90 N -4.47 0.00 0.00 3.11 4.77 0.42 -3.52 117.00 117.31 2wh1 n LEU 90 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2wh1 n LEU 90 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2wh1 n LEU 90 CO 0.40 -0.02 0.00 0.54 -1.33 0.00 0.00 177.39 176.98 2wh1 n ARG 91 N 0.00 0.00 -0.09 3.23 5.12 -1.25 -3.99 116.66 119.68 2wh1 n ARG 91 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 2wh1 n ARG 91 Cb 0.00 -2.63 -0.14 0.00 -1.16 0.00 0.00 32.46 28.53 2wh1 n ARG 91 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2wh1 n HIS 92 N -0.69 0.20 -0.01 -1.55 8.25 -1.23 0.10 115.22 120.29 2wh1 n HIS 92 Ca 0.00 0.06 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 2wh1 n HIS 92 Cb 0.00 -1.03 -0.09 0.00 1.12 0.00 0.00 29.99 29.98 2wh1 n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wh1 h ARG 93 N 0.01 0.03 0.00 -0.41 -0.00 -1.71 -2.70 114.38 109.59 2wh1 h ARG 93 Ca -0.52 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 58.94 2wh1 h ARG 93 Cb 2.10 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 32.07 2wh1 h ARG 93 CO 0.00 0.46 0.00 0.54 0.00 0.00 0.00 179.97 180.97 2wh1 n ARG 94 N -4.85 0.52 -1.50 0.04 3.00 -1.26 -4.89 116.66 107.71 2wh1 n ARG 94 Ca -0.08 0.02 -0.15 0.00 -0.01 0.00 0.00 57.85 57.64 2wh1 n ARG 94 Cb 0.24 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.14 2wh1 n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh1 n GLY 95 N 0.92 1.34 4.01 -0.13 0.00 -1.02 -4.97 105.19 105.33 2wh1 n GLY 95 Ca 0.15 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 2wh1 n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh1 s LEU 96 N -3.38 3.22 0.42 0.99 1.43 0.28 -4.60 118.68 117.05 2wh1 s LEU 96 Ca 0.00 -0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 2wh1 s LEU 96 Cb 0.00 -2.07 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 2wh1 s LEU 96 CO 0.00 -1.30 1.38 -2.84 0.23 0.00 0.00 176.35 173.82 2wh1 s PRO 97 N -4.71 3.87 -0.24 1.29 0.02 -1.26 -4.39 135.00 129.58 2wh1 s PRO 97 Ca 0.61 2.32 0.10 0.00 0.02 0.00 0.00 61.00 64.05 2wh1 s PRO 97 Cb -0.07 -2.74 0.44 0.00 0.02 0.00 0.00 34.50 32.14 2wh1 s PRO 97 CO 0.39 -0.64 1.26 0.28 -0.33 0.00 0.00 177.00 177.96 2wh1 n VAL 98 N 0.04 2.33 -3.09 3.83 0.31 -1.26 -4.73 118.33 115.76 2wh1 n VAL 98 Ca 0.04 -3.36 -0.16 0.00 -0.01 0.00 0.00 64.34 60.84 2wh1 n VAL 98 Cb 0.42 -0.43 -0.01 0.00 -0.91 0.00 0.00 33.84 32.91 2wh1 n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wh1 n ARG 99 N -1.04 0.99 -2.88 5.55 1.74 -1.26 -5.01 116.66 114.75 2wh1 n ARG 99 Ca 0.26 -3.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.10 2wh1 n ARG 99 Cb 0.79 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 2wh1 n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh1 n GLY 100 N 0.24 0.00 3.15 -0.13 0.00 -1.26 -5.02 105.19 102.17 2wh1 n GLY 100 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2wh1 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wh1 s GLN 101 N -0.87 0.53 -0.08 1.61 -0.21 -1.26 -5.12 119.66 114.25 2wh1 s GLN 101 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.36 54.79 2wh1 s GLN 101 Cb 0.00 0.23 -0.04 0.00 1.00 0.00 0.00 33.01 34.20 2wh1 s GLN 101 CO 0.00 -0.13 1.38 -0.98 -2.12 0.00 0.00 175.29 173.43 2wh1 s ARG 102 N -1.28 4.25 0.24 2.91 1.70 -1.26 -4.88 118.95 120.63 2wh1 s ARG 102 Ca -0.13 1.86 0.23 0.00 -0.47 0.00 0.00 55.73 57.21 2wh1 s ARG 102 Cb -0.07 -3.73 0.06 0.00 -0.57 0.00 0.00 34.95 30.65 2wh1 s ARG 102 CO 0.02 -0.66 1.13 1.79 -1.08 0.00 0.00 175.30 176.51 2wh1 h THR 103 N 5.27 0.00 -0.84 4.99 1.35 -2.00 -3.38 112.91 118.31 2wh1 h THR 103 Ca -0.33 -0.99 0.18 0.00 -0.55 0.00 0.00 66.41 64.72 2wh1 h THR 103 Cb 1.15 1.56 -0.11 0.00 -1.73 0.00 0.00 68.15 69.02 2wh1 h THR 103 CO 0.93 0.00 0.36 -0.09 -0.25 0.00 0.00 175.52 176.48 2wh1 h ARG 104 N 0.00 0.43 0.00 4.72 2.43 -2.02 -3.44 114.38 116.50 2wh1 h ARG 104 Ca 0.00 -0.03 -0.42 0.00 -0.81 0.00 0.00 59.98 58.72 2wh1 h ARG 104 Cb 0.99 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 2wh1 h ARG 104 CO 0.00 0.29 -0.32 0.25 -1.51 0.00 0.00 179.97 178.67 2wh1 n THR 105 N -5.01 0.00 0.00 0.20 -2.24 -1.26 -5.06 114.28 100.91 2wh1 n THR 105 Ca 0.19 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 2wh1 n THR 105 Cb 0.54 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2wh1 n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wh1 n ASN 106 N -1.40 0.00 -0.79 3.42 3.02 -1.26 -4.75 115.26 113.51 2wh1 n ASN 106 Ca -0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.34 2wh1 n ASN 106 Cb 0.43 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 2wh1 n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh1 n ALA 107 N 4.51 -0.16 0.26 5.41 0.00 -1.26 -4.86 120.51 124.41 2wh1 n ALA 107 Ca 0.00 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.69 2wh1 n ALA 107 Cb 0.00 -1.62 0.64 0.00 0.00 0.00 0.00 19.45 18.48 2wh1 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh1 h ARG 108 N 0.06 0.00 -0.87 0.00 -0.00 -1.87 -2.97 114.38 108.73 2wh1 h ARG 108 Ca -0.21 0.00 0.18 0.00 -0.50 0.00 0.00 59.98 59.45 2wh1 h ARG 108 Cb 1.05 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.95 2wh1 h ARG 108 CO 0.31 0.01 0.57 1.15 0.00 0.00 0.00 179.97 182.01 2wh1 h THR 109 N 0.00 0.73 -0.57 2.04 2.02 -1.95 -1.06 112.91 114.11 2wh1 h THR 109 Ca -0.00 -0.16 -0.30 0.00 0.77 0.00 0.00 66.41 66.72 2wh1 h THR 109 Cb 0.02 0.22 -0.18 0.00 -1.74 0.00 0.00 68.15 66.47 2wh1 h THR 109 CO 0.00 0.08 0.16 0.54 0.37 0.00 0.00 175.52 176.67 2wh1 n ARG 110 N -4.52 1.98 -3.76 6.66 1.74 -1.12 -4.95 116.66 112.69 2wh1 n ARG 110 Ca 0.18 -3.15 -0.13 0.00 -0.77 0.00 0.00 57.85 53.98 2wh1 n ARG 110 Cb 0.62 -1.94 -0.11 0.00 -1.02 0.00 0.00 32.46 30.01 2wh1 n ARG 110 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wh1 s LYS 111 N -3.28 0.39 0.26 5.56 1.02 -0.40 -4.47 119.74 118.81 2wh1 s LYS 111 Ca 0.49 0.43 -0.30 0.00 0.02 0.00 0.00 55.97 56.62 2wh1 s LYS 111 Cb 0.43 0.19 -0.14 0.00 -0.52 0.00 0.00 37.83 37.79 2wh1 s LYS 111 CO 0.03 -0.05 1.14 0.41 -0.92 0.00 0.00 175.35 175.96 2wh1 n GLY 112 N 2.86 0.07 0.00 -3.33 0.00 -1.26 -4.78 105.19 98.75 2wh1 n GLY 112 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2wh1 n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh1 n PRO 113 N 1.18 0.00 -3.66 1.61 -0.02 -1.26 -4.37 135.00 128.47 2wh1 n PRO 113 Ca 0.11 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 2wh1 n PRO 113 Cb 0.30 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.67 2wh1 n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wh1 s ARG 114 N 0.00 0.22 -1.29 -0.52 0.52 -1.26 -4.89 118.95 111.73 2wh1 s ARG 114 Ca 0.00 0.86 -0.10 0.00 -0.52 0.00 0.00 55.73 55.97 2wh1 s ARG 114 Cb 0.00 0.11 0.16 0.00 0.52 0.00 0.00 34.95 35.74 2wh1 s ARG 114 CO 0.00 -0.27 1.88 1.63 0.02 0.00 0.00 175.30 178.56 2wh1 n LYS 115 N 5.33 3.58 0.00 3.54 4.01 -1.26 -4.93 118.16 128.42 2wh1 n LYS 115 Ca -0.08 -3.49 0.00 0.00 -0.51 0.00 0.00 58.31 54.23 2wh1 n LYS 115 Cb 0.50 -2.95 0.00 0.00 -0.51 0.00 0.00 35.03 32.07 2wh1 n LYS 115 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wh1 n THR 116 N 3.46 0.00 -0.29 -0.18 -1.04 -1.26 -4.97 114.28 110.00 2wh1 n THR 116 Ca 0.40 0.04 0.04 0.00 -2.04 0.00 0.00 64.05 62.49 2wh1 n THR 116 Cb 0.37 -0.06 -0.02 0.00 -1.82 0.00 0.00 70.33 68.80 2wh1 n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2wh1 n VAL 117 N -0.63 -0.13 -5.22 12.58 0.31 -1.26 -4.97 118.33 119.02 2wh1 n VAL 117 Ca 0.00 0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 64.19 2wh1 n VAL 117 Cb 0.00 -0.26 -0.16 0.00 -0.91 0.00 0.00 33.84 32.51 2wh1 n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh1 s ALA 118 N -2.92 2.08 0.10 3.52 0.00 -1.26 -5.13 121.76 118.15 2wh1 s ALA 118 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.96 2wh1 s ALA 118 Cb 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2wh1 s ALA 118 CO 0.00 0.42 0.06 0.41 0.00 0.00 0.00 175.76 176.65 2wh1 n GLY 119 N 2.88 3.80 3.07 0.00 0.00 -1.26 -5.15 105.19 108.52 2wh1 n GLY 119 Ca -0.17 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 2wh1 n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wh1 n LYS 120 N -0.22 -1.40 -2.16 1.61 5.02 -1.26 -5.05 118.16 114.70 2wh1 n LYS 120 Ca 0.00 -0.41 -0.02 0.00 -2.02 0.00 0.00 58.31 55.87 2wh1 n LYS 120 Cb 0.17 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2wh1 n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wh1 n LYS 121 N -0.65 1.44 0.00 1.97 5.02 -1.26 -5.31 118.16 119.37 2wh1 n LYS 121 Ca 0.02 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 2wh1 n LYS 121 Cb 0.49 0.09 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 2wh1 n LYS 121 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05