#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h96 h ASP 6 N 0.00 -0.29 -0.34 -1.84 -0.00 -2.06 -2.99 116.42 108.91 3h96 h ASP 6 Ca 0.00 0.09 0.06 0.00 -0.00 0.00 0.00 57.03 57.18 3h96 h ASP 6 Cb 0.00 0.19 -0.05 0.00 -0.00 0.00 0.00 39.33 39.46 3h96 h ASP 6 CO 0.00 -0.10 -0.00 -0.25 -0.00 0.00 0.00 179.24 178.88 3h96 h TRP 7 N -0.01 -0.02 -0.06 0.28 7.01 -2.05 -1.96 115.95 119.13 3h96 h TRP 7 Ca 0.14 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.19 3h96 h TRP 7 Cb 0.22 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 3h96 h TRP 7 CO -0.28 -0.06 -0.11 -0.97 -2.79 0.00 0.00 178.44 174.23 3h96 h ASN 8 N 0.09 -0.33 -0.85 2.65 -1.24 -1.98 -0.71 115.58 113.20 3h96 h ASN 8 Ca 0.16 0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.26 3h96 h ASN 8 Cb 0.22 0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.38 3h96 h ASN 8 CO -0.27 -0.15 0.56 0.77 -1.29 0.00 0.00 177.43 177.04 3h96 h SER 9 N -0.16 0.93 -0.60 1.15 4.64 -1.46 -0.57 113.55 117.48 3h96 h SER 9 Ca 0.06 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3h96 h SER 9 Cb 0.24 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3h96 h SER 9 CO -0.15 0.64 0.25 1.56 -0.87 0.00 0.00 176.83 178.26 3h96 h GLN 10 N 1.08 0.90 -0.27 4.77 4.20 -0.88 -0.64 115.11 124.25 3h96 h GLN 10 Ca 0.33 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3h96 h GLN 10 Cb -0.00 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3h96 h GLN 10 CO -0.09 0.76 0.08 0.28 -0.67 0.00 0.00 178.83 179.18 3h96 h VAL 11 N 0.83 1.20 -0.08 -0.54 2.07 -0.87 -1.32 116.25 117.54 3h96 h VAL 11 Ca 0.20 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3h96 h VAL 11 Cb 0.19 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3h96 h VAL 11 CO -0.02 0.21 -0.11 0.40 0.02 0.00 0.00 177.57 178.08 3h96 h ILE 12 N 0.28 0.70 -0.63 4.57 2.04 -0.96 0.91 117.51 124.41 3h96 h ILE 12 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 3h96 h ILE 12 Cb 0.25 0.70 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 3h96 h ILE 12 CO -0.00 0.00 0.20 -0.61 0.00 0.00 0.00 178.15 177.74 3h96 h GLN 13 N -0.15 0.34 -0.35 2.37 4.15 -1.06 -1.86 115.11 118.55 3h96 h GLN 13 Ca 0.07 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 3h96 h GLN 13 Cb 0.24 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3h96 h GLN 13 CO -0.17 0.23 0.02 1.49 -1.93 0.00 0.00 178.83 178.46 3h96 h GLU 14 N 0.35 0.61 -0.55 1.69 4.81 -0.59 -0.52 114.58 120.39 3h96 h GLU 14 Ca 0.33 -0.19 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 3h96 h GLU 14 Cb 0.46 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 3h96 h GLU 14 CO -0.36 0.72 -0.21 0.35 -0.73 0.00 0.00 179.01 178.77 3h96 h PHE 15 N 0.43 -0.52 0.00 0.92 3.57 -0.57 -1.27 116.94 119.49 3h96 h PHE 15 Ca 0.10 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3h96 h PHE 15 Cb 0.43 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.48 3h96 h PHE 15 CO 0.03 -0.30 0.00 0.00 -2.23 0.00 0.00 178.31 175.81 3h96 h ARG 16 N -0.08 0.00 -0.00 1.11 3.08 -0.96 0.34 114.38 117.87 3h96 h ARG 16 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3h96 h ARG 16 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3h96 h ARG 16 CO -0.61 0.00 -0.50 0.00 -1.07 0.00 0.00 179.97 177.79 3h96 n ALA 17 N -1.87 3.57 -2.13 0.04 0.00 -0.24 -4.42 120.51 115.46 3h96 n ALA 17 Ca 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.12 3h96 n ALA 17 Cb 0.36 -1.10 0.10 0.00 0.00 0.00 0.00 19.45 18.81 3h96 n ALA 17 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h96 n ASN 18 N -1.40 1.79 -3.83 0.00 3.02 -0.89 -4.98 115.26 108.97 3h96 n ASN 18 Ca 0.06 -2.95 -0.29 0.00 -0.03 0.00 0.00 54.58 51.38 3h96 n ASN 18 Cb 0.34 -0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3h96 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h96 n GLY 19 N -0.39 -0.51 1.30 7.41 0.00 -1.20 -3.33 105.19 108.47 3h96 n GLY 19 Ca 0.16 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3h96 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h96 n GLY 20 N -1.79 0.94 3.12 -0.02 0.00 0.12 -4.38 105.19 103.18 3h96 n GLY 20 Ca 0.04 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3h96 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h96 s ARG 21 N -2.95 0.71 0.01 1.61 0.52 -1.21 -4.58 118.95 113.05 3h96 s ARG 21 Ca 0.00 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 3h96 s ARG 21 Cb 0.00 -0.62 -0.01 0.00 0.52 0.00 0.00 34.95 34.84 3h96 s ARG 21 CO 0.00 0.14 -0.03 0.08 0.02 0.00 0.00 175.30 175.51 3h96 s VAL 22 N -1.21 0.18 0.00 3.52 1.01 -1.26 -3.65 120.40 118.98 3h96 s VAL 22 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3h96 s VAL 22 Cb -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.07 3h96 s VAL 22 CO 0.01 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.57 3h96 n GLY 23 N 2.47 1.37 7.00 4.51 0.00 -1.26 -2.43 105.19 116.85 3h96 n GLY 23 Ca -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3h96 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h96 n GLY 24 N 5.00 2.93 0.24 -0.02 0.00 -1.26 -1.91 105.19 110.17 3h96 n GLY 24 Ca 0.00 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.97 3h96 n GLY 24 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h96 h ASN 25 N 3.96 0.00 0.00 1.61 2.35 -2.07 -0.37 115.58 121.06 3h96 h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h96 h ASN 25 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3h96 h ASN 25 CO 0.00 0.00 -0.33 0.49 -1.65 0.00 0.00 177.43 175.94 3h96 n PHE 26 N -2.67 0.00 -1.66 1.19 3.72 -0.80 -4.97 117.46 112.27 3h96 n PHE 26 Ca -0.01 0.00 -0.57 0.00 -0.05 0.00 0.00 57.45 56.82 3h96 n PHE 26 Cb 0.10 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 3h96 n PHE 26 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3h96 n GLU 27 N 0.26 1.00 -0.31 -1.08 0.00 -0.15 -1.23 120.64 119.13 3h96 n GLU 27 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 57.16 57.63 3h96 n GLU 27 Cb 0.49 -2.01 0.00 0.00 0.00 0.00 0.00 31.44 29.92 3h96 n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3h96 n GLY 28 N 3.46 2.29 3.88 8.31 0.00 -1.26 -5.02 105.19 116.86 3h96 n GLY 28 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3h96 n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h96 s ALA 29 N -3.23 3.44 1.04 4.61 0.00 -0.36 -5.13 121.76 122.13 3h96 s ALA 29 Ca 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.51 3h96 s ALA 29 Cb 0.00 -2.57 0.21 0.00 0.00 0.00 0.00 23.12 20.76 3h96 s ALA 29 CO 0.00 0.12 1.14 -2.14 0.00 0.00 0.00 175.76 174.88 3h96 s PRO 30 N -3.64 0.08 -0.29 0.00 0.02 -1.26 -4.80 135.00 125.10 3h96 s PRO 30 Ca 0.49 0.15 -0.24 0.00 0.02 0.00 0.00 61.00 61.42 3h96 s PRO 30 Cb -0.10 -1.73 0.17 0.00 0.02 0.00 0.00 34.50 32.86 3h96 s PRO 30 CO 0.29 -2.89 1.31 0.54 -0.33 0.00 0.00 177.00 175.93 3h96 s VAL 32 N -3.17 0.00 -0.33 3.83 0.11 -1.26 -1.34 120.40 118.24 3h96 s VAL 32 Ca 0.68 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.59 3h96 s VAL 32 Cb -0.13 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 3h96 s VAL 32 CO 0.55 0.00 0.30 -0.76 -3.33 0.00 0.00 175.10 171.87 3h96 s LEU 33 N 0.18 4.38 -0.23 2.54 1.43 -0.76 -4.22 118.68 122.00 3h96 s LEU 33 Ca 0.05 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 3h96 s LEU 33 Cb -0.05 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 3h96 s LEU 33 CO -0.13 -0.26 0.14 -0.69 0.23 0.00 0.00 176.35 175.64 3h96 s VAL 34 N 1.89 5.19 -0.25 -1.59 1.01 -0.47 -1.10 120.40 125.08 3h96 s VAL 34 Ca 0.10 0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3h96 s VAL 34 Cb -0.17 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3h96 s VAL 34 CO 0.11 0.36 0.25 -1.00 0.00 0.00 0.00 175.10 174.82 3h96 s HIS 35 N 0.99 3.29 0.21 5.22 3.76 -0.17 -1.19 115.29 127.40 3h96 s HIS 35 Ca 0.07 0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 55.28 3h96 s HIS 35 Cb -0.13 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 3h96 s HIS 35 CO 0.04 -0.05 0.12 -3.38 -0.85 0.00 0.00 174.74 170.62 3h96 s HIS 36 N 1.44 1.25 -0.02 1.40 -3.43 -0.45 -3.36 115.29 112.11 3h96 s HIS 36 Ca 0.11 -1.34 0.03 0.00 -0.80 0.00 0.00 55.06 53.06 3h96 s HIS 36 Cb -0.15 -0.64 -0.00 0.00 -1.43 0.00 0.00 32.58 30.36 3h96 s HIS 36 CO 0.08 -0.57 -0.11 0.08 -2.00 0.00 0.00 174.74 172.21 3h96 s VAL 37 N -4.07 0.91 -0.29 -5.38 1.01 -1.26 -0.10 120.40 111.22 3h96 s VAL 37 Ca 0.39 -0.46 -0.35 0.00 0.00 0.00 0.00 61.98 61.56 3h96 s VAL 37 Cb 0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 36.38 35.55 3h96 s VAL 37 CO 0.12 0.27 2.10 0.61 0.00 0.00 0.00 175.10 178.20 3h96 n GLY 38 N 3.06 0.72 0.25 4.51 0.00 0.04 -4.67 105.19 109.10 3h96 n GLY 38 Ca -0.16 0.91 0.16 0.00 0.00 0.00 0.00 46.02 46.93 3h96 n GLY 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h96 h ARG 39 N 11.59 0.00 0.00 1.61 0.11 -1.89 0.29 114.38 126.10 3h96 h ARG 39 Ca -0.34 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.56 3h96 h ARG 39 Cb 1.31 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.35 3h96 h ARG 39 CO 1.00 0.00 -1.69 1.63 0.10 0.00 0.00 179.97 181.01 3h96 n LYS 40 N -2.65 0.31 0.08 0.08 5.02 -1.26 -4.75 118.16 114.98 3h96 n LYS 40 Ca -0.02 0.07 0.01 0.00 -2.02 0.00 0.00 58.31 56.34 3h96 n LYS 40 Cb 0.08 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3h96 n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3h96 h THR 41 N 0.00 0.73 0.00 -0.18 1.35 -1.94 -3.47 112.91 109.40 3h96 h THR 41 Ca -0.27 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 3h96 h THR 41 Cb 1.42 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 70.09 3h96 h THR 41 CO -0.04 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 3h96 n GLY 42 N 1.32 0.57 3.71 5.82 0.00 0.10 -4.94 105.19 111.76 3h96 n GLY 42 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3h96 n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h96 s LYS 43 N -0.16 4.29 0.40 1.61 2.20 -1.26 -4.62 119.74 122.20 3h96 s LYS 43 Ca 0.00 0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 55.74 3h96 s LYS 43 Cb 0.00 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.76 3h96 s LYS 43 CO 0.00 0.09 1.35 0.00 -0.36 0.00 0.00 175.35 176.43 3h96 s ALA 44 N 0.86 3.32 0.21 3.13 0.00 -1.26 -0.78 121.76 127.24 3h96 s ALA 44 Ca 0.24 1.32 -0.06 0.00 0.00 0.00 0.00 51.96 53.47 3h96 s ALA 44 Cb -0.15 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3h96 s ALA 44 CO 0.09 -0.91 0.26 0.00 0.00 0.00 0.00 175.76 175.21 3h96 s ALA 45 N -1.22 0.53 -0.06 0.00 0.00 0.86 -4.92 121.76 116.95 3h96 s ALA 45 Ca 0.56 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 3h96 s ALA 45 Cb -0.40 1.18 0.03 0.00 0.00 0.00 0.00 23.12 23.92 3h96 s ALA 45 CO 0.53 -0.68 0.02 0.08 0.00 0.00 0.00 175.76 175.71 3h96 s VAL 46 N -4.08 0.21 -0.16 0.00 1.01 -1.26 -1.34 120.40 114.79 3h96 s VAL 46 Ca 0.30 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.51 3h96 s VAL 46 Cb 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.04 3h96 s VAL 46 CO 0.09 0.23 -0.17 -0.89 0.00 0.00 0.00 175.10 174.36 3h96 s THR 47 N 2.02 1.78 0.32 3.92 2.01 -0.34 -4.92 115.64 120.43 3h96 s THR 47 Ca 0.05 -0.76 -0.27 0.00 0.31 0.00 0.00 61.69 61.01 3h96 s THR 47 Cb -0.12 -1.64 -0.09 0.00 0.01 0.00 0.00 72.50 70.66 3h96 s THR 47 CO -0.04 0.49 0.99 -2.16 -0.69 0.00 0.00 174.62 173.21 3h96 s PRO 48 N 1.39 4.56 -0.12 4.92 0.04 -1.26 -1.36 135.00 143.16 3h96 s PRO 48 Ca 0.05 1.48 -0.33 0.00 0.04 0.00 0.00 61.00 62.24 3h96 s PRO 48 Cb -0.13 -2.90 0.13 0.00 0.04 0.00 0.00 34.50 31.64 3h96 s PRO 48 CO -0.11 0.22 1.27 1.52 0.04 0.00 0.00 177.00 179.94 3h96 s TYR 51 N -1.46 -0.08 -0.17 0.56 -0.85 -0.45 -4.98 117.35 109.92 3h96 s TYR 51 Ca 0.49 0.01 0.00 0.00 -0.52 0.00 0.00 57.07 57.05 3h96 s TYR 51 Cb -0.23 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.64 3h96 s TYR 51 CO 0.29 -0.21 -0.15 -1.17 -1.52 0.00 0.00 175.55 172.79 3h96 s LEU 52 N -2.56 2.44 0.49 -3.49 2.96 -0.45 -4.50 118.68 113.59 3h96 s LEU 52 Ca 0.12 -0.50 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 3h96 s LEU 52 Cb 0.02 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 45.08 3h96 s LEU 52 CO -0.04 0.06 1.23 -2.16 -1.32 0.00 0.00 176.35 174.12 3h96 s PRO 53 N 0.97 3.54 0.20 0.98 0.04 -1.26 -0.65 135.00 138.82 3h96 s PRO 53 Ca -0.02 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 3h96 s PRO 53 Cb -0.15 -2.35 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 3h96 s PRO 53 CO -0.03 -0.77 1.50 0.45 0.04 0.00 0.00 177.00 178.19 3h96 s SER 54 N -1.22 6.62 0.19 6.66 0.15 -0.90 -4.85 113.70 120.35 3h96 s SER 54 Ca 0.66 2.64 0.26 0.00 0.70 0.00 0.00 55.95 60.21 3h96 s SER 54 Cb -0.33 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.25 3h96 s SER 54 CO 0.39 -0.77 1.78 0.47 1.20 0.00 0.00 173.24 176.31 3h96 n ASP 55 N 3.18 0.71 -0.09 5.45 10.43 -1.26 -4.19 116.55 130.77 3h96 n ASP 55 Ca 0.10 0.58 -0.11 0.00 2.57 0.00 0.00 54.79 57.94 3h96 n ASP 55 Cb 0.39 -0.76 -0.12 0.00 1.84 0.00 0.00 41.12 42.47 3h96 n ASP 55 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3h96 n ASP 56 N -2.18 1.37 -3.68 -2.24 9.92 -1.26 -4.97 116.55 113.51 3h96 n ASP 56 Ca 0.05 -0.04 -0.26 0.00 -0.53 0.00 0.00 54.79 54.01 3h96 n ASP 56 Cb 0.39 0.46 -0.17 0.00 -0.64 0.00 0.00 41.12 41.16 3h96 n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3h96 s ASP 57 N -5.45 2.42 0.39 -2.24 -1.08 -1.26 -5.12 116.67 104.32 3h96 s ASP 57 Ca -0.16 -0.60 -0.27 0.00 -0.52 0.00 0.00 52.55 51.00 3h96 s ASP 57 Cb 0.06 -0.40 -0.11 0.00 -1.46 0.00 0.00 42.92 41.01 3h96 s ASP 57 CO 0.62 -0.31 1.31 -2.65 0.52 0.00 0.00 175.17 174.66 3h96 n PRO 58 N 5.17 2.10 0.00 4.34 -0.02 -1.26 -1.85 135.00 143.49 3h96 n PRO 58 Ca -0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3h96 n PRO 58 Cb 0.48 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3h96 n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h96 n GLY 59 N 0.75 1.82 3.63 -1.23 0.00 -1.26 -4.95 105.19 103.95 3h96 n GLY 59 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3h96 n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h96 s THR 60 N -2.51 4.40 0.20 2.61 2.01 -0.77 -0.80 115.64 120.79 3h96 s THR 60 Ca 0.00 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.89 3h96 s THR 60 Cb 0.00 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 3h96 s THR 60 CO 0.00 0.53 -0.15 0.27 -0.69 0.00 0.00 174.62 174.58 3h96 s ILE 61 N -0.17 1.81 -0.07 1.82 -4.36 -0.68 -2.11 121.20 117.44 3h96 s ILE 61 Ca 0.05 -2.17 0.03 0.00 -0.26 0.00 0.00 60.65 58.30 3h96 s ILE 61 Cb -0.12 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.54 3h96 s ILE 61 CO 0.02 -0.53 -0.14 -0.31 0.24 0.00 0.00 174.94 174.22 3h96 s TYR 62 N -2.77 2.73 0.29 1.37 2.02 0.18 -0.35 117.35 120.82 3h96 s TYR 62 Ca 0.22 -0.24 0.11 0.00 -0.37 0.00 0.00 57.07 56.79 3h96 s TYR 62 Cb -0.02 -1.67 -0.05 0.00 -0.40 0.00 0.00 41.96 39.81 3h96 s TYR 62 CO 0.07 0.12 -0.17 0.14 -1.57 0.00 0.00 175.55 174.14 3h96 s VAL 63 N -0.53 2.36 -0.14 0.71 -7.23 -0.01 -1.34 120.40 114.22 3h96 s VAL 63 Ca 0.07 -2.35 0.00 0.00 -1.81 0.00 0.00 61.98 57.90 3h96 s VAL 63 Cb -0.12 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.48 3h96 s VAL 63 CO 0.01 -0.37 -0.12 -0.36 -0.31 0.00 0.00 175.10 173.96 3h96 s PHE 64 N -2.57 2.00 -1.47 2.82 0.08 -1.26 -1.34 117.98 116.23 3h96 s PHE 64 Ca 0.30 -1.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.15 3h96 s PHE 64 Cb -0.03 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 3h96 s PHE 64 CO 0.15 -0.63 2.67 0.00 -0.10 0.00 0.00 175.22 177.30 3h96 n ALA 65 N 4.81 7.17 0.13 5.36 0.00 0.46 -4.64 120.51 133.81 3h96 n ALA 65 Ca -0.16 -3.81 -0.22 0.00 0.00 0.00 0.00 53.44 49.25 3h96 n ALA 65 Cb 0.50 -3.08 -0.15 0.00 0.00 0.00 0.00 19.45 16.72 3h96 n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h96 h SER 66 N 4.81 0.71 -6.66 0.00 4.64 -1.95 -3.39 113.55 111.72 3h96 h SER 66 Ca 0.79 -0.76 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 3h96 h SER 66 Cb 0.30 -0.23 -0.16 0.00 -0.31 0.00 0.00 62.40 61.99 3h96 h SER 66 CO 1.63 1.59 -0.84 1.17 -0.87 0.00 0.00 176.83 179.52 3h96 n LYS 67 N -3.66 -3.39 -2.38 4.77 4.81 -1.26 -0.56 118.16 116.48 3h96 n LYS 67 Ca -0.14 0.40 -0.17 0.00 -0.87 0.00 0.00 58.31 57.52 3h96 n LYS 67 Cb 1.08 -5.02 -0.01 0.00 0.02 0.00 0.00 35.03 31.10 3h96 n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3h96 n ALA 68 N -4.42 -0.67 -1.27 3.14 0.00 -1.26 -1.05 120.51 114.98 3h96 n ALA 68 Ca -0.00 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 3h96 n ALA 68 Cb 0.53 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3h96 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h96 n GLY 69 N -0.90 0.67 3.70 0.00 0.00 0.27 -4.92 105.19 104.01 3h96 n GLY 69 Ca -0.21 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 3h96 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h96 s ALA 70 N -2.18 1.68 0.51 4.61 0.00 -0.22 -4.38 121.76 121.78 3h96 s ALA 70 Ca 0.00 0.45 0.18 0.00 0.00 0.00 0.00 51.96 52.59 3h96 s ALA 70 Cb 0.00 -3.38 1.27 0.00 0.00 0.00 0.00 23.12 21.01 3h96 s ALA 70 CO 0.00 -2.46 2.12 0.00 0.00 0.00 0.00 175.76 175.42 3h96 h ALA 71 N -1.64 1.84 -3.11 0.00 0.00 -1.92 -3.44 119.26 110.99 3h96 h ALA 71 Ca -0.44 -0.05 -0.63 0.00 0.00 0.00 0.00 54.91 53.80 3h96 h ALA 71 Cb 1.26 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 3h96 h ALA 71 CO 0.45 0.06 -0.65 -1.54 0.00 0.00 0.00 179.25 177.57 3h96 s SER 72 N -6.92 4.96 0.60 0.00 1.04 -1.26 -4.73 113.70 107.40 3h96 s SER 72 Ca -0.05 -0.26 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 3h96 s SER 72 Cb 0.16 -1.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.11 3h96 s SER 72 CO 0.66 0.13 1.26 0.20 0.98 0.00 0.00 173.24 176.47 3h96 s ASN 73 N -2.63 5.00 0.59 7.02 0.01 -1.26 -4.86 114.94 118.81 3h96 s ASN 73 Ca 0.27 2.52 -0.16 0.00 -0.71 0.00 0.00 52.86 54.78 3h96 s ASN 73 Cb -0.11 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.91 3h96 s ASN 73 CO 0.19 -1.73 1.06 -2.16 -1.51 0.00 0.00 177.10 172.94 3h96 s PRO 74 N -3.28 3.32 0.25 -0.60 0.04 -1.26 -4.95 135.00 128.52 3h96 s PRO 74 Ca 0.78 1.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 3h96 s PRO 74 Cb -0.34 -2.03 0.45 0.00 0.04 0.00 0.00 34.50 32.61 3h96 s PRO 74 CO 0.37 -0.81 1.80 0.00 0.04 0.00 0.00 177.00 178.40 3h96 h ALA 75 N 0.45 1.23 -0.33 8.56 0.00 -2.01 -2.24 119.26 124.92 3h96 h ALA 75 Ca -0.47 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.53 3h96 h ALA 75 Cb 1.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3h96 h ALA 75 CO 0.57 0.05 0.23 0.11 0.00 0.00 0.00 179.25 180.21 3h96 h TRP 76 N 0.76 0.26 -0.34 0.00 5.08 -1.98 -1.75 115.95 117.97 3h96 h TRP 76 Ca 0.42 0.01 0.05 0.00 1.08 0.00 0.00 58.89 60.45 3h96 h TRP 76 Cb 0.45 -0.09 -0.05 0.00 -3.00 0.00 0.00 29.16 26.48 3h96 h TRP 76 CO -0.06 0.15 0.05 -0.92 -1.28 0.00 0.00 178.44 176.37 3h96 h TYR 77 N 0.26 0.07 -0.02 0.12 3.20 -1.79 0.34 116.97 119.16 3h96 h TYR 77 Ca 0.14 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.83 3h96 h TYR 77 Cb 0.24 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3h96 h TYR 77 CO -0.00 -0.01 -0.87 1.88 -1.64 0.00 0.00 178.16 177.52 3h96 h TYR 78 N 0.16 0.50 -0.62 -3.82 0.05 -1.44 -1.66 116.97 110.13 3h96 h TYR 78 Ca 0.16 -0.26 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 3h96 h TYR 78 Cb 0.20 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 3h96 h TYR 78 CO -0.20 1.06 0.24 -0.91 -1.05 0.00 0.00 178.16 177.30 3h96 h ASN 79 N 0.20 0.87 -0.18 3.88 2.35 -1.07 -1.44 115.58 120.19 3h96 h ASN 79 Ca -0.06 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.47 3h96 h ASN 79 Cb 1.49 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 3h96 h ASN 79 CO 0.14 0.81 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.58 3h96 h LEU 80 N 0.87 0.38 -0.91 1.61 3.38 -0.72 -2.09 115.31 117.83 3h96 h LEU 80 Ca 0.21 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3h96 h LEU 80 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3h96 h LEU 80 CO -0.02 0.70 -0.47 0.71 0.09 0.00 0.00 178.44 179.46 3h96 h THR 81 N 0.06 1.14 -0.07 0.22 1.35 -1.28 0.23 112.91 114.56 3h96 h THR 81 Ca 0.04 -1.73 -0.04 0.00 -0.55 0.00 0.00 66.41 64.13 3h96 h THR 81 Cb 0.55 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3h96 h THR 81 CO 0.02 0.46 -0.12 0.74 -0.25 0.00 0.00 175.52 176.38 3h96 h THR 82 N 0.00 1.40 -0.11 6.82 2.02 -1.27 -3.30 112.91 118.47 3h96 h THR 82 Ca -0.00 -1.38 -0.21 0.00 0.77 0.00 0.00 66.41 65.58 3h96 h THR 82 Cb 0.95 2.15 0.01 0.00 -1.74 0.00 0.00 68.15 69.51 3h96 h THR 82 CO 0.06 0.38 -0.78 0.00 0.37 0.00 0.00 175.52 175.55 3h96 h ALA 83 N 0.51 0.40 0.00 6.16 0.00 -1.13 -3.47 119.26 121.73 3h96 h ALA 83 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3h96 h ALA 83 Cb 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3h96 h ALA 83 CO 0.03 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3h96 n GLY 84 N 0.68 3.00 3.21 0.00 0.00 0.05 -4.96 105.19 107.16 3h96 n GLY 84 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3h96 n GLY 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h96 s THR 85 N -1.85 0.13 0.00 2.61 -4.23 -1.26 -0.44 115.64 110.60 3h96 s THR 85 Ca 0.00 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3h96 s THR 85 Cb 0.00 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.22 3h96 s THR 85 CO 0.00 -0.60 0.00 0.00 -0.54 0.00 0.00 174.62 173.48 3h96 n ALA 86 N -0.07 0.00 -2.73 3.99 0.00 -0.47 -4.91 120.51 116.31 3h96 n ALA 86 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 3h96 n ALA 86 Cb 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.95 3h96 n ALA 86 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3h96 s GLN 87 N -1.72 0.72 0.04 0.00 0.74 -1.21 -0.82 119.66 117.41 3h96 s GLN 87 Ca 0.00 -0.70 0.01 0.00 0.05 0.00 0.00 55.36 54.73 3h96 s GLN 87 Cb 0.00 -0.66 -0.03 0.00 1.10 0.00 0.00 33.01 33.43 3h96 s GLN 87 CO 0.00 0.15 -0.06 0.14 -0.55 0.00 0.00 175.29 174.97 3h96 s VAL 88 N -0.95 0.42 -0.21 1.34 -7.23 0.68 -0.99 120.40 113.45 3h96 s VAL 88 Ca -0.02 -1.17 -0.07 0.00 -1.81 0.00 0.00 61.98 58.90 3h96 s VAL 88 Cb -0.08 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 3h96 s VAL 88 CO 0.01 -0.50 0.07 -1.61 -0.31 0.00 0.00 175.10 172.75 3h96 s GLU 89 N -1.93 3.82 -0.03 4.82 2.02 -0.26 -0.97 118.70 126.17 3h96 s GLU 89 Ca -0.08 -0.41 0.01 0.00 0.02 0.00 0.00 54.97 54.51 3h96 s GLU 89 Cb -0.07 -3.26 0.02 0.00 0.10 0.00 0.00 34.13 30.92 3h96 s GLU 89 CO -0.01 0.06 -0.02 0.08 0.02 0.00 0.00 175.26 175.39 3h96 s VAL 90 N 0.94 0.30 0.00 2.63 1.01 -0.45 -1.84 120.40 123.00 3h96 s VAL 90 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3h96 s VAL 90 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.89 3h96 s VAL 90 CO 0.03 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3h96 n GLY 91 N 3.87 3.62 1.20 4.51 0.00 -1.26 -1.30 105.19 115.83 3h96 n GLY 91 Ca -0.24 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.89 3h96 n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h96 n THR 92 N 0.00 0.72 -4.06 2.61 -2.24 -1.26 -3.69 114.28 106.36 3h96 n THR 92 Ca 0.00 -0.83 -0.28 0.00 -2.27 0.00 0.00 64.05 60.68 3h96 n THR 92 Cb 0.00 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3h96 n THR 92 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h96 s GLU 93 N -1.28 2.93 -0.06 -0.78 2.02 -0.42 -5.11 118.70 115.99 3h96 s GLU 93 Ca 0.43 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.64 3h96 s GLU 93 Cb 0.23 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.79 3h96 s GLU 93 CO 0.31 0.51 -0.11 0.99 0.02 0.00 0.00 175.26 176.99 3h96 s THR 94 N -1.64 1.03 0.14 3.63 2.01 -1.26 -1.34 115.64 118.21 3h96 s THR 94 Ca 0.31 -0.41 -0.13 0.00 0.31 0.00 0.00 61.69 61.76 3h96 s THR 94 Cb -0.11 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.46 3h96 s THR 94 CO 0.23 0.33 0.35 -0.72 -0.69 0.00 0.00 174.62 174.13 3h96 s TYR 95 N 0.76 0.02 0.41 4.92 1.13 -0.15 -4.97 117.35 119.47 3h96 s TYR 95 Ca -0.13 -0.38 -0.23 0.00 -1.41 0.00 0.00 57.07 54.92 3h96 s TYR 95 Cb -0.15 0.14 -0.09 0.00 -1.10 0.00 0.00 41.96 40.76 3h96 s TYR 95 CO 0.03 -0.71 1.03 0.00 -2.51 0.00 0.00 175.55 173.38 3h96 s ALA 96 N -3.87 3.05 0.03 9.51 0.00 -1.26 -0.23 121.76 129.00 3h96 s ALA 96 Ca 0.08 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3h96 s ALA 96 Cb 0.02 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3h96 s ALA 96 CO -0.07 -0.17 -0.11 0.14 0.00 0.00 0.00 175.76 175.55 3h96 s VAL 97 N -1.76 0.82 0.17 0.00 -7.23 -0.00 -1.13 120.40 111.26 3h96 s VAL 97 Ca 0.59 -0.84 -0.14 0.00 -1.81 0.00 0.00 61.98 59.79 3h96 s VAL 97 Cb -0.19 -0.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.91 3h96 s VAL 97 CO 0.24 -0.06 0.56 -0.83 -0.31 0.00 0.00 175.10 174.71 3h96 s GLY 98 N -1.00 2.43 -0.15 2.32 0.00 0.54 -1.37 107.32 110.08 3h96 s GLY 98 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 44.72 44.54 3h96 s GLY 98 CO 0.01 0.12 -0.04 0.14 0.00 0.00 0.00 173.10 173.33 3h96 s VAL 99 N -1.55 3.87 0.04 1.40 1.01 0.42 -0.93 120.40 124.67 3h96 s VAL 99 Ca 0.40 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.06 3h96 s VAL 99 Cb -0.14 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3h96 s VAL 99 CO 0.19 0.50 -0.13 0.42 0.00 0.00 0.00 175.10 176.09 3h96 s THR 100 N 0.26 0.99 -0.06 3.92 -4.23 -0.76 -4.84 115.64 110.93 3h96 s THR 100 Ca -0.03 -1.03 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 3h96 s THR 100 Cb -0.14 -0.93 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 3h96 s THR 100 CO 0.03 -0.09 0.59 -0.70 -0.54 0.00 0.00 174.62 173.91 3h96 s GLU 101 N -1.26 4.36 -0.08 3.99 2.12 -1.26 -0.33 118.70 126.24 3h96 s GLU 101 Ca -0.01 0.68 -0.11 0.00 0.36 0.00 0.00 54.97 55.90 3h96 s GLU 101 Cb -0.08 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 3h96 s GLU 101 CO 0.01 0.20 0.26 0.08 -0.54 0.00 0.00 175.26 175.27 3h96 s VAL 102 N 0.41 5.30 0.28 3.70 1.01 -0.09 -4.91 120.40 126.12 3h96 s VAL 102 Ca 0.31 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.80 3h96 s VAL 102 Cb -0.17 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3h96 s VAL 102 CO 0.15 0.59 0.07 0.42 0.00 0.00 0.00 175.10 176.33 3h96 s THR 103 N -0.93 0.88 0.00 3.92 -4.23 -1.26 -4.44 115.64 109.58 3h96 s THR 103 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3h96 s THR 103 Cb -0.14 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3h96 s THR 103 CO 0.08 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.74 3h96 n GLY 104 N -0.56 1.63 0.19 3.99 0.00 -1.26 -2.80 105.19 106.38 3h96 n GLY 104 Ca -0.01 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 3h96 n GLY 104 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h96 h GLU 105 N 0.00 0.52 -0.72 1.61 4.39 -1.99 -1.97 114.58 116.42 3h96 h GLU 105 Ca 0.00 -0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.79 3h96 h GLU 105 Cb 0.00 -0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.45 3h96 h GLU 105 CO 0.00 0.34 0.30 -0.44 -1.16 0.00 0.00 179.01 178.05 3h96 h ASP 106 N 0.54 0.31 0.06 1.42 3.45 -1.97 0.55 116.42 120.78 3h96 h ASP 106 Ca 0.17 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.72 3h96 h ASP 106 Cb -0.00 0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 3h96 h ASP 106 CO -0.07 0.15 -0.03 -0.09 -1.57 0.00 0.00 179.24 177.62 3h96 h ARG 107 N 0.47 -0.08 -0.76 3.56 1.12 -1.29 -1.33 114.38 116.07 3h96 h ARG 107 Ca 0.38 0.01 0.04 0.00 -1.11 0.00 0.00 59.98 59.30 3h96 h ARG 107 Cb 0.52 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.46 3h96 h ARG 107 CO -0.36 -0.06 0.50 -0.44 -3.11 0.00 0.00 179.97 176.51 3h96 h ASP 108 N -0.09 0.77 0.00 -3.80 3.32 -0.82 0.30 116.42 116.11 3h96 h ASP 108 Ca -0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3h96 h ASP 108 Cb 0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3h96 h ASP 108 CO 0.01 0.52 -0.00 -0.09 -1.72 0.00 0.00 179.24 177.96 3h96 h ARG 109 N 0.89 -0.01 -0.51 3.56 2.43 -0.74 0.16 114.38 120.17 3h96 h ARG 109 Ca 0.31 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 3h96 h ARG 109 Cb 0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3h96 h ARG 109 CO -0.09 0.37 0.26 0.82 -1.51 0.00 0.00 179.97 179.81 3h96 h ILE 110 N -0.38 1.19 -0.30 1.20 2.04 -1.06 -1.33 117.51 118.87 3h96 h ILE 110 Ca -0.00 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3h96 h ILE 110 Cb 0.37 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3h96 h ILE 110 CO 0.00 0.21 0.16 0.22 0.00 0.00 0.00 178.15 178.74 3h96 h TYR 111 N 0.68 0.42 -0.96 1.37 5.03 -0.35 -2.25 116.97 120.90 3h96 h TYR 111 Ca 0.18 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.59 3h96 h TYR 111 Cb 0.10 -0.13 -0.08 0.00 1.55 0.00 0.00 36.73 38.17 3h96 h TYR 111 CO -0.01 0.35 0.61 0.77 -1.32 0.00 0.00 178.16 178.56 3h96 h SER 112 N 0.37 0.88 -0.54 -2.11 0.02 -0.47 -0.76 113.55 110.94 3h96 h SER 112 Ca 0.11 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3h96 h SER 112 Cb 0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3h96 h SER 112 CO -0.02 0.49 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.02 3h96 h GLU 113 N 0.95 1.00 -0.52 3.45 4.57 -0.86 -1.01 114.58 122.16 3h96 h GLU 113 Ca 0.46 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 3h96 h GLU 113 Cb 0.46 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 3h96 h GLU 113 CO -0.22 1.03 0.32 0.37 -1.18 0.00 0.00 179.01 179.33 3h96 h GLN 114 N 0.87 0.63 -0.09 1.92 5.75 -0.84 -1.79 115.11 121.57 3h96 h GLN 114 Ca 0.15 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 3h96 h GLN 114 Cb 0.62 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 3h96 h GLN 114 CO 0.04 0.42 -0.40 0.00 -2.65 0.00 0.00 178.83 176.24 3h96 h ALA 115 N 1.21 1.17 -0.37 3.38 0.00 -1.03 0.20 119.26 123.82 3h96 h ALA 115 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h96 h ALA 115 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h96 h ALA 115 CO -0.07 0.57 0.24 -0.09 0.00 0.00 0.00 179.25 179.89 3h96 h ARG 116 N 0.16 0.49 -0.06 0.00 2.43 -0.92 -2.59 114.38 113.88 3h96 h ARG 116 Ca 0.01 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 3h96 h ARG 116 Cb 0.78 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3h96 h ARG 116 CO 0.06 0.34 -0.74 0.00 -1.51 0.00 0.00 179.97 178.12 3h96 h ARG 117 N 0.49 0.37 -2.66 0.20 3.08 -0.83 -3.40 114.38 111.63 3h96 h ARG 117 Ca 0.13 -0.31 -0.58 0.00 0.07 0.00 0.00 59.98 59.29 3h96 h ARG 117 Cb -0.04 0.07 -0.39 0.00 0.08 0.00 0.00 29.97 29.69 3h96 h ARG 117 CO -0.03 0.96 -0.83 0.71 -1.07 0.00 0.00 179.97 179.71 3h96 s TYR 118 N -3.57 0.87 -0.92 3.04 1.51 0.65 -5.01 117.35 113.91 3h96 s TYR 118 Ca -0.05 -1.68 0.15 0.00 -1.01 0.00 0.00 57.07 54.47 3h96 s TYR 118 Cb 0.10 -1.05 0.65 0.00 -0.11 0.00 0.00 41.96 41.55 3h96 s TYR 118 CO 0.84 -0.82 1.48 -2.30 -1.11 0.00 0.00 175.55 173.63 3h96 n PRO 119 N 4.06 0.03 -0.27 -1.71 -0.02 -0.98 -1.04 135.00 135.06 3h96 n PRO 119 Ca 0.10 0.29 0.28 0.00 -2.02 0.00 0.00 63.50 62.16 3h96 n PRO 119 Cb 0.37 -1.55 0.66 0.00 -0.02 0.00 0.00 33.50 32.96 3h96 n PRO 119 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h96 h GLY 120 N 2.34 0.38 2.00 -1.23 0.00 -1.94 -1.61 103.07 103.00 3h96 h GLY 120 Ca 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3h96 h GLY 120 CO 0.00 -0.03 -0.32 0.74 0.00 0.00 0.00 176.54 176.92 3h96 h PHE 121 N 0.13 0.00 -0.60 5.60 0.04 -1.39 -1.21 116.94 119.51 3h96 h PHE 121 Ca 0.52 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.20 3h96 h PHE 121 Cb 1.79 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.92 3h96 h PHE 121 CO -0.00 0.32 0.03 0.00 -0.60 0.00 0.00 178.31 178.06 3h96 h ALA 122 N 1.68 0.90 -0.69 2.45 0.00 -1.49 -2.85 119.26 119.26 3h96 h ALA 122 Ca -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.65 3h96 h ALA 122 Cb 0.57 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3h96 h ALA 122 CO 0.04 0.66 0.42 -0.44 0.00 0.00 0.00 179.25 179.93 3h96 h ASP 123 N 0.96 0.69 -0.84 0.00 3.32 -1.32 -2.16 116.42 117.06 3h96 h ASP 123 Ca 0.18 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.29 3h96 h ASP 123 Cb 0.52 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.87 3h96 h ASP 123 CO 0.02 0.47 0.52 1.88 -1.72 0.00 0.00 179.24 180.41 3h96 h TYR 124 N 0.82 0.95 -0.29 4.55 0.05 -1.05 -0.79 116.97 121.22 3h96 h TYR 124 Ca 0.28 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.98 3h96 h TYR 124 Cb 0.05 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.48 3h96 h TYR 124 CO -0.05 0.48 -0.29 0.93 -1.05 0.00 0.00 178.16 178.18 3h96 h GLU 125 N 0.94 0.59 -0.70 4.88 5.08 -1.25 -1.13 114.58 122.99 3h96 h GLU 125 Ca 0.37 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3h96 h GLU 125 Cb 0.18 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3h96 h GLU 125 CO -0.18 0.82 0.23 0.87 -1.00 0.00 0.00 179.01 179.76 3h96 h LYS 126 N 0.51 1.06 -0.15 2.33 1.57 -0.90 -1.16 116.57 119.83 3h96 h LYS 126 Ca 0.06 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 3h96 h LYS 126 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3h96 h LYS 126 CO 0.06 0.89 -0.31 0.87 -0.57 0.00 0.00 179.45 180.40 3h96 h LYS 127 N 1.03 0.29 -0.06 3.15 1.57 -0.66 -2.94 116.57 118.94 3h96 h LYS 127 Ca 0.23 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3h96 h LYS 127 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 3h96 h LYS 127 CO -0.01 0.57 0.00 0.25 -0.57 0.00 0.00 179.45 179.69 3h96 n THR 128 N -4.11 0.06 -1.80 -0.16 -2.24 -0.47 -4.92 114.28 100.64 3h96 n THR 128 Ca -0.01 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 3h96 n THR 128 Cb 0.41 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 3h96 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h96 s ALA 129 N -1.94 3.77 0.00 6.98 0.00 -0.46 -0.25 121.76 129.86 3h96 s ALA 129 Ca 0.34 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.70 3h96 s ALA 129 Cb 0.20 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3h96 s ALA 129 CO 0.31 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3h96 n GLY 130 N 4.08 1.13 0.87 0.00 0.00 -1.26 -4.80 105.19 105.21 3h96 n GLY 130 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 3h96 n GLY 130 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h96 n ILE 131 N -2.00 0.86 -3.72 -0.61 5.41 0.66 -5.09 119.36 114.86 3h96 n ILE 131 Ca 0.00 0.19 -0.12 0.00 1.00 0.00 0.00 62.75 63.81 3h96 n ILE 131 Cb 0.00 -1.66 -0.10 0.00 -0.71 0.00 0.00 39.64 37.17 3h96 n ILE 131 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3h96 s ARG 132 N -2.13 0.44 -0.25 0.38 3.52 -0.20 -5.11 118.95 115.61 3h96 s ARG 132 Ca -0.06 0.65 -0.22 0.00 -0.13 0.00 0.00 55.73 55.98 3h96 s ARG 132 Cb 0.01 0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.52 3h96 s ARG 132 CO 0.08 -0.10 0.70 0.99 -0.81 0.00 0.00 175.30 176.16 3h96 s THR 133 N 0.68 4.93 0.03 4.11 2.01 -1.26 -4.47 115.64 121.67 3h96 s THR 133 Ca -0.04 1.26 -0.30 0.00 0.31 0.00 0.00 61.69 62.92 3h96 s THR 133 Cb -0.05 -4.00 -0.08 0.00 0.01 0.00 0.00 72.50 68.38 3h96 s THR 133 CO -0.05 -0.02 1.89 -0.63 -0.69 0.00 0.00 174.62 175.13 3h96 s ILE 134 N 2.63 3.09 0.57 1.82 1.01 -1.26 -4.94 121.20 124.11 3h96 s ILE 134 Ca 0.29 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.91 3h96 s ILE 134 Cb -0.15 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 3h96 s ILE 134 CO 0.08 -0.01 1.14 -2.84 0.00 0.00 0.00 174.94 173.31 3h96 s PRO 135 N 4.22 3.22 -0.11 2.79 0.02 -1.26 -4.81 135.00 139.07 3h96 s PRO 135 Ca 0.85 1.62 0.03 0.00 0.02 0.00 0.00 61.00 63.52 3h96 s PRO 135 Cb -0.41 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.13 3h96 s PRO 135 CO 0.39 -0.96 -0.22 0.08 -0.33 0.00 0.00 177.00 175.96 3h96 s VAL 136 N -1.81 1.94 0.05 3.83 1.01 -1.26 -0.40 120.40 123.76 3h96 s VAL 136 Ca 0.73 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.83 3h96 s VAL 136 Cb -0.25 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 3h96 s VAL 136 CO 0.30 0.53 -0.13 -0.76 0.00 0.00 0.00 175.10 175.04 3h96 s LEU 137 N 0.56 2.88 -0.20 3.92 1.43 -0.45 -0.91 118.68 125.91 3h96 s LEU 137 Ca -0.14 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 3h96 s LEU 137 Cb -0.17 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3h96 s LEU 137 CO 0.05 0.24 0.23 0.00 0.23 0.00 0.00 176.35 177.10 3h96 s ALA 138 N -1.02 3.62 -0.36 4.21 0.00 0.55 -0.83 121.76 127.93 3h96 s ALA 138 Ca 0.17 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 3h96 s ALA 138 Cb -0.11 -2.35 0.06 0.00 0.00 0.00 0.00 23.12 20.72 3h96 s ALA 138 CO 0.08 -0.02 0.13 -0.51 0.00 0.00 0.00 175.76 175.45 3h96 s LEU 139 N 0.71 4.59 -0.24 0.00 1.43 0.53 -1.82 118.68 123.88 3h96 s LEU 139 Ca 0.12 -1.41 -0.07 0.00 -1.03 0.00 0.00 54.13 51.74 3h96 s LEU 139 Cb -0.13 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3h96 s LEU 139 CO 0.03 -0.40 0.05 -0.89 0.23 0.00 0.00 176.35 175.37 3h96 s THR 140 N 1.33 4.21 0.17 5.49 2.01 -0.11 -1.68 115.64 127.05 3h96 s THR 140 Ca 0.00 -0.21 -0.32 0.00 0.31 0.00 0.00 61.69 61.48 3h96 s THR 140 Cb -0.21 -2.95 -0.11 0.00 0.01 0.00 0.00 72.50 69.23 3h96 s THR 140 CO 0.01 0.36 1.78 -1.14 -0.69 0.00 0.00 174.62 174.93 3h96 n ARG 141 N 4.75 2.76 0.00 4.92 0.63 0.02 -0.34 116.66 129.41 3h96 n ARG 141 Ca -0.16 1.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.80 3h96 n ARG 141 Cb 0.51 -2.87 0.03 0.00 0.45 0.00 0.00 32.46 30.58 3h96 n ARG 141 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37