#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h96 h TRP 7 N 0.00 -1.57 -0.81 -0.67 7.01 -2.05 -1.50 115.95 116.36 3h96 h TRP 7 Ca 0.00 0.07 0.17 0.00 2.11 0.00 0.00 58.89 61.24 3h96 h TRP 7 Cb 0.00 0.72 -0.15 0.00 -2.10 0.00 0.00 29.16 27.63 3h96 h TRP 7 CO 0.00 -0.51 -0.15 -0.97 -2.79 0.00 0.00 178.44 174.02 3h96 h ASN 8 N -0.48 -0.66 -0.98 2.65 -1.24 -1.99 0.79 115.58 113.67 3h96 h ASN 8 Ca 0.06 0.24 0.14 0.00 0.71 0.00 0.00 56.30 57.45 3h96 h ASN 8 Cb 0.64 0.47 -0.09 0.00 0.73 0.00 0.00 38.32 40.07 3h96 h ASN 8 CO -0.51 -0.26 0.62 -1.28 -1.29 0.00 0.00 177.43 174.71 3h96 h SER 9 N 0.02 0.84 0.35 1.15 0.87 -1.89 -1.65 113.55 113.23 3h96 h SER 9 Ca 0.41 0.06 -0.25 0.00 -1.23 0.00 0.00 61.79 60.77 3h96 h SER 9 Cb 0.66 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3h96 h SER 9 CO -0.81 0.41 -1.05 1.56 -0.53 0.00 0.00 176.83 176.41 3h96 h GLN 10 N 0.88 0.42 -0.49 2.24 4.20 0.16 -0.65 115.11 121.88 3h96 h GLN 10 Ca 0.50 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3h96 h GLN 10 Cb 0.63 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 3h96 h GLN 10 CO -0.28 1.18 0.18 0.28 -0.67 0.00 0.00 178.83 179.53 3h96 h VAL 11 N 0.21 1.22 -0.32 -0.54 2.07 -1.11 0.15 116.25 117.92 3h96 h VAL 11 Ca -0.11 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3h96 h VAL 11 Cb 1.71 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3h96 h VAL 11 CO 0.18 0.25 0.12 0.40 0.02 0.00 0.00 177.57 178.55 3h96 h ILE 12 N 0.65 1.19 -0.67 4.57 2.04 -1.19 -0.07 117.51 124.03 3h96 h ILE 12 Ca 0.16 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3h96 h ILE 12 Cb 0.22 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3h96 h ILE 12 CO -0.01 0.21 0.42 0.06 0.00 0.00 0.00 178.15 178.83 3h96 h GLN 13 N 0.37 0.89 -0.05 2.37 3.07 -0.93 -1.99 115.11 118.84 3h96 h GLN 13 Ca 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 3h96 h GLN 13 Cb 0.21 -0.19 -0.00 0.00 0.08 0.00 0.00 27.48 27.57 3h96 h GLN 13 CO -0.01 0.61 -0.03 1.49 0.09 0.00 0.00 178.83 180.99 3h96 h GLU 14 N 0.91 0.11 -0.72 0.06 4.81 -0.64 -0.97 114.58 118.14 3h96 h GLU 14 Ca 0.24 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.56 3h96 h GLU 14 Cb -0.07 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.18 3h96 h GLU 14 CO -0.05 0.50 -0.27 0.35 -0.73 0.00 0.00 179.01 178.82 3h96 h PHE 15 N -0.28 -0.68 0.00 0.92 3.57 -0.81 -0.92 116.94 118.73 3h96 h PHE 15 Ca 0.01 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3h96 h PHE 15 Cb 0.47 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3h96 h PHE 15 CO 0.07 -0.36 -0.26 0.00 -2.23 0.00 0.00 178.31 175.53 3h96 h ARG 16 N -0.07 0.00 0.00 1.11 3.08 -1.14 0.33 114.38 117.69 3h96 h ARG 16 Ca 0.31 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.28 3h96 h ARG 16 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3h96 h ARG 16 CO -0.76 0.26 -0.57 0.00 -1.07 0.00 0.00 179.97 177.82 3h96 h ALA 17 N 1.74 0.73 -0.49 0.04 0.00 -0.36 -3.38 119.26 117.54 3h96 h ALA 17 Ca -0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 54.91 54.22 3h96 h ALA 17 Cb 0.87 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.44 3h96 h ALA 17 CO 0.03 0.46 -0.34 0.09 0.00 0.00 0.00 179.25 179.49 3h96 n ASN 18 N -3.09 3.72 -2.65 0.00 3.02 -0.43 -4.95 115.26 110.89 3h96 n ASN 18 Ca 0.00 -3.80 -0.22 0.00 -0.03 0.00 0.00 54.58 50.53 3h96 n ASN 18 Cb 0.68 -0.54 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.96 -0.51 1.03 7.41 0.00 -1.19 -3.19 105.19 107.79 3h96 n GLY 19 Ca 0.37 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.23 1.00 3.13 -0.02 0.00 0.11 -4.24 105.19 103.94 3h96 n GLY 20 Ca -0.19 -0.50 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.05 0.76 0.02 1.61 0.52 -1.19 -4.58 118.95 114.03 3h96 s ARG 21 Ca 0.00 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3h96 s ARG 21 Cb 0.00 -0.71 -0.01 0.00 0.52 0.00 0.00 34.95 34.75 3h96 s ARG 21 CO 0.00 0.16 -0.05 0.08 0.02 0.00 0.00 175.30 175.51 3h96 s VAL 22 N -1.14 0.33 0.00 3.52 1.01 -1.26 -3.77 120.40 119.08 3h96 s VAL 22 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3h96 s VAL 22 Cb -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.94 3h96 s VAL 22 CO 0.01 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.56 3h96 n GLY 23 N 2.28 1.54 7.00 4.51 0.00 -1.26 -2.22 105.19 117.04 3h96 n GLY 23 Ca -0.18 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 2.92 0.04 -0.02 0.00 -1.26 -1.97 105.19 109.90 3h96 n GLY 24 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.69 3h96 n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h96 n ASN 25 N 0.88 0.13 -0.46 1.61 3.02 -1.26 -1.41 115.26 117.77 3h96 n ASN 25 Ca 0.00 0.55 0.07 0.00 -0.03 0.00 0.00 54.58 55.17 3h96 n ASN 25 Cb 0.00 -0.57 0.03 0.00 -0.61 0.00 0.00 39.78 38.63 3h96 n ASN 25 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h96 n PHE 26 N -1.67 0.00 -1.65 3.10 3.72 -0.83 -4.99 117.46 115.15 3h96 n PHE 26 Ca -0.00 0.00 -0.63 0.00 -0.05 0.00 0.00 57.45 56.77 3h96 n PHE 26 Cb 0.02 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.46 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 0.40 0.40 -0.73 -1.08 0.00 -0.50 -1.33 120.64 117.81 3h96 n GLU 27 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.37 3h96 n GLU 27 Cb 0.33 -1.74 0.00 0.00 0.00 0.00 0.00 31.44 30.03 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 4.74 1.48 3.89 8.31 0.00 -1.26 -5.03 105.19 117.34 3h96 n GLY 28 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.70 3.60 1.01 4.61 0.00 -0.44 -5.13 121.76 121.69 3h96 s ALA 29 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 3h96 s ALA 29 Cb 0.00 -2.36 0.20 0.00 0.00 0.00 0.00 23.12 20.97 3h96 s ALA 29 CO 0.00 0.32 1.21 -2.14 0.00 0.00 0.00 175.76 175.15 3h96 s PRO 30 N -3.32 0.32 -0.29 0.00 0.02 -1.26 -4.79 135.00 125.67 3h96 s PRO 30 Ca 0.45 -0.10 -0.25 0.00 0.02 0.00 0.00 61.00 61.12 3h96 s PRO 30 Cb -0.11 -1.78 0.17 0.00 0.02 0.00 0.00 34.50 32.80 3h96 s PRO 30 CO 0.27 -2.68 1.31 0.54 -0.33 0.00 0.00 177.00 176.11 3h96 s VAL 32 N -3.46 0.00 -0.33 3.83 0.11 -1.26 -1.42 120.40 117.87 3h96 s VAL 32 Ca 0.70 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.62 3h96 s VAL 32 Cb -0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 3h96 s VAL 32 CO 0.54 0.00 0.24 -0.76 -3.33 0.00 0.00 175.10 171.79 3h96 s LEU 33 N 0.08 4.46 -0.27 2.54 1.43 -0.72 -4.30 118.68 121.91 3h96 s LEU 33 Ca 0.06 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3h96 s LEU 33 Cb -0.05 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3h96 s LEU 33 CO -0.13 -0.22 0.22 -0.69 0.23 0.00 0.00 176.35 175.77 3h96 s VAL 34 N 1.75 5.30 -0.20 -1.59 1.01 -0.26 -0.83 120.40 125.57 3h96 s VAL 34 Ca 0.07 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 3h96 s VAL 34 Cb -0.17 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3h96 s VAL 34 CO 0.11 0.26 0.43 -1.00 0.00 0.00 0.00 175.10 174.90 3h96 s HIS 35 N 1.64 3.37 0.24 5.22 3.76 0.12 -0.79 115.29 128.85 3h96 s HIS 35 Ca 0.09 0.66 0.01 0.00 -0.15 0.00 0.00 55.06 55.66 3h96 s HIS 35 Cb -0.15 -2.57 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 3h96 s HIS 35 CO 0.09 -0.04 0.12 -3.38 -0.85 0.00 0.00 174.74 170.68 3h96 s HIS 36 N 1.43 1.38 -0.04 1.40 -3.43 -0.14 -3.62 115.29 112.27 3h96 s HIS 36 Ca 0.20 -1.31 0.02 0.00 -0.80 0.00 0.00 55.06 53.17 3h96 s HIS 36 Cb -0.15 -0.73 0.02 0.00 -1.43 0.00 0.00 32.58 30.28 3h96 s HIS 36 CO 0.09 -0.51 -0.07 0.08 -2.00 0.00 0.00 174.74 172.33 3h96 s VAL 37 N -3.92 0.67 0.06 -5.38 1.01 -1.26 -0.24 120.40 111.34 3h96 s VAL 37 Ca 0.38 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3h96 s VAL 37 Cb 0.07 -0.65 -0.09 0.00 0.00 0.00 0.00 36.38 35.71 3h96 s VAL 37 CO 0.14 0.24 1.93 -0.83 0.00 0.00 0.00 175.10 176.58 3h96 s GLY 38 N 0.70 1.42 0.26 4.51 0.00 -0.38 -4.68 107.32 109.16 3h96 s GLY 38 Ca -0.10 1.35 0.21 0.00 0.00 0.00 0.00 44.72 46.17 3h96 s GLY 38 CO 0.01 3.38 1.63 -0.96 0.00 0.00 0.00 173.10 177.16 3h96 n ARG 39 N 7.06 0.15 -0.04 2.90 1.85 -1.26 -0.38 116.66 126.94 3h96 n ARG 39 Ca 0.19 0.53 -0.05 0.00 -1.00 0.00 0.00 57.85 57.52 3h96 n ARG 39 Cb 0.40 -1.87 -0.05 0.00 -1.05 0.00 0.00 32.46 29.89 3h96 n ARG 39 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3h96 n LYS 40 N -2.17 1.43 -0.03 2.89 5.02 -1.26 -4.77 118.16 119.28 3h96 n LYS 40 Ca 0.00 0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.27 3h96 n LYS 40 Cb 0.11 -1.17 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 3h96 n LYS 40 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3h96 n THR 41 N -2.52 1.27 -0.74 -0.18 -2.24 -1.14 -4.95 114.28 103.77 3h96 n THR 41 Ca -0.13 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 3h96 n THR 41 Cb 0.69 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3h96 n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h96 n GLY 42 N 1.54 0.64 3.81 3.38 0.00 0.49 -4.94 105.19 110.11 3h96 n GLY 42 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3h96 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h96 s LYS 43 N -0.26 3.74 0.38 1.61 1.02 -1.26 -4.67 119.74 120.29 3h96 s LYS 43 Ca 0.00 -0.18 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 3h96 s LYS 43 Cb 0.00 -3.27 -0.09 0.00 -0.52 0.00 0.00 37.83 33.95 3h96 s LYS 43 CO 0.00 0.57 1.18 0.00 -0.92 0.00 0.00 175.35 176.19 3h96 s ALA 44 N -0.44 3.23 0.13 5.17 0.00 -1.26 -1.25 121.76 127.34 3h96 s ALA 44 Ca 0.12 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.99 3h96 s ALA 44 Cb -0.12 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3h96 s ALA 44 CO 0.01 -0.52 0.26 0.00 0.00 0.00 0.00 175.76 175.52 3h96 s ALA 45 N -1.35 -0.14 -0.08 0.00 0.00 0.67 -4.95 121.76 115.90 3h96 s ALA 45 Ca 0.55 -0.73 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 3h96 s ALA 45 Cb -0.32 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.53 3h96 s ALA 45 CO 0.41 -0.59 -0.03 0.08 0.00 0.00 0.00 175.76 175.63 3h96 s VAL 46 N -3.92 0.59 -0.13 0.00 1.01 -1.26 -0.96 120.40 115.74 3h96 s VAL 46 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3h96 s VAL 46 Cb 0.04 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.75 3h96 s VAL 46 CO -0.05 0.29 -0.13 -0.89 0.00 0.00 0.00 175.10 174.31 3h96 s THR 47 N 1.71 1.45 0.32 3.92 2.01 0.03 -4.92 115.64 120.15 3h96 s THR 47 Ca 0.02 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.24 3h96 s THR 47 Cb -0.13 -1.36 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 3h96 s THR 47 CO -0.05 0.44 0.84 -2.16 -0.69 0.00 0.00 174.62 172.99 3h96 s PRO 48 N 1.32 4.29 -0.08 4.92 0.04 -1.26 -1.10 135.00 143.13 3h96 s PRO 48 Ca 0.00 1.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.73 3h96 s PRO 48 Cb -0.14 -2.61 0.13 0.00 0.04 0.00 0.00 34.50 31.92 3h96 s PRO 48 CO -0.07 0.22 1.24 1.52 0.04 0.00 0.00 177.00 179.95 3h96 s TYR 51 N -1.79 -0.08 -0.16 0.56 -0.85 -0.50 -4.97 117.35 109.56 3h96 s TYR 51 Ca 0.51 -0.01 -0.00 0.00 -0.52 0.00 0.00 57.07 57.06 3h96 s TYR 51 Cb -0.14 0.54 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 3h96 s TYR 51 CO 0.19 -0.27 -0.14 -1.17 -1.52 0.00 0.00 175.55 172.64 3h96 s LEU 52 N -2.67 2.53 0.51 -3.49 2.96 -0.38 -4.48 118.68 113.67 3h96 s LEU 52 Ca 0.12 -0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 53.38 3h96 s LEU 52 Cb 0.02 -1.58 -0.06 0.00 0.50 0.00 0.00 46.19 45.07 3h96 s LEU 52 CO -0.04 0.08 1.14 -2.16 -1.32 0.00 0.00 176.35 174.05 3h96 s PRO 53 N 0.84 3.50 0.26 0.98 0.04 -1.26 -0.96 135.00 138.39 3h96 s PRO 53 Ca -0.04 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 3h96 s PRO 53 Cb -0.15 -2.13 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 3h96 s PRO 53 CO -0.00 -0.74 1.39 0.45 0.04 0.00 0.00 177.00 178.14 3h96 s SER 54 N -1.65 6.71 0.00 6.66 0.15 -0.94 -4.85 113.70 119.79 3h96 s SER 54 Ca 0.70 2.63 0.30 0.00 0.70 0.00 0.00 55.95 60.28 3h96 s SER 54 Cb -0.25 -2.63 1.41 0.00 -1.71 0.00 0.00 66.02 62.85 3h96 s SER 54 CO 0.29 -0.64 1.96 0.47 1.20 0.00 0.00 173.24 176.52 3h96 n ASP 55 N 2.03 0.49 0.00 5.45 10.43 -1.26 -4.25 116.55 129.43 3h96 n ASP 55 Ca 0.05 -0.84 0.00 0.00 2.57 0.00 0.00 54.79 56.57 3h96 n ASP 55 Cb 0.41 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.32 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 -0.78 4.64 -3.53 -2.24 9.92 -1.26 -5.00 116.55 118.29 3h96 n ASP 56 Ca 0.18 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.22 3h96 n ASP 56 Cb 0.24 0.76 -0.14 0.00 -0.64 0.00 0.00 41.12 41.34 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 -2.21 1.97 0.42 -2.24 3.68 -1.26 -5.13 116.67 111.89 3h96 s ASP 57 Ca 0.00 -0.52 -0.27 0.00 2.13 0.00 0.00 52.55 53.90 3h96 s ASP 57 Cb 0.00 0.10 -0.09 0.00 -1.45 0.00 0.00 42.92 41.48 3h96 s ASP 57 CO 0.00 -0.35 1.45 -2.84 0.13 0.00 0.00 175.17 173.56 3h96 s PRO 58 N 2.24 3.88 0.00 4.34 0.02 -1.26 -2.07 135.00 142.15 3h96 s PRO 58 Ca 0.06 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3h96 s PRO 58 Cb -0.16 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.56 3h96 s PRO 58 CO -0.16 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.24 3h96 n GLY 59 N 0.53 1.87 3.68 0.52 0.00 -1.26 -4.95 105.19 105.58 3h96 n GLY 59 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.45 4.75 0.17 2.61 2.01 -0.88 -0.98 115.64 120.87 3h96 s THR 60 Ca 0.00 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.02 3h96 s THR 60 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 3h96 s THR 60 CO 0.00 0.52 -0.16 0.27 -0.69 0.00 0.00 174.62 174.57 3h96 s ILE 61 N -0.18 1.67 -0.12 1.82 -4.36 -0.50 -2.21 121.20 117.33 3h96 s ILE 61 Ca 0.07 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 3h96 s ILE 61 Cb -0.12 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 3h96 s ILE 61 CO 0.01 -0.45 -0.12 -0.31 0.24 0.00 0.00 174.94 174.32 3h96 s TYR 62 N -2.45 2.83 0.32 1.37 2.02 -0.14 -0.25 117.35 121.06 3h96 s TYR 62 Ca 0.17 -0.47 0.10 0.00 -0.37 0.00 0.00 57.07 56.50 3h96 s TYR 62 Cb -0.03 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3h96 s TYR 62 CO 0.06 -0.08 -0.04 0.14 -1.57 0.00 0.00 175.55 174.06 3h96 s VAL 63 N 0.09 2.70 -0.13 0.71 -7.23 0.41 -1.25 120.40 115.69 3h96 s VAL 63 Ca -0.05 -2.06 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3h96 s VAL 63 Cb -0.14 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.12 3h96 s VAL 63 CO 0.04 -0.26 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.10 3h96 s PHE 64 N -2.49 1.81 -1.19 2.82 0.08 -1.26 -1.37 117.98 116.38 3h96 s PHE 64 Ca 0.33 -0.98 -0.08 0.00 0.12 0.00 0.00 56.93 56.32 3h96 s PHE 64 Cb -0.02 -1.41 -0.06 0.00 -0.57 0.00 0.00 43.02 40.97 3h96 s PHE 64 CO 0.18 -0.59 2.94 0.00 -0.10 0.00 0.00 175.22 177.65 3h96 n ALA 65 N 4.86 7.12 0.12 5.36 0.00 0.45 -4.63 120.51 133.79 3h96 n ALA 65 Ca -0.14 -3.33 -0.19 0.00 0.00 0.00 0.00 53.44 49.78 3h96 n ALA 65 Cb 0.50 -2.97 -0.15 0.00 0.00 0.00 0.00 19.45 16.83 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 4.42 0.57 -6.81 0.00 4.64 -1.95 -3.39 113.55 111.02 3h96 h SER 66 Ca 0.69 -0.61 -0.56 0.00 -0.47 0.00 0.00 61.79 60.83 3h96 h SER 66 Cb 0.53 -0.18 -0.21 0.00 -0.31 0.00 0.00 62.40 62.23 3h96 h SER 66 CO 1.38 1.48 -0.87 1.17 -0.87 0.00 0.00 176.83 179.12 3h96 n LYS 67 N -3.59 -2.56 -2.87 4.77 4.81 -1.26 -0.40 118.16 117.06 3h96 n LYS 67 Ca -0.12 0.31 -0.18 0.00 -0.87 0.00 0.00 58.31 57.46 3h96 n LYS 67 Cb 1.05 -4.76 -0.00 0.00 0.02 0.00 0.00 35.03 31.34 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 -4.36 -0.91 -1.36 3.14 0.00 -1.26 -1.32 120.51 114.44 3h96 n ALA 68 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 3h96 n ALA 68 Cb 0.55 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.02 0.67 3.67 0.00 0.00 0.46 -4.92 105.19 104.05 3h96 n GLY 69 Ca -0.09 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.22 1.04 0.38 4.61 0.00 -0.43 -4.44 121.76 120.70 3h96 s ALA 70 Ca 0.00 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 51.86 3h96 s ALA 70 Cb 0.00 -3.17 0.76 0.00 0.00 0.00 0.00 23.12 20.70 3h96 s ALA 70 CO 0.00 -2.76 1.94 0.00 0.00 0.00 0.00 175.76 174.95 3h96 h ALA 71 N -1.84 1.52 -3.23 0.00 0.00 -1.92 -3.45 119.26 110.35 3h96 h ALA 71 Ca -0.53 -0.15 -0.64 0.00 0.00 0.00 0.00 54.91 53.59 3h96 h ALA 71 Cb 1.31 -0.12 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3h96 h ALA 71 CO 0.55 0.35 -0.70 -1.12 0.00 0.00 0.00 179.25 178.33 3h96 s SER 72 N -6.79 4.62 0.53 0.00 0.01 -1.26 -4.68 113.70 106.13 3h96 s SER 72 Ca -0.07 -0.37 -0.22 0.00 1.31 0.00 0.00 55.95 56.60 3h96 s SER 72 Cb 0.16 -0.95 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 3h96 s SER 72 CO 0.74 0.14 1.35 0.20 0.41 0.00 0.00 173.24 176.08 3h96 s ASN 73 N -2.54 5.40 0.62 2.44 0.01 -1.26 -4.87 114.94 114.74 3h96 s ASN 73 Ca 0.25 2.75 -0.17 0.00 -0.71 0.00 0.00 52.86 54.98 3h96 s ASN 73 Cb -0.10 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 38.90 3h96 s ASN 73 CO 0.16 -1.48 1.13 -2.16 -1.51 0.00 0.00 177.10 173.25 3h96 s PRO 74 N -2.84 2.98 0.26 -0.60 0.04 -1.26 -4.95 135.00 128.63 3h96 s PRO 74 Ca 0.70 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 63.23 3h96 s PRO 74 Cb -0.40 -1.96 0.35 0.00 0.04 0.00 0.00 34.50 32.53 3h96 s PRO 74 CO 0.48 -1.14 1.91 0.00 0.04 0.00 0.00 177.00 178.29 3h96 h ALA 75 N 0.51 1.35 -0.45 8.56 0.00 -2.01 -2.32 119.26 124.91 3h96 h ALA 75 Ca -0.48 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.50 3h96 h ALA 75 Cb 1.26 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3h96 h ALA 75 CO 0.55 0.55 0.32 0.11 0.00 0.00 0.00 179.25 180.77 3h96 h TRP 76 N 1.26 0.06 0.19 0.00 5.08 -1.99 -1.82 115.95 118.73 3h96 h TRP 76 Ca 0.40 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.37 3h96 h TRP 76 Cb 0.01 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 3h96 h TRP 76 CO -0.00 0.03 -0.13 -0.92 -1.28 0.00 0.00 178.44 176.14 3h96 h TYR 77 N 0.05 -0.34 -0.37 0.12 3.20 -1.80 0.15 116.97 117.98 3h96 h TYR 77 Ca 0.21 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 3h96 h TYR 77 Cb 0.78 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3h96 h TYR 77 CO -0.00 -0.20 -0.22 1.88 -1.64 0.00 0.00 178.16 177.98 3h96 h TYR 78 N -0.32 0.83 -0.24 -3.82 0.05 -1.54 -2.13 116.97 109.80 3h96 h TYR 78 Ca -0.01 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.58 3h96 h TYR 78 Cb 0.28 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3h96 h TYR 78 CO -0.10 0.89 0.15 -0.91 -1.05 0.00 0.00 178.16 177.14 3h96 h ASN 79 N 0.64 0.29 -0.18 3.88 2.35 -0.85 -1.28 115.58 120.42 3h96 h ASN 79 Ca 0.09 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3h96 h ASN 79 Cb 0.71 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3h96 h ASN 79 CO 0.05 0.25 0.01 -0.07 -1.65 0.00 0.00 177.43 176.03 3h96 h LEU 80 N 0.30 0.31 -1.00 1.61 3.38 -0.51 -1.81 115.31 117.60 3h96 h LEU 80 Ca 0.09 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3h96 h LEU 80 Cb 0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3h96 h LEU 80 CO -0.02 0.52 -0.30 0.71 0.09 0.00 0.00 178.44 179.45 3h96 h THR 81 N 0.09 0.71 -0.11 0.22 1.35 -1.41 0.22 112.91 113.99 3h96 h THR 81 Ca 0.05 -1.33 -0.08 0.00 -0.55 0.00 0.00 66.41 64.51 3h96 h THR 81 Cb 0.36 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3h96 h THR 81 CO 0.01 0.29 -0.23 0.74 -0.25 0.00 0.00 175.52 176.08 3h96 h THR 82 N 0.00 1.38 -0.01 6.82 2.02 -1.18 -3.32 112.91 118.63 3h96 h THR 82 Ca -0.00 -1.51 -0.19 0.00 0.77 0.00 0.00 66.41 65.47 3h96 h THR 82 Cb 0.83 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3h96 h THR 82 CO 0.04 0.44 -0.85 0.00 0.37 0.00 0.00 175.52 175.52 3h96 h ALA 83 N 0.52 0.55 0.00 6.16 0.00 -0.86 -3.47 119.26 122.16 3h96 h ALA 83 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3h96 h ALA 83 Cb 0.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3h96 h ALA 83 CO 0.05 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.60 3h96 n GLY 84 N 0.80 2.61 3.27 0.00 0.00 0.75 -4.96 105.19 107.67 3h96 n GLY 84 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 3h96 n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h96 s THR 85 N -2.87 0.10 0.37 2.61 -1.32 -1.26 -0.71 115.64 112.56 3h96 s THR 85 Ca 0.00 -0.88 -0.15 0.00 -1.21 0.00 0.00 61.69 59.46 3h96 s THR 85 Cb 0.00 -1.28 0.05 0.00 -1.51 0.00 0.00 72.50 69.75 3h96 s THR 85 CO 0.00 -0.46 0.74 0.00 -2.21 0.00 0.00 174.62 172.70 3h96 s ALA 86 N -3.84 -0.60 -0.01 11.08 0.00 -0.42 -4.92 121.76 123.06 3h96 s ALA 86 Ca 0.05 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.27 3h96 s ALA 86 Cb 0.03 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 3h96 s ALA 86 CO -0.11 -0.97 -0.24 -1.14 0.00 0.00 0.00 175.76 173.31 3h96 s GLN 87 N -2.56 1.87 0.11 0.00 0.74 -1.24 -0.42 119.66 118.16 3h96 s GLN 87 Ca 0.17 -0.88 0.04 0.00 0.05 0.00 0.00 55.36 54.74 3h96 s GLN 87 Cb -0.05 -1.84 -0.04 0.00 1.10 0.00 0.00 33.01 32.18 3h96 s GLN 87 CO 0.12 0.50 -0.10 0.14 -0.55 0.00 0.00 175.29 175.40 3h96 s VAL 88 N -0.60 0.96 -0.18 1.34 -7.23 -0.42 -0.71 120.40 113.56 3h96 s VAL 88 Ca 0.09 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 3h96 s VAL 88 Cb -0.09 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 3h96 s VAL 88 CO -0.00 -0.62 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.54 3h96 s GLU 89 N -3.05 3.62 -0.04 4.82 2.02 -0.01 -1.59 118.70 124.47 3h96 s GLU 89 Ca 0.08 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.55 3h96 s GLU 89 Cb -0.01 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.23 3h96 s GLU 89 CO -0.00 0.09 -0.02 0.08 0.02 0.00 0.00 175.26 175.43 3h96 s VAL 90 N 0.79 0.37 0.00 2.63 1.01 -0.92 -1.75 120.40 122.53 3h96 s VAL 90 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3h96 s VAL 90 Cb -0.14 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3h96 s VAL 90 CO 0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.93 3h96 n GLY 91 N 4.33 2.54 1.04 4.51 0.00 -1.26 -0.81 105.19 115.54 3h96 n GLY 91 Ca -0.21 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 0.55 -3.10 2.61 -2.24 -1.26 -3.66 114.28 107.17 3h96 n THR 92 Ca 0.00 -0.70 -0.18 0.00 -2.27 0.00 0.00 64.05 60.91 3h96 n THR 92 Cb 0.00 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.45 2.80 -0.15 -0.78 2.02 0.01 -5.10 118.70 116.06 3h96 s GLU 93 Ca 0.38 -1.27 -0.06 0.00 0.02 0.00 0.00 54.97 54.04 3h96 s GLU 93 Cb 0.21 -2.71 0.07 0.00 0.10 0.00 0.00 34.13 31.80 3h96 s GLU 93 CO 0.29 -0.24 0.32 0.99 0.02 0.00 0.00 175.26 176.64 3h96 s THR 94 N -2.36 -0.31 0.17 3.63 2.01 -1.26 -2.15 115.64 115.37 3h96 s THR 94 Ca 0.54 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.58 3h96 s THR 94 Cb -0.09 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 71.93 3h96 s THR 94 CO 0.32 0.08 0.43 -0.72 -0.69 0.00 0.00 174.62 174.04 3h96 s TYR 95 N 2.01 -0.02 0.47 4.92 1.13 -0.62 -4.99 117.35 120.26 3h96 s TYR 95 Ca -0.04 -0.33 -0.19 0.00 -1.41 0.00 0.00 57.07 55.10 3h96 s TYR 95 Cb -0.11 0.25 -0.09 0.00 -1.10 0.00 0.00 41.96 40.91 3h96 s TYR 95 CO -0.10 -0.81 0.98 0.00 -2.51 0.00 0.00 175.55 173.10 3h96 s ALA 96 N -3.88 3.01 0.02 9.51 0.00 -1.26 -1.30 121.76 127.87 3h96 s ALA 96 Ca 0.09 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3h96 s ALA 96 Cb 0.01 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 3h96 s ALA 96 CO -0.05 -0.10 -0.05 0.14 0.00 0.00 0.00 175.76 175.70 3h96 s VAL 97 N -2.32 0.36 0.13 0.00 -7.23 0.44 -1.81 120.40 109.98 3h96 s VAL 97 Ca 0.62 -0.70 -0.22 0.00 -1.81 0.00 0.00 61.98 59.86 3h96 s VAL 97 Cb -0.11 -0.41 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 3h96 s VAL 97 CO 0.21 -0.23 0.69 -0.83 -0.31 0.00 0.00 175.10 174.64 3h96 s GLY 98 N -0.99 2.80 -0.15 2.32 0.00 0.06 -1.30 107.32 110.06 3h96 s GLY 98 Ca -0.07 0.22 -0.05 0.00 0.00 0.00 0.00 44.72 44.82 3h96 s GLY 98 CO -0.00 0.68 0.02 0.14 0.00 0.00 0.00 173.10 173.94 3h96 s VAL 99 N -1.16 4.40 0.04 1.40 1.01 0.11 -1.23 120.40 124.98 3h96 s VAL 99 Ca 0.34 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3h96 s VAL 99 Cb -0.21 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3h96 s VAL 99 CO 0.23 0.51 -0.05 0.42 0.00 0.00 0.00 175.10 176.21 3h96 s THR 100 N 0.01 0.36 -0.14 3.92 -4.23 -0.89 -4.84 115.64 109.83 3h96 s THR 100 Ca 0.04 -1.24 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 3h96 s THR 100 Cb -0.13 -0.75 -0.05 0.00 1.34 0.00 0.00 72.50 72.91 3h96 s THR 100 CO 0.02 -0.58 0.20 -0.70 -0.54 0.00 0.00 174.62 173.03 3h96 s GLU 101 N -2.16 3.94 -0.09 3.99 2.12 -1.26 -0.94 118.70 124.30 3h96 s GLU 101 Ca -0.07 -0.04 -0.16 0.00 0.36 0.00 0.00 54.97 55.06 3h96 s GLU 101 Cb -0.05 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 3h96 s GLU 101 CO -0.02 0.48 0.41 0.08 -0.54 0.00 0.00 175.26 175.66 3h96 s VAL 102 N -0.21 5.17 0.34 3.70 1.01 0.08 -4.92 120.40 125.57 3h96 s VAL 102 Ca 0.14 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.97 3h96 s VAL 102 Cb -0.12 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3h96 s VAL 102 CO 0.03 0.42 0.09 0.42 0.00 0.00 0.00 175.10 176.06 3h96 s THR 103 N 0.04 0.90 0.00 3.92 -4.23 -1.26 -4.32 115.64 110.69 3h96 s THR 103 Ca 0.23 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3h96 s THR 103 Cb -0.15 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.05 3h96 s THR 103 CO 0.10 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3h96 n GLY 104 N -0.71 0.33 0.34 3.99 0.00 -1.26 -2.87 105.19 105.02 3h96 n GLY 104 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.94 -0.63 1.61 4.39 -1.99 -2.31 114.58 116.59 3h96 h GLU 105 Ca 0.00 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.71 3h96 h GLU 105 Cb 0.00 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 28.38 3h96 h GLU 105 CO 0.00 0.64 0.28 -0.44 -1.16 0.00 0.00 179.01 178.33 3h96 h ASP 106 N 0.96 0.34 -0.07 1.42 5.19 -1.97 0.12 116.42 122.41 3h96 h ASP 106 Ca 0.26 0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.76 3h96 h ASP 106 Cb -0.07 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 3h96 h ASP 106 CO -0.05 0.21 -0.12 -0.09 -3.12 0.00 0.00 179.24 176.07 3h96 h ARG 107 N 0.50 -0.15 -0.90 3.56 2.43 -1.28 -2.05 114.38 116.48 3h96 h ARG 107 Ca 0.31 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.56 3h96 h ARG 107 Cb 0.33 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 3h96 h ARG 107 CO -0.26 -0.10 0.56 -0.44 -1.51 0.00 0.00 179.97 178.22 3h96 h ASP 108 N -0.16 0.88 -0.33 -3.80 3.32 -1.11 0.20 116.42 115.41 3h96 h ASP 108 Ca 0.07 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3h96 h ASP 108 Cb 0.26 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3h96 h ASP 108 CO -0.17 0.55 -0.37 0.08 -1.72 0.00 0.00 179.24 177.61 3h96 h ARG 109 N 1.00 0.83 -0.27 3.56 0.11 -0.72 0.18 114.38 119.07 3h96 h ARG 109 Ca 0.40 -0.46 -0.12 0.00 0.10 0.00 0.00 59.98 59.91 3h96 h ARG 109 Cb 0.22 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 3h96 h ARG 109 CO -0.19 1.09 -0.30 0.82 0.10 0.00 0.00 179.97 181.49 3h96 h ILE 110 N 0.62 1.31 -0.67 0.08 2.04 -0.88 -2.28 117.51 117.73 3h96 h ILE 110 Ca 0.05 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.44 3h96 h ILE 110 Cb 0.96 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 3h96 h ILE 110 CO 0.09 0.47 0.43 0.22 0.00 0.00 0.00 178.15 179.36 3h96 h TYR 111 N 0.41 0.81 -0.73 1.37 5.03 -0.62 -1.54 116.97 121.70 3h96 h TYR 111 Ca 0.04 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.40 3h96 h TYR 111 Cb 0.88 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.84 3h96 h TYR 111 CO 0.08 0.49 0.48 0.77 -1.32 0.00 0.00 178.16 178.66 3h96 h SER 112 N 0.87 0.78 -0.36 -2.11 0.02 -0.36 -0.27 113.55 112.11 3h96 h SER 112 Ca 0.25 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 3h96 h SER 112 Cb -0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3h96 h SER 112 CO -0.07 0.54 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.95 3h96 h GLU 113 N 0.91 0.72 -0.42 3.45 4.57 -0.89 -0.82 114.58 122.10 3h96 h GLU 113 Ca 0.29 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3h96 h GLU 113 Cb 0.02 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3h96 h GLU 113 CO -0.08 0.90 0.27 0.37 -1.18 0.00 0.00 179.01 179.30 3h96 h GLN 114 N 0.51 0.54 0.00 1.92 5.75 -0.77 -1.97 115.11 121.09 3h96 h GLN 114 Ca 0.09 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3h96 h GLN 114 Cb 0.66 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 3h96 h GLN 114 CO 0.04 0.36 -0.29 0.00 -2.65 0.00 0.00 178.83 176.30 3h96 h ALA 115 N 1.16 1.43 -0.46 3.38 0.00 -0.94 0.18 119.26 124.02 3h96 h ALA 115 Ca 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3h96 h ALA 115 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3h96 h ALA 115 CO -0.04 0.36 0.15 -0.09 0.00 0.00 0.00 179.25 179.63 3h96 h ARG 116 N 0.00 0.71 0.01 0.00 2.43 -0.72 -2.32 114.38 114.49 3h96 h ARG 116 Ca -0.00 -0.15 -0.23 0.00 -0.81 0.00 0.00 59.98 58.79 3h96 h ARG 116 Cb 0.54 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3h96 h ARG 116 CO 0.04 0.67 -0.96 0.00 -1.51 0.00 0.00 179.97 178.21 3h96 h ARG 117 N 0.60 0.37 -2.64 0.20 3.08 -0.80 -3.40 114.38 111.79 3h96 h ARG 117 Ca 0.15 -0.42 -0.59 0.00 0.07 0.00 0.00 59.98 59.19 3h96 h ARG 117 Cb 0.25 0.12 -0.39 0.00 0.08 0.00 0.00 29.97 30.03 3h96 h ARG 117 CO -0.01 1.10 -0.84 0.71 -1.07 0.00 0.00 179.97 179.86 3h96 s TYR 118 N -3.21 1.08 -1.02 3.04 1.51 0.59 -5.01 117.35 114.33 3h96 s TYR 118 Ca -0.05 -1.92 0.12 0.00 -1.01 0.00 0.00 57.07 54.22 3h96 s TYR 118 Cb 0.09 -1.14 0.54 0.00 -0.11 0.00 0.00 41.96 41.33 3h96 s TYR 118 CO 0.86 -0.81 1.39 -2.30 -1.11 0.00 0.00 175.55 173.58 3h96 n PRO 119 N 3.73 0.01 -0.30 -1.71 -0.02 -0.88 -0.68 135.00 135.16 3h96 n PRO 119 Ca 0.14 0.28 0.28 0.00 -2.02 0.00 0.00 63.50 62.18 3h96 n PRO 119 Cb 0.38 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 32.98 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 2.14 0.62 1.85 -1.23 0.00 -1.95 -0.16 103.07 104.34 3h96 h GLY 120 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3h96 h GLY 120 CO 0.00 -0.07 -0.07 0.74 0.00 0.00 0.00 176.54 177.14 3h96 h PHE 121 N 0.20 0.19 -0.14 5.60 0.04 -1.20 -0.92 116.94 120.71 3h96 h PHE 121 Ca 0.56 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 61.19 3h96 h PHE 121 Cb 1.79 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.87 3h96 h PHE 121 CO -0.00 0.27 -0.45 0.00 -0.60 0.00 0.00 178.31 177.53 3h96 h ALA 122 N 1.74 0.97 -0.51 2.45 0.00 -1.22 -2.50 119.26 120.19 3h96 h ALA 122 Ca 0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3h96 h ALA 122 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3h96 h ALA 122 CO 0.01 0.63 -0.09 0.22 0.00 0.00 0.00 179.25 180.02 3h96 h ASP 123 N 0.28 0.93 -0.91 0.00 3.58 -1.13 -1.88 116.42 117.30 3h96 h ASP 123 Ca 0.02 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.19 3h96 h ASP 123 Cb 0.91 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.66 3h96 h ASP 123 CO 0.07 1.04 0.60 1.88 -2.88 0.00 0.00 179.24 179.96 3h96 h TYR 124 N 0.85 1.14 -0.08 0.28 0.05 -0.84 -0.22 116.97 118.14 3h96 h TYR 124 Ca 0.14 0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.81 3h96 h TYR 124 Cb 0.63 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3h96 h TYR 124 CO 0.04 0.72 -0.57 1.49 -1.05 0.00 0.00 178.16 178.79 3h96 h GLU 125 N 1.23 0.25 -0.38 4.88 4.81 -1.17 -1.90 114.58 122.29 3h96 h GLU 125 Ca 0.33 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 3h96 h GLU 125 Cb -0.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3h96 h GLU 125 CO -0.07 0.75 -0.06 0.87 -0.73 0.00 0.00 179.01 179.76 3h96 h LYS 126 N 0.19 0.72 -0.75 1.92 1.57 -0.40 -2.12 116.57 117.69 3h96 h LYS 126 Ca -0.00 -0.26 0.17 0.00 -1.87 0.00 0.00 60.65 58.69 3h96 h LYS 126 Cb 1.05 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 3h96 h LYS 126 CO 0.09 0.85 0.51 0.87 -0.57 0.00 0.00 179.45 181.20 3h96 h LYS 127 N 0.53 0.29 -0.43 3.15 1.57 -0.92 -2.91 116.57 117.84 3h96 h LYS 127 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3h96 h LYS 127 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3h96 h LYS 127 CO 0.03 0.19 0.00 0.25 -0.57 0.00 0.00 179.45 179.35 3h96 n THR 128 N -4.45 0.61 -1.68 -0.16 -2.24 -0.73 -4.93 114.28 100.72 3h96 n THR 128 Ca 0.15 -0.81 -0.46 0.00 -2.27 0.00 0.00 64.05 60.66 3h96 n THR 128 Cb 0.61 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 3h96 n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h96 n ALA 129 N 1.39 1.13 -0.46 6.98 0.00 -0.81 -0.91 120.51 127.83 3h96 n ALA 129 Ca 0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3h96 n ALA 129 Cb 0.58 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3h96 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h96 n GLY 130 N 4.43 1.08 0.77 0.00 0.00 -1.26 -4.82 105.19 105.39 3h96 n GLY 130 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 1.00 -3.70 -0.61 5.41 -0.09 -5.09 119.36 114.29 3h96 n ILE 131 Ca 0.00 0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.80 3h96 n ILE 131 Cb 0.00 -1.74 -0.07 0.00 -0.71 0.00 0.00 39.64 37.13 3h96 n ILE 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h96 s ARG 132 N -2.22 0.86 -0.16 0.38 1.70 -0.59 -5.09 118.95 113.84 3h96 s ARG 132 Ca -0.09 -0.40 -0.17 0.00 -0.47 0.00 0.00 55.73 54.60 3h96 s ARG 132 Cb 0.02 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 3h96 s ARG 132 CO 0.13 -0.29 0.43 0.99 -1.08 0.00 0.00 175.30 175.48 3h96 s THR 133 N -2.42 5.20 -0.11 4.99 2.01 -1.26 -4.48 115.64 119.56 3h96 s THR 133 Ca -0.06 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.47 3h96 s THR 133 Cb -0.01 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 3h96 s THR 133 CO -0.02 0.29 1.60 -0.63 -0.69 0.00 0.00 174.62 175.18 3h96 s ILE 134 N 0.93 3.69 0.40 1.82 1.01 -1.26 -4.95 121.20 122.83 3h96 s ILE 134 Ca 0.22 0.82 -0.26 0.00 0.00 0.00 0.00 60.65 61.44 3h96 s ILE 134 Cb -0.15 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 3h96 s ILE 134 CO 0.08 -0.13 1.20 -2.84 0.00 0.00 0.00 174.94 173.25 3h96 s PRO 135 N 4.17 4.05 -0.13 2.79 0.02 -1.26 -4.83 135.00 139.81 3h96 s PRO 135 Ca 0.71 1.92 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 3h96 s PRO 135 Cb -0.30 -2.72 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 3h96 s PRO 135 CO 0.28 -0.34 -0.11 0.08 -0.33 0.00 0.00 177.00 176.58 3h96 s VAL 136 N -1.37 3.26 0.02 3.83 1.01 -1.26 -0.41 120.40 125.48 3h96 s VAL 136 Ca 0.57 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3h96 s VAL 136 Cb -0.33 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3h96 s VAL 136 CO 0.41 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 175.16 3h96 s LEU 137 N 0.33 2.93 -0.26 3.92 1.43 -0.47 -0.74 118.68 125.82 3h96 s LEU 137 Ca -0.09 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.62 3h96 s LEU 137 Cb -0.15 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3h96 s LEU 137 CO 0.05 0.27 0.26 0.00 0.23 0.00 0.00 176.35 177.17 3h96 s ALA 138 N -0.96 3.56 -0.38 4.21 0.00 -0.11 -0.44 121.76 127.63 3h96 s ALA 138 Ca 0.16 -0.91 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 3h96 s ALA 138 Cb -0.11 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.50 3h96 s ALA 138 CO 0.06 -0.50 0.22 -0.51 0.00 0.00 0.00 175.76 175.04 3h96 s LEU 139 N 1.69 4.80 -0.20 0.00 1.43 0.66 -2.10 118.68 124.96 3h96 s LEU 139 Ca 0.11 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 3h96 s LEU 139 Cb -0.15 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3h96 s LEU 139 CO 0.09 -0.40 -0.02 -0.89 0.23 0.00 0.00 176.35 175.36 3h96 s THR 140 N 1.57 3.69 0.18 5.49 2.01 -0.36 -1.42 115.64 126.80 3h96 s THR 140 Ca 0.02 -0.40 -0.32 0.00 0.31 0.00 0.00 61.69 61.30 3h96 s THR 140 Cb -0.19 -2.67 -0.12 0.00 0.01 0.00 0.00 72.50 69.53 3h96 s THR 140 CO 0.07 0.43 1.74 -1.14 -0.69 0.00 0.00 174.62 175.03 3h96 n ARG 141 N 4.43 2.70 0.00 4.92 0.63 -0.16 -0.76 116.66 128.41 3h96 n ARG 141 Ca -0.18 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 3h96 n ARG 141 Cb 0.51 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.60 3h96 n ARG 141 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37