#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 0.73 -0.08 -0.67 -0.00 -2.05 -0.89 115.95 113.00 3h96 h TRP 7 Ca 0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.90 3h96 h TRP 7 Cb 0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 28.88 3h96 h TRP 7 CO 0.00 0.57 -0.28 -0.97 -0.00 0.00 0.00 178.44 177.75 3h96 h ASN 8 N 0.68 -0.87 -0.76 2.65 -1.24 -1.99 -0.93 115.58 113.13 3h96 h ASN 8 Ca 0.18 0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 3h96 h ASN 8 Cb 0.10 0.36 -0.03 0.00 0.73 0.00 0.00 38.32 39.48 3h96 h ASN 8 CO -0.02 -0.34 0.35 0.28 -1.29 0.00 0.00 177.43 176.40 3h96 h SER 9 N -0.39 1.00 -0.94 1.15 0.02 -1.90 -1.72 113.55 110.78 3h96 h SER 9 Ca 0.08 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3h96 h SER 9 Cb 0.51 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3h96 h SER 9 CO -0.29 0.87 0.62 1.56 -1.14 0.00 0.00 176.83 178.44 3h96 h GLN 10 N 1.07 1.17 -0.15 3.45 4.20 -0.86 -1.04 115.11 122.95 3h96 h GLN 10 Ca 0.26 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 3h96 h GLN 10 Cb 0.14 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3h96 h GLN 10 CO -0.03 0.77 -0.27 0.28 -0.67 0.00 0.00 178.83 178.91 3h96 h VAL 11 N 1.20 1.36 -0.23 -0.54 2.07 -0.85 -1.71 116.25 117.55 3h96 h VAL 11 Ca 0.36 -1.52 0.03 0.00 0.82 0.00 0.00 66.70 66.39 3h96 h VAL 11 Cb -0.03 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3h96 h VAL 11 CO -0.10 0.45 0.07 0.40 0.02 0.00 0.00 177.57 178.41 3h96 h ILE 12 N 0.06 0.93 -0.77 4.57 2.04 -1.23 -0.22 117.51 122.89 3h96 h ILE 12 Ca 0.01 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3h96 h ILE 12 Cb 0.86 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3h96 h ILE 12 CO 0.06 0.03 0.47 1.56 0.00 0.00 0.00 178.15 180.27 3h96 h GLN 13 N 0.18 0.85 -0.37 2.37 4.20 -1.16 -1.01 115.11 120.17 3h96 h GLN 13 Ca 0.10 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.68 3h96 h GLN 13 Cb 0.08 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3h96 h GLN 13 CO -0.11 0.56 -0.10 1.49 -0.67 0.00 0.00 178.83 180.00 3h96 h GLU 14 N 0.87 0.72 -0.41 1.46 4.81 -0.99 -0.24 114.58 120.80 3h96 h GLU 14 Ca 0.33 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3h96 h GLU 14 Cb 0.13 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3h96 h GLU 14 CO -0.16 0.87 0.16 0.35 -0.73 0.00 0.00 179.01 179.51 3h96 h PHE 15 N 0.52 0.29 -0.03 0.92 3.57 -0.69 0.17 116.94 121.68 3h96 h PHE 15 Ca 0.09 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 3h96 h PHE 15 Cb 0.62 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3h96 h PHE 15 CO 0.05 0.12 -0.68 0.00 -2.23 0.00 0.00 178.31 175.57 3h96 h ARG 16 N 0.33 0.13 0.00 1.11 3.08 -0.83 -0.30 114.38 117.91 3h96 h ARG 16 Ca 0.19 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3h96 h ARG 16 Cb 0.16 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3h96 h ARG 16 CO -0.18 0.76 -0.22 0.00 -1.07 0.00 0.00 179.97 179.26 3h96 n ALA 17 N -2.44 2.72 -2.38 0.04 0.00 -0.13 -4.26 120.51 114.05 3h96 n ALA 17 Ca -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 3h96 n ALA 17 Cb 0.67 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.73 2.12 -0.49 0.00 3.02 0.03 -5.00 115.26 113.21 3h96 n ASN 18 Ca 0.06 -2.67 -0.05 0.00 -0.03 0.00 0.00 54.58 51.89 3h96 n ASN 18 Cb 0.37 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.40 0.46 2.05 7.41 0.00 -1.12 -2.68 105.19 110.90 3h96 n GLY 19 Ca 0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.67 0.48 3.55 -0.02 0.00 -0.14 -4.08 105.19 103.31 3h96 n GLY 20 Ca -0.06 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.09 2.64 0.00 1.61 0.52 -1.09 -4.55 118.95 116.99 3h96 s ARG 21 Ca 0.00 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 3h96 s ARG 21 Cb 0.00 -2.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 3h96 s ARG 21 CO 0.00 0.64 -0.07 0.08 0.02 0.00 0.00 175.30 175.98 3h96 s VAL 22 N -0.81 0.51 0.00 3.52 1.01 -1.26 -4.34 120.40 119.02 3h96 s VAL 22 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3h96 s VAL 22 Cb -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3h96 s VAL 22 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3h96 n GLY 23 N 2.70 0.79 7.00 4.51 0.00 -1.26 -2.20 105.19 116.72 3h96 n GLY 23 Ca -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 2.87 0.34 -0.02 0.00 -1.26 -1.79 105.19 110.33 3h96 n GLY 24 Ca 0.00 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 7.26 0.00 -0.06 1.61 2.35 -2.07 -0.53 115.58 124.14 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 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 3h96 n PHE 26 N -2.81 0.06 -1.62 1.19 3.72 -0.74 -4.97 117.46 112.29 3h96 n PHE 26 Ca -0.01 -0.04 -0.56 0.00 -0.05 0.00 0.00 57.45 56.79 3h96 n PHE 26 Cb 0.59 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.90 0.85 -0.25 -1.08 0.00 -0.21 -1.01 120.64 119.84 3h96 n GLU 27 Ca 0.10 0.31 0.00 0.00 0.00 0.00 0.00 57.16 57.57 3h96 n GLU 27 Cb 0.41 -1.92 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 2.86 1.77 3.86 8.31 0.00 -1.26 -5.00 105.19 115.73 3h96 n GLY 28 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.67 3.40 0.97 4.61 0.00 -0.18 -5.12 121.76 122.77 3h96 s ALA 29 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 3h96 s ALA 29 Cb 0.00 -2.66 0.17 0.00 0.00 0.00 0.00 23.12 20.63 3h96 s ALA 29 CO 0.00 0.35 1.15 -2.14 0.00 0.00 0.00 175.76 175.13 3h96 s PRO 30 N -3.01 0.63 -0.28 0.00 0.02 -1.26 -4.81 135.00 126.27 3h96 s PRO 30 Ca 0.52 0.16 -0.25 0.00 0.02 0.00 0.00 61.00 61.44 3h96 s PRO 30 Cb -0.10 -1.79 0.16 0.00 0.02 0.00 0.00 34.50 32.78 3h96 s PRO 30 CO 0.20 -2.52 1.24 0.54 -0.33 0.00 0.00 177.00 176.13 3h96 s VAL 32 N -3.29 0.00 -0.33 3.83 0.11 -1.26 -1.39 120.40 118.07 3h96 s VAL 32 Ca 0.66 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.58 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 0.54 0.00 0.28 -0.76 -3.33 0.00 0.00 175.10 171.83 3h96 s LEU 33 N 0.01 4.38 -0.30 2.54 1.43 0.42 -4.27 118.68 122.90 3h96 s LEU 33 Ca 0.05 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 3h96 s LEU 33 Cb -0.05 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3h96 s LEU 33 CO -0.10 -0.24 0.22 -0.69 0.23 0.00 0.00 176.35 175.77 3h96 s VAL 34 N 1.85 5.29 -0.08 -1.59 1.01 -0.31 -0.70 120.40 125.87 3h96 s VAL 34 Ca 0.09 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 3h96 s VAL 34 Cb -0.17 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3h96 s VAL 34 CO 0.11 0.16 0.83 -1.00 0.00 0.00 0.00 175.10 175.19 3h96 s HIS 35 N 1.78 3.55 0.22 5.22 3.76 -0.78 -0.91 115.29 128.14 3h96 s HIS 35 Ca 0.08 1.39 -0.00 0.00 -0.15 0.00 0.00 55.06 56.37 3h96 s HIS 35 Cb -0.16 -2.97 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 3h96 s HIS 35 CO 0.11 -0.05 0.12 -3.38 -0.85 0.00 0.00 174.74 170.69 3h96 s HIS 36 N 1.30 1.29 -0.05 1.40 -3.43 -0.07 -4.22 115.29 111.51 3h96 s HIS 36 Ca 0.42 -1.31 0.03 0.00 -0.80 0.00 0.00 55.06 53.40 3h96 s HIS 36 Cb -0.18 -0.68 0.01 0.00 -1.43 0.00 0.00 32.58 30.30 3h96 s HIS 36 CO 0.19 -0.53 -0.14 0.08 -2.00 0.00 0.00 174.74 172.34 3h96 s VAL 37 N -4.02 1.19 0.05 -5.38 1.01 -1.26 -0.91 120.40 111.08 3h96 s VAL 37 Ca 0.38 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3h96 s VAL 37 Cb 0.07 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 3h96 s VAL 37 CO 0.12 0.36 1.90 -0.83 0.00 0.00 0.00 175.10 176.65 3h96 s GLY 38 N 0.39 1.44 0.30 4.51 0.00 -0.11 -4.68 107.32 109.17 3h96 s GLY 38 Ca -0.10 1.30 0.24 0.00 0.00 0.00 0.00 44.72 46.17 3h96 s GLY 38 CO 0.03 3.34 1.72 0.07 0.00 0.00 0.00 173.10 178.26 3h96 h ARG 39 N 10.01 0.00 0.00 2.90 0.11 -1.91 0.23 114.38 125.73 3h96 h ARG 39 Ca -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.55 3h96 h ARG 39 Cb 1.23 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.30 3h96 h ARG 39 CO 0.94 0.00 -1.20 1.63 0.10 0.00 0.00 179.97 181.44 3h96 n LYS 40 N -2.30 2.84 0.00 0.08 5.02 -1.26 -4.80 118.16 117.75 3h96 n LYS 40 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.28 3h96 n LYS 40 Cb 0.15 -1.07 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.21 1.20 -0.94 -0.18 -2.24 -1.11 -4.97 114.28 103.83 3h96 n THR 41 Ca -0.05 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3h96 n THR 41 Cb 0.59 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.46 1.07 3.76 3.38 0.00 0.80 -4.94 105.19 110.73 3h96 n GLY 42 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.02 4.66 0.26 1.61 1.02 -1.26 -4.55 119.74 121.46 3h96 s LYS 43 Ca 0.00 1.28 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 3h96 s LYS 43 Cb 0.00 -3.29 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 3h96 s LYS 43 CO 0.00 0.48 1.33 0.00 -0.92 0.00 0.00 175.35 176.25 3h96 s ALA 44 N -0.91 3.54 0.08 5.17 0.00 -1.26 -0.94 121.76 127.45 3h96 s ALA 44 Ca 0.39 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.56 3h96 s ALA 44 Cb -0.24 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 3h96 s ALA 44 CO 0.28 -0.60 -0.06 0.00 0.00 0.00 0.00 175.76 175.38 3h96 s ALA 45 N -0.38 0.85 -0.07 0.00 0.00 -0.09 -4.96 121.76 117.11 3h96 s ALA 45 Ca 0.54 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.25 3h96 s ALA 45 Cb -0.39 0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3h96 s ALA 45 CO 0.44 -0.23 -0.08 0.08 0.00 0.00 0.00 175.76 175.97 3h96 s VAL 46 N -3.42 0.89 -0.11 0.00 1.01 -1.26 -0.89 120.40 116.62 3h96 s VAL 46 Ca 0.08 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3h96 s VAL 46 Cb 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.56 3h96 s VAL 46 CO -0.05 0.32 -0.13 -0.89 0.00 0.00 0.00 175.10 174.35 3h96 s THR 47 N 1.11 1.34 0.33 3.92 2.01 -0.09 -4.93 115.64 119.33 3h96 s THR 47 Ca -0.07 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 3h96 s THR 47 Cb -0.14 -1.26 -0.10 0.00 0.01 0.00 0.00 72.50 71.01 3h96 s THR 47 CO -0.01 0.41 0.99 -2.16 -0.69 0.00 0.00 174.62 173.16 3h96 s PRO 48 N 1.24 4.51 -0.19 4.92 0.04 -1.26 -1.16 135.00 143.11 3h96 s PRO 48 Ca -0.02 1.45 -0.35 0.00 0.04 0.00 0.00 61.00 62.11 3h96 s PRO 48 Cb -0.14 -2.83 0.15 0.00 0.04 0.00 0.00 34.50 31.72 3h96 s PRO 48 CO -0.05 0.19 1.33 1.52 0.04 0.00 0.00 177.00 180.03 3h96 s TYR 51 N -1.53 -0.05 -0.20 0.56 -0.85 -0.49 -4.97 117.35 109.83 3h96 s TYR 51 Ca 0.50 0.02 -0.01 0.00 -0.52 0.00 0.00 57.07 57.07 3h96 s TYR 51 Cb -0.22 0.51 0.01 0.00 0.38 0.00 0.00 41.96 42.65 3h96 s TYR 51 CO 0.28 -0.11 -0.15 -1.17 -1.52 0.00 0.00 175.55 172.88 3h96 s LEU 52 N -2.37 2.42 0.40 -3.49 2.96 0.21 -4.49 118.68 114.32 3h96 s LEU 52 Ca 0.12 -0.59 -0.26 0.00 -0.22 0.00 0.00 54.13 53.18 3h96 s LEU 52 Cb 0.01 -1.57 -0.09 0.00 0.50 0.00 0.00 46.19 45.05 3h96 s LEU 52 CO -0.04 -0.01 1.28 -2.16 -1.32 0.00 0.00 176.35 174.10 3h96 s PRO 53 N 1.35 3.99 0.27 0.98 0.04 -1.26 -0.49 135.00 139.88 3h96 s PRO 53 Ca 0.05 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3h96 s PRO 53 Cb -0.14 -2.75 -0.11 0.00 0.04 0.00 0.00 34.50 31.54 3h96 s PRO 53 CO -0.10 -0.46 1.50 0.45 0.04 0.00 0.00 177.00 178.44 3h96 s SER 54 N -0.79 6.53 0.00 6.66 0.15 -0.72 -4.87 113.70 120.66 3h96 s SER 54 Ca 0.57 2.79 0.29 0.00 0.70 0.00 0.00 55.95 60.30 3h96 s SER 54 Cb -0.37 -2.63 1.22 0.00 -1.71 0.00 0.00 66.02 62.53 3h96 s SER 54 CO 0.47 -0.79 1.91 0.47 1.20 0.00 0.00 173.24 176.50 3h96 n ASP 55 N 2.23 0.04 -0.04 5.45 10.43 -1.26 -4.20 116.55 129.20 3h96 n ASP 55 Ca 0.07 0.38 -0.04 0.00 2.57 0.00 0.00 54.79 57.77 3h96 n ASP 55 Cb 0.39 -0.42 -0.07 0.00 1.84 0.00 0.00 41.12 42.86 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 -1.47 2.91 -3.51 -2.24 8.00 -1.26 -4.98 116.55 113.99 3h96 n ASP 56 Ca 0.08 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.33 3h96 n ASP 56 Cb 0.33 0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 42.01 3h96 n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h96 s ASP 57 N -4.03 2.61 0.43 -2.24 3.68 -1.26 -5.13 116.67 110.74 3h96 s ASP 57 Ca -0.04 -0.90 -0.23 0.00 2.13 0.00 0.00 52.55 53.50 3h96 s ASP 57 Cb 0.03 -0.03 -0.11 0.00 -1.45 0.00 0.00 42.92 41.36 3h96 s ASP 57 CO 0.35 -0.40 0.91 -2.65 0.13 0.00 0.00 175.17 173.51 3h96 n PRO 58 N 5.28 1.14 0.00 4.34 -0.02 -1.26 -1.94 135.00 142.53 3h96 n PRO 58 Ca -0.05 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3h96 n PRO 58 Cb 0.45 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.32 1.93 3.58 -1.23 0.00 -1.26 -4.96 105.19 104.58 3h96 n GLY 59 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.44 4.37 0.14 2.61 2.01 -0.82 -0.96 115.64 120.55 3h96 s THR 60 Ca 0.00 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 61.90 3h96 s THR 60 Cb 0.00 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 3h96 s THR 60 CO 0.00 0.49 -0.20 0.27 -0.69 0.00 0.00 174.62 174.49 3h96 s ILE 61 N 0.22 1.82 -0.07 1.82 -4.36 -0.22 -1.76 121.20 118.66 3h96 s ILE 61 Ca 0.01 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.62 3h96 s ILE 61 Cb -0.13 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 3h96 s ILE 61 CO 0.02 -0.20 -0.09 -0.31 0.24 0.00 0.00 174.94 174.59 3h96 s TYR 62 N -1.69 2.87 0.24 1.37 2.02 0.36 0.02 117.35 122.53 3h96 s TYR 62 Ca 0.13 -0.08 0.09 0.00 -0.37 0.00 0.00 57.07 56.84 3h96 s TYR 62 Cb -0.07 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.73 3h96 s TYR 62 CO 0.06 0.25 -0.16 0.14 -1.57 0.00 0.00 175.55 174.27 3h96 s VAL 63 N -0.67 2.00 -0.14 0.71 -7.23 -0.32 -0.62 120.40 114.12 3h96 s VAL 63 Ca 0.10 -2.28 0.01 0.00 -1.81 0.00 0.00 61.98 58.00 3h96 s VAL 63 Cb -0.11 -2.16 0.02 0.00 0.56 0.00 0.00 36.38 34.68 3h96 s VAL 63 CO 0.01 -0.51 -0.16 -0.36 -0.31 0.00 0.00 175.10 173.77 3h96 s PHE 64 N -2.81 2.30 -1.18 2.82 0.08 -1.26 -1.06 117.98 116.87 3h96 s PHE 64 Ca 0.26 -1.25 -0.06 0.00 0.12 0.00 0.00 56.93 56.00 3h96 s PHE 64 Cb -0.02 -1.65 0.08 0.00 -0.57 0.00 0.00 43.02 40.86 3h96 s PHE 64 CO 0.10 -0.65 2.54 0.00 -0.10 0.00 0.00 175.22 177.11 3h96 n ALA 65 N 4.54 6.82 0.10 5.36 0.00 0.19 -4.61 120.51 132.91 3h96 n ALA 65 Ca -0.18 -3.80 -0.19 0.00 0.00 0.00 0.00 53.44 49.27 3h96 n ALA 65 Cb 0.50 -2.72 -0.12 0.00 0.00 0.00 0.00 19.45 17.12 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 4.34 0.68 -6.61 0.00 4.64 -1.95 -3.39 113.55 111.26 3h96 h SER 66 Ca 0.66 -0.64 -0.53 0.00 -0.47 0.00 0.00 61.79 60.81 3h96 h SER 66 Cb 0.40 -0.22 -0.15 0.00 -0.31 0.00 0.00 62.40 62.13 3h96 h SER 66 CO 1.38 1.47 -0.82 1.17 -0.87 0.00 0.00 176.83 179.16 3h96 n LYS 67 N -3.70 -3.83 -2.55 4.77 4.81 -1.26 0.17 118.16 116.57 3h96 n LYS 67 Ca -0.11 0.44 -0.11 0.00 -0.87 0.00 0.00 58.31 57.66 3h96 n LYS 67 Cb 0.98 -5.16 -0.00 0.00 0.02 0.00 0.00 35.03 30.86 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 -4.47 -0.85 -1.29 3.14 0.00 -1.26 -1.71 120.51 114.07 3h96 n ALA 68 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 3h96 n ALA 68 Cb 0.52 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.78 0.45 3.75 0.00 0.00 0.13 -4.87 105.19 103.87 3h96 n GLY 69 Ca -0.10 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.06 1.48 0.33 4.61 0.00 -0.69 -4.40 121.76 121.03 3h96 s ALA 70 Ca 0.00 -0.72 0.17 0.00 0.00 0.00 0.00 51.96 51.41 3h96 s ALA 70 Cb 0.00 -2.96 0.88 0.00 0.00 0.00 0.00 23.12 21.03 3h96 s ALA 70 CO 0.00 -2.68 1.86 0.00 0.00 0.00 0.00 175.76 174.94 3h96 h ALA 71 N -1.82 1.27 -3.68 0.00 0.00 -1.93 -3.45 119.26 109.66 3h96 h ALA 71 Ca -0.49 -0.29 -0.67 0.00 0.00 0.00 0.00 54.91 53.46 3h96 h ALA 71 Cb 1.31 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.87 3h96 h ALA 71 CO 0.51 0.39 -0.78 -1.12 0.00 0.00 0.00 179.25 178.26 3h96 s SER 72 N -6.65 4.08 0.60 0.00 0.01 -1.26 -4.77 113.70 105.72 3h96 s SER 72 Ca -0.02 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 56.56 3h96 s SER 72 Cb 0.13 -0.67 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 3h96 s SER 72 CO 0.68 0.19 1.32 0.20 0.41 0.00 0.00 173.24 176.04 3h96 s ASN 73 N -2.10 4.94 0.64 2.44 0.01 -1.26 -4.88 114.94 114.73 3h96 s ASN 73 Ca 0.19 2.69 -0.13 0.00 -0.71 0.00 0.00 52.86 54.90 3h96 s ASN 73 Cb -0.11 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 3h96 s ASN 73 CO 0.11 -1.79 1.05 -2.16 -1.51 0.00 0.00 177.10 172.80 3h96 s PRO 74 N -3.15 3.21 0.28 -0.60 0.04 -1.26 -4.94 135.00 128.57 3h96 s PRO 74 Ca 0.77 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.84 3h96 s PRO 74 Cb -0.39 -2.03 0.59 0.00 0.04 0.00 0.00 34.50 32.72 3h96 s PRO 74 CO 0.43 -0.88 1.80 0.00 0.04 0.00 0.00 177.00 178.39 3h96 h ALA 75 N -0.16 1.47 -0.29 8.56 0.00 -2.01 -2.31 119.26 124.52 3h96 h ALA 75 Ca -0.45 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h96 h ALA 75 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3h96 h ALA 75 CO 0.58 0.05 0.17 0.11 0.00 0.00 0.00 179.25 180.16 3h96 h TRP 76 N 0.81 0.37 0.36 0.00 5.08 -1.99 -1.50 115.95 119.09 3h96 h TRP 76 Ca 0.51 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.47 3h96 h TRP 76 Cb 0.65 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.68 3h96 h TRP 76 CO -0.03 0.25 -0.20 -0.92 -1.28 0.00 0.00 178.44 176.25 3h96 h TYR 77 N 0.39 -0.53 -0.71 0.12 3.20 -1.80 0.44 116.97 118.09 3h96 h TYR 77 Ca 0.10 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3h96 h TYR 77 Cb -0.02 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3h96 h TYR 77 CO 0.00 -0.32 0.36 1.88 -1.64 0.00 0.00 178.16 178.44 3h96 h TYR 78 N -0.53 0.98 -0.48 -3.82 0.05 -1.47 -1.68 116.97 110.01 3h96 h TYR 78 Ca -0.04 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 3h96 h TYR 78 Cb 0.43 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3h96 h TYR 78 CO -0.08 0.70 0.11 -0.91 -1.05 0.00 0.00 178.16 176.92 3h96 h ASN 79 N 0.99 0.74 -0.28 3.88 2.35 -0.94 -0.61 115.58 121.72 3h96 h ASN 79 Ca 0.25 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3h96 h ASN 79 Cb 0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3h96 h ASN 79 CO -0.04 0.79 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.46 3h96 h LEU 80 N 0.66 0.49 -1.05 1.61 3.38 -0.65 -1.60 115.31 118.14 3h96 h LEU 80 Ca 0.15 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3h96 h LEU 80 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3h96 h LEU 80 CO 0.00 0.69 -0.36 0.71 0.09 0.00 0.00 178.44 179.57 3h96 h THR 81 N 0.27 0.90 -0.15 0.22 1.35 -1.20 0.12 112.91 114.41 3h96 h THR 81 Ca 0.08 -1.42 -0.10 0.00 -0.55 0.00 0.00 66.41 64.42 3h96 h THR 81 Cb 0.44 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3h96 h THR 81 CO 0.02 0.35 -0.28 0.74 -0.25 0.00 0.00 175.52 176.09 3h96 h THR 82 N 0.00 1.36 -0.10 6.82 2.02 -1.04 -3.29 112.91 118.68 3h96 h THR 82 Ca -0.00 -1.53 -0.22 0.00 0.77 0.00 0.00 66.41 65.43 3h96 h THR 82 Cb 0.83 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3h96 h THR 82 CO 0.05 0.46 -0.80 0.00 0.37 0.00 0.00 175.52 175.59 3h96 h ALA 83 N 0.56 0.39 0.00 6.16 0.00 -1.01 -3.47 119.26 121.89 3h96 h ALA 83 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3h96 h ALA 83 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3h96 h ALA 83 CO 0.06 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.44 3h96 n GLY 84 N 0.71 2.98 3.30 0.00 0.00 0.39 -4.95 105.19 107.62 3h96 n GLY 84 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.70 0.01 0.15 2.61 -4.23 -1.26 -1.13 115.64 110.09 3h96 s THR 85 Ca 0.00 -1.79 -0.25 0.00 -1.18 0.00 0.00 61.69 58.47 3h96 s THR 85 Cb 0.00 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.57 3h96 s THR 85 CO 0.00 -0.07 0.89 0.00 -0.54 0.00 0.00 174.62 174.91 3h96 s ALA 86 N -4.10 -1.62 -0.14 3.99 0.00 -0.17 -4.90 121.76 114.82 3h96 s ALA 86 Ca 0.32 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.43 3h96 s ALA 86 Cb 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.77 3h96 s ALA 86 CO 0.09 -0.97 0.14 -1.14 0.00 0.00 0.00 175.76 173.89 3h96 s GLN 87 N -3.38 3.68 0.18 0.00 2.00 -1.26 0.18 119.66 121.06 3h96 s GLN 87 Ca 0.10 -0.15 0.06 0.00 -2.00 0.00 0.00 55.36 53.37 3h96 s GLN 87 Cb -0.02 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.48 3h96 s GLN 87 CO 0.00 0.63 -0.13 0.14 -0.50 0.00 0.00 175.29 175.44 3h96 s VAL 88 N -0.59 1.47 -0.16 1.34 -7.23 0.15 -1.86 120.40 113.52 3h96 s VAL 88 Ca 0.13 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 3h96 s VAL 88 Cb -0.12 -1.94 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 3h96 s VAL 88 CO 0.02 -0.66 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.40 3h96 s GLU 89 N -3.66 3.21 -0.05 4.82 2.02 0.12 -1.50 118.70 123.66 3h96 s GLU 89 Ca 0.19 -0.75 -0.00 0.00 0.02 0.00 0.00 54.97 54.43 3h96 s GLU 89 Cb 0.01 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.61 3h96 s GLU 89 CO 0.04 -0.01 -0.01 0.08 0.02 0.00 0.00 175.26 175.38 3h96 s VAL 90 N 0.89 0.34 0.00 2.63 1.01 -0.76 -0.44 120.40 124.08 3h96 s VAL 90 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3h96 s VAL 90 Cb -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3h96 s VAL 90 CO -0.01 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.92 3h96 n GLY 91 N 4.66 2.73 0.26 4.51 0.00 -1.26 -1.02 105.19 115.08 3h96 n GLY 91 Ca -0.16 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -3.74 2.61 -2.24 -1.26 -2.97 114.28 106.69 3h96 n THR 92 Ca 0.00 -0.14 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 3h96 n THR 92 Cb 0.00 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.50 2.81 -0.04 -0.78 2.02 -0.18 -5.07 118.70 114.95 3h96 s GLU 93 Ca 0.24 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 54.00 3h96 s GLU 93 Cb 0.19 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.89 3h96 s GLU 93 CO 0.53 0.09 -0.05 0.99 0.02 0.00 0.00 175.26 176.83 3h96 s THR 94 N -2.28 0.56 0.17 3.63 2.01 -1.26 -1.82 115.64 116.65 3h96 s THR 94 Ca 0.42 -0.14 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 3h96 s THR 94 Cb -0.07 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.89 3h96 s THR 94 CO 0.28 0.23 0.44 -0.72 -0.69 0.00 0.00 174.62 174.16 3h96 s TYR 95 N 0.86 -0.06 0.37 4.92 -0.85 -0.56 -4.97 117.35 117.06 3h96 s TYR 95 Ca -0.12 -0.28 -0.22 0.00 -0.52 0.00 0.00 57.07 55.93 3h96 s TYR 95 Cb -0.14 0.27 -0.10 0.00 0.38 0.00 0.00 41.96 42.37 3h96 s TYR 95 CO 0.01 -0.81 0.92 0.00 -1.52 0.00 0.00 175.55 174.14 3h96 s ALA 96 N -3.87 3.14 0.06 9.51 0.00 -1.26 -0.67 121.76 128.67 3h96 s ALA 96 Ca 0.08 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.50 3h96 s ALA 96 Cb 0.01 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3h96 s ALA 96 CO -0.05 0.17 -0.13 0.14 0.00 0.00 0.00 175.76 175.89 3h96 s VAL 97 N -1.92 1.00 0.27 0.00 -7.23 0.13 -1.49 120.40 111.16 3h96 s VAL 97 Ca 0.56 -1.18 -0.16 0.00 -1.81 0.00 0.00 61.98 59.39 3h96 s VAL 97 Cb -0.13 -0.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.76 3h96 s VAL 97 CO 0.18 -0.19 0.70 -0.83 -0.31 0.00 0.00 175.10 174.65 3h96 s GLY 98 N -1.55 2.42 -0.14 2.32 0.00 0.27 -1.00 107.32 109.65 3h96 s GLY 98 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3h96 s GLY 98 CO 0.02 0.29 -0.15 0.14 0.00 0.00 0.00 173.10 173.40 3h96 s VAL 99 N -1.79 2.78 0.03 1.40 1.01 -0.28 -0.91 120.40 122.64 3h96 s VAL 99 Ca 0.49 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3h96 s VAL 99 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3h96 s VAL 99 CO 0.19 0.52 -0.07 0.42 0.00 0.00 0.00 175.10 176.16 3h96 s THR 100 N 0.58 0.46 -0.01 3.92 -4.23 -0.68 -4.84 115.64 110.84 3h96 s THR 100 Ca -0.09 -0.90 -0.15 0.00 -1.18 0.00 0.00 61.69 59.36 3h96 s THR 100 Cb -0.16 -0.52 -0.06 0.00 1.34 0.00 0.00 72.50 73.11 3h96 s THR 100 CO 0.03 -0.31 0.42 -0.70 -0.54 0.00 0.00 174.62 173.53 3h96 s GLU 101 N -1.30 3.99 -0.14 3.99 2.12 -1.26 -0.09 118.70 126.00 3h96 s GLU 101 Ca -0.09 0.43 -0.09 0.00 0.36 0.00 0.00 54.97 55.59 3h96 s GLU 101 Cb -0.09 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 3h96 s GLU 101 CO 0.00 0.63 0.16 0.08 -0.54 0.00 0.00 175.26 175.58 3h96 s VAL 102 N -0.88 5.45 0.33 3.70 1.01 -0.46 -4.89 120.40 124.65 3h96 s VAL 102 Ca 0.24 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.50 3h96 s VAL 102 Cb -0.17 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3h96 s VAL 102 CO 0.13 0.55 0.11 0.42 0.00 0.00 0.00 175.10 176.32 3h96 s THR 103 N -0.54 0.68 0.00 3.92 -4.23 -1.26 -4.28 115.64 109.92 3h96 s THR 103 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 3h96 s THR 103 Cb -0.12 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3h96 s THR 103 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3h96 n GLY 104 N -0.67 1.93 0.36 3.99 0.00 -1.26 -2.74 105.19 106.79 3h96 n GLY 104 Ca -0.02 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.45 3h96 n GLY 104 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h96 h GLU 105 N 0.00 1.01 -0.68 1.61 4.81 -1.99 -2.13 114.58 117.21 3h96 h GLU 105 Ca 0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3h96 h GLU 105 Cb 0.00 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3h96 h GLU 105 CO 0.00 0.67 0.21 -0.44 -0.73 0.00 0.00 179.01 178.71 3h96 h ASP 106 N 1.04 0.98 0.12 1.04 3.45 -1.97 -1.23 116.42 119.84 3h96 h ASP 106 Ca 0.31 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 3h96 h ASP 106 Cb -0.04 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.47 3h96 h ASP 106 CO -0.08 0.91 -0.06 -0.09 -1.57 0.00 0.00 179.24 178.36 3h96 h ARG 107 N 1.01 -0.15 -0.16 3.56 2.43 -1.21 -2.26 114.38 117.60 3h96 h ARG 107 Ca 0.22 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 3h96 h ARG 107 Cb 0.29 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3h96 h ARG 107 CO -0.01 -0.02 -0.12 -0.44 -1.51 0.00 0.00 179.97 177.88 3h96 h ASP 108 N -0.25 0.23 -0.09 -3.80 3.32 -1.24 0.11 116.42 114.70 3h96 h ASP 108 Ca -0.02 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3h96 h ASP 108 Cb 0.21 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h96 h ASP 108 CO 0.03 0.38 -0.07 -0.09 -1.72 0.00 0.00 179.24 177.77 3h96 h ARG 109 N 0.24 0.21 -0.50 3.56 2.43 -1.01 -1.52 114.38 117.79 3h96 h ARG 109 Ca 0.05 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 3h96 h ARG 109 Cb 0.36 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3h96 h ARG 109 CO 0.02 0.61 0.06 0.82 -1.51 0.00 0.00 179.97 179.97 3h96 h ILE 110 N -0.18 1.25 -0.59 1.20 2.04 -0.91 -1.98 117.51 118.34 3h96 h ILE 110 Ca 0.02 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 64.99 3h96 h ILE 110 Cb 0.56 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3h96 h ILE 110 CO 0.02 0.34 0.26 0.22 0.00 0.00 0.00 178.15 178.99 3h96 h TYR 111 N 0.71 0.47 -0.83 1.37 5.03 -0.80 -0.97 116.97 121.96 3h96 h TYR 111 Ca 0.15 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 3h96 h TYR 111 Cb 0.42 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.54 3h96 h TYR 111 CO 0.03 0.18 0.51 0.77 -1.32 0.00 0.00 178.16 178.32 3h96 h SER 112 N 0.48 1.00 -0.17 -2.11 0.02 -0.87 0.10 113.55 112.00 3h96 h SER 112 Ca 0.28 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3h96 h SER 112 Cb 0.27 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 3h96 h SER 112 CO -0.24 0.77 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.12 3h96 h GLU 113 N 1.14 0.31 -0.74 3.45 4.57 -1.04 0.11 114.58 122.38 3h96 h GLU 113 Ca 0.30 -0.11 0.11 0.00 -1.18 0.00 0.00 59.36 58.48 3h96 h GLU 113 Cb -0.05 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.44 3h96 h GLU 113 CO -0.06 0.55 0.35 0.37 -1.18 0.00 0.00 179.01 179.05 3h96 h GLN 114 N 0.04 0.56 0.00 1.92 5.75 -0.72 -1.98 115.11 120.67 3h96 h GLN 114 Ca 0.05 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 3h96 h GLN 114 Cb 0.42 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3h96 h GLN 114 CO 0.01 0.37 -0.49 0.00 -2.65 0.00 0.00 178.83 176.07 3h96 h ALA 115 N 1.47 1.16 -0.58 3.38 0.00 -0.62 0.57 119.26 124.65 3h96 h ALA 115 Ca 0.38 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3h96 h ALA 115 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3h96 h ALA 115 CO -0.31 0.61 0.02 -0.09 0.00 0.00 0.00 179.25 179.48 3h96 h ARG 116 N 0.00 0.98 0.07 0.00 2.43 -0.32 -1.94 114.38 115.60 3h96 h ARG 116 Ca -0.00 -0.29 -0.25 0.00 -0.81 0.00 0.00 59.98 58.63 3h96 h ARG 116 Cb 0.88 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3h96 h ARG 116 CO 0.06 0.96 -1.10 0.00 -1.51 0.00 0.00 179.97 178.39 3h96 h ARG 117 N 0.91 0.31 -2.67 0.20 3.08 -0.78 -3.41 114.38 112.02 3h96 h ARG 117 Ca 0.17 -0.42 -0.59 0.00 0.07 0.00 0.00 59.98 59.21 3h96 h ARG 117 Cb 0.50 0.14 -0.39 0.00 0.08 0.00 0.00 29.97 30.30 3h96 h ARG 117 CO 0.02 1.15 -0.83 0.71 -1.07 0.00 0.00 179.97 179.95 3h96 s TYR 118 N -2.93 1.09 -1.36 3.04 1.51 0.14 -5.02 117.35 113.83 3h96 s TYR 118 Ca -0.04 -1.89 0.08 0.00 -1.01 0.00 0.00 57.07 54.21 3h96 s TYR 118 Cb 0.08 -1.18 0.41 0.00 -0.11 0.00 0.00 41.96 41.16 3h96 s TYR 118 CO 0.87 -0.81 1.16 -2.30 -1.11 0.00 0.00 175.55 173.35 3h96 n PRO 119 N 3.81 0.10 0.01 -1.71 -0.02 -0.74 -1.05 135.00 135.39 3h96 n PRO 119 Ca 0.13 0.23 0.14 0.00 -2.02 0.00 0.00 63.50 61.98 3h96 n PRO 119 Cb 0.37 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 32.94 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 1.38 0.27 2.00 -1.23 0.00 -1.94 0.73 103.07 104.28 3h96 h GLY 120 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 3h96 h GLY 120 CO 0.00 0.05 -0.31 0.74 0.00 0.00 0.00 176.54 177.02 3h96 h PHE 121 N 0.20 0.00 -0.42 5.60 0.04 -1.39 -1.27 116.94 119.70 3h96 h PHE 121 Ca 0.22 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 3h96 h PHE 121 Cb 0.61 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 3h96 h PHE 121 CO -0.00 0.31 -0.13 0.00 -0.60 0.00 0.00 178.31 177.90 3h96 h ALA 122 N 1.69 0.99 -0.74 2.45 0.00 -1.04 -2.46 119.26 120.15 3h96 h ALA 122 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3h96 h ALA 122 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3h96 h ALA 122 CO 0.04 0.60 0.31 0.22 0.00 0.00 0.00 179.25 180.42 3h96 h ASP 123 N 0.69 1.01 -0.34 0.00 3.58 -1.13 -2.15 116.42 118.07 3h96 h ASP 123 Ca 0.11 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 3h96 h ASP 123 Cb 0.60 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 3h96 h ASP 123 CO 0.04 0.90 0.14 1.88 -2.88 0.00 0.00 179.24 179.32 3h96 h TYR 124 N 1.06 0.58 -0.06 0.28 0.05 -0.92 -0.30 116.97 117.67 3h96 h TYR 124 Ca 0.25 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 3h96 h TYR 124 Cb 0.19 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 3h96 h TYR 124 CO 0.02 0.47 -0.06 1.49 -1.05 0.00 0.00 178.16 179.03 3h96 h GLU 125 N 0.57 0.14 -0.75 4.88 4.57 -1.25 -2.23 114.58 120.51 3h96 h GLU 125 Ca 0.14 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 3h96 h GLU 125 Cb 0.15 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 3h96 h GLU 125 CO -0.01 0.59 0.43 0.87 -1.18 0.00 0.00 179.01 179.70 3h96 h LYS 126 N -0.31 0.73 0.00 1.92 1.57 -1.13 -2.08 116.57 117.27 3h96 h LYS 126 Ca 0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3h96 h LYS 126 Cb 0.56 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3h96 h LYS 126 CO 0.01 0.48 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.03 3h96 h LYS 127 N 0.75 0.00 -0.03 3.15 3.64 -0.90 -2.94 116.57 120.24 3h96 h LYS 127 Ca 0.35 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3h96 h LYS 127 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3h96 h LYS 127 CO -0.21 0.12 0.00 0.25 -2.27 0.00 0.00 179.45 177.34 3h96 n THR 128 N -3.74 0.02 -1.66 1.00 -2.24 -0.85 -4.95 114.28 101.85 3h96 n THR 128 Ca -0.02 -0.51 -0.53 0.00 -2.27 0.00 0.00 64.05 60.72 3h96 n THR 128 Cb 0.23 1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.03 -0.09 -0.98 6.98 0.00 -0.82 -0.75 120.51 125.87 3h96 n ALA 129 Ca 0.11 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3h96 n ALA 129 Cb 0.46 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 3.60 0.60 1.22 0.00 0.00 -1.26 -4.81 105.19 104.54 3h96 n GLY 130 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.62 0.70 -3.57 -0.61 5.41 0.07 -5.11 119.36 113.64 3h96 n ILE 131 Ca 0.00 0.23 -0.17 0.00 1.00 0.00 0.00 62.75 63.81 3h96 n ILE 131 Cb 0.03 -1.36 -0.07 0.00 -0.71 0.00 0.00 39.64 37.54 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 -2.00 0.97 -0.10 0.38 1.70 -0.55 -5.09 118.95 114.27 3h96 s ARG 132 Ca 0.00 0.28 -0.24 0.00 -0.47 0.00 0.00 55.73 55.30 3h96 s ARG 132 Cb 0.00 0.46 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 3h96 s ARG 132 CO 0.00 -0.28 0.73 0.99 -1.08 0.00 0.00 175.30 175.66 3h96 s THR 133 N -1.03 5.00 -0.05 4.99 2.01 -1.26 -4.54 115.64 120.77 3h96 s THR 133 Ca -0.10 1.48 -0.30 0.00 0.31 0.00 0.00 61.69 63.08 3h96 s THR 133 Cb -0.01 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 3h96 s THR 133 CO 0.08 0.19 1.54 -0.63 -0.69 0.00 0.00 174.62 175.11 3h96 s ILE 134 N 1.19 3.66 0.45 1.82 1.01 -1.26 -4.97 121.20 123.11 3h96 s ILE 134 Ca 0.37 0.89 -0.24 0.00 0.00 0.00 0.00 60.65 61.68 3h96 s ILE 134 Cb -0.17 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 3h96 s ILE 134 CO 0.17 -0.06 1.21 -2.84 0.00 0.00 0.00 174.94 173.42 3h96 s PRO 135 N 3.50 3.77 -0.12 2.79 0.02 -1.26 -4.84 135.00 138.85 3h96 s PRO 135 Ca 0.69 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.62 3h96 s PRO 135 Cb -0.32 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.72 3h96 s PRO 135 CO 0.27 -0.58 -0.21 0.08 -0.33 0.00 0.00 177.00 176.23 3h96 s VAL 136 N -1.45 2.29 0.01 3.83 1.01 -1.26 -0.64 120.40 124.18 3h96 s VAL 136 Ca 0.62 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3h96 s VAL 136 Cb -0.32 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3h96 s VAL 136 CO 0.39 0.55 -0.07 -0.76 0.00 0.00 0.00 175.10 175.21 3h96 s LEU 137 N 0.54 3.16 -0.24 3.92 1.43 -0.22 -1.36 118.68 125.91 3h96 s LEU 137 Ca -0.13 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 3h96 s LEU 137 Cb -0.17 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3h96 s LEU 137 CO 0.04 0.28 0.40 0.00 0.23 0.00 0.00 176.35 177.30 3h96 s ALA 138 N -1.00 3.57 -0.31 4.21 0.00 0.87 -1.18 121.76 127.93 3h96 s ALA 138 Ca 0.17 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 3h96 s ALA 138 Cb -0.11 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.33 3h96 s ALA 138 CO 0.08 -0.53 0.09 -0.51 0.00 0.00 0.00 175.76 174.89 3h96 s LEU 139 N 1.81 4.03 -0.24 0.00 1.43 0.10 -1.69 118.68 124.12 3h96 s LEU 139 Ca 0.17 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.35 3h96 s LEU 139 Cb -0.15 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3h96 s LEU 139 CO 0.09 -0.24 0.00 -0.89 0.23 0.00 0.00 176.35 175.54 3h96 s THR 140 N 1.47 3.63 0.24 5.49 2.01 -0.09 -1.05 115.64 127.34 3h96 s THR 140 Ca 0.01 -0.52 -0.31 0.00 0.31 0.00 0.00 61.69 61.18 3h96 s THR 140 Cb -0.18 -2.73 -0.11 0.00 0.01 0.00 0.00 72.50 69.49 3h96 s THR 140 CO 0.03 0.31 1.64 -0.60 -0.69 0.00 0.00 174.62 175.31 3h96 s ARG 141 N 1.50 4.13 0.00 4.92 3.52 -0.14 -0.56 118.95 132.32 3h96 s ARG 141 Ca 0.05 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 3h96 s ARG 141 Cb -0.15 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3h96 s ARG 141 CO -0.01 -0.68 0.23 0.25 -0.81 0.00 0.00 175.30 174.28