#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nye s THR 22 N 0.00 0.21 -0.06 3.17 -1.32 -1.26 -5.14 115.64 111.25 1nye s THR 22 Ca 0.00 -0.32 -0.26 0.00 -1.21 0.00 0.00 61.69 59.90 1nye s THR 22 Cb 0.00 -0.22 -0.03 0.00 -1.51 0.00 0.00 72.50 70.73 1nye s THR 22 CO 0.00 -0.07 0.81 -0.63 -2.21 0.00 0.00 174.62 172.52 1nye s ILE 23 N -0.39 4.96 -0.10 5.08 1.01 -1.26 -5.06 121.20 125.44 1nye s ILE 23 Ca -0.03 1.68 0.03 0.00 0.00 0.00 0.00 60.65 62.33 1nye s ILE 23 Cb -0.03 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1nye s ILE 23 CO -0.00 0.19 -0.18 -1.00 0.00 0.00 0.00 174.94 173.95 1nye s HIS 24 N 1.05 2.14 -0.02 3.97 3.76 -1.26 -5.13 115.29 119.80 1nye s HIS 24 Ca 0.43 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1nye s HIS 24 Cb -0.19 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.01 1nye s HIS 24 CO 0.21 -0.44 -0.09 0.15 -0.85 0.00 0.00 174.74 173.72 1nye s LYS 25 N 0.72 0.91 0.21 1.40 3.01 -1.26 -5.15 119.74 119.58 1nye s LYS 25 Ca -0.12 -0.30 0.09 0.00 -1.01 0.00 0.00 55.97 54.64 1nye s LYS 25 Cb -0.16 -0.86 -0.04 0.00 -1.01 0.00 0.00 37.83 35.76 1nye s LYS 25 CO 0.02 0.12 -0.06 0.15 0.51 0.00 0.00 175.35 176.09 1nye s LYS 26 N 0.16 2.15 0.08 1.68 1.02 -1.26 -5.09 119.74 118.49 1nye s LYS 26 Ca -0.02 -1.33 0.04 0.00 0.02 0.00 0.00 55.97 54.67 1nye s LYS 26 Cb -0.08 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1nye s LYS 26 CO 0.00 0.41 -0.11 0.20 -0.92 0.00 0.00 175.35 174.94 1nye s GLY 27 N -3.16 0.80 0.11 -3.33 0.00 -1.26 -2.77 107.32 97.70 1nye s GLY 27 Ca 0.28 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1nye s GLY 27 CO 0.17 -1.16 -0.02 1.62 0.00 0.00 0.00 173.10 173.71 1nye s GLN 28 N -2.42 0.84 0.11 2.90 0.74 -0.35 -4.97 119.66 116.50 1nye s GLN 28 Ca 0.02 -1.36 -0.20 0.00 0.05 0.00 0.00 55.36 53.87 1nye s GLN 28 Cb -0.05 -0.03 0.05 0.00 1.10 0.00 0.00 33.01 34.08 1nye s GLN 28 CO 0.00 -0.11 0.49 0.00 -0.55 0.00 0.00 175.29 175.13 1nye s ALA 29 N -3.78 -1.23 -0.01 1.58 0.00 -1.26 0.19 121.76 117.24 1nye s ALA 29 Ca 0.15 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1nye s ALA 29 Cb 0.07 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1nye s ALA 29 CO -0.03 -0.62 -0.04 -1.58 0.00 0.00 0.00 175.76 173.48 1nye s HIS 30 N -3.30 0.44 -0.02 0.00 2.46 0.91 -4.97 115.29 110.81 1nye s HIS 30 Ca -0.01 -0.08 0.01 0.00 0.47 0.00 0.00 55.06 55.45 1nye s HIS 30 Cb 0.00 -0.32 0.01 0.00 -0.13 0.00 0.00 32.58 32.14 1nye s HIS 30 CO -0.09 -0.04 -0.03 -0.46 -2.47 0.00 0.00 174.74 171.66 1nye s TRP 31 N 0.11 0.43 -0.08 3.88 -0.11 -1.26 -0.54 118.94 121.37 1nye s TRP 31 Ca -0.01 -0.07 0.02 0.00 1.22 0.00 0.00 56.10 57.26 1nye s TRP 31 Cb -0.04 -0.40 0.01 0.00 -1.50 0.00 0.00 33.47 31.54 1nye s TRP 31 CO -0.00 -0.09 -0.14 -1.21 -4.62 0.00 0.00 176.95 170.88 1nye s GLU 32 N 0.55 1.97 2.29 5.86 2.02 -0.60 -5.03 118.70 125.76 1nye s GLU 32 Ca -0.06 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.44 1nye s GLU 32 Cb -0.09 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.51 1nye s GLU 32 CO -0.01 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1nye n GLY 33 N 3.92 -1.00 3.56 -1.39 0.00 -1.26 -2.22 105.19 106.80 1nye n GLY 33 Ca -0.21 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 1nye n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nye n ASP 34 N -0.33 -0.51 0.22 1.61 -0.08 -1.26 -4.62 116.55 111.58 1nye n ASP 34 Ca 0.00 0.45 -0.09 0.00 -1.51 0.00 0.00 54.79 53.64 1nye n ASP 34 Cb 0.00 -1.36 -0.04 0.00 2.34 0.00 0.00 41.12 42.05 1nye n ASP 34 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nye h ILE 35 N -1.39 0.00 -0.01 5.18 1.08 -1.93 0.95 117.51 121.39 1nye h ILE 35 Ca -0.44 -0.13 -0.15 0.00 -0.39 0.00 0.00 64.86 63.75 1nye h ILE 35 Cb 1.29 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1nye h ILE 35 CO 0.40 0.00 -0.70 0.50 -0.69 0.00 0.00 178.15 177.66 1nye h LYS 36 N -0.71 0.08 0.05 2.37 3.11 -1.98 -3.34 116.57 116.15 1nye h LYS 36 Ca -0.06 -0.06 -0.34 0.00 -2.81 0.00 0.00 60.65 57.38 1nye h LYS 36 Cb 0.44 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.65 1nye h LYS 36 CO 0.10 0.75 -1.95 -2.13 -2.81 0.00 0.00 179.45 173.40 1nye n ARG 37 N -3.74 0.69 -0.82 1.90 3.00 -1.25 -4.86 116.66 111.59 1nye n ARG 37 Ca -0.02 0.24 -0.31 0.00 -0.00 0.00 0.00 57.85 57.77 1nye n ARG 37 Cb 0.69 -1.71 0.16 0.00 0.00 0.00 0.00 32.46 31.60 1nye n ARG 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nye s GLY 38 N -5.45 1.66 0.14 5.14 0.00 0.33 -4.81 107.32 104.33 1nye s GLY 38 Ca -0.15 0.38 0.09 0.00 0.00 0.00 0.00 44.72 45.04 1nye s GLY 38 CO 0.78 0.83 -0.17 0.54 0.00 0.00 0.00 173.10 175.09 1nye s LYS 39 N -4.69 1.82 0.15 2.90 -0.14 -0.94 -4.71 119.74 114.13 1nye s LYS 39 Ca 0.66 -1.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.06 1nye s LYS 39 Cb -0.22 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 33.79 1nye s LYS 39 CO 0.58 0.46 -0.04 0.20 -0.76 0.00 0.00 175.35 175.80 1nye s GLY 40 N -2.36 1.10 -0.01 -3.33 0.00 -0.77 -1.56 107.32 100.39 1nye s GLY 40 Ca 0.20 -1.52 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 1nye s GLY 40 CO 0.11 -1.54 0.02 -0.51 0.00 0.00 0.00 173.10 171.19 1nye s THR 41 N -3.55 0.02 -0.03 0.90 -4.23 0.30 -1.47 115.64 107.56 1nye s THR 41 Ca 0.20 -0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.63 1nye s THR 41 Cb 0.05 -0.09 -0.01 0.00 1.34 0.00 0.00 72.50 73.79 1nye s THR 41 CO 0.01 -0.07 -0.22 0.68 -0.54 0.00 0.00 174.62 174.48 1nye s VAL 42 N -0.21 1.78 0.31 2.29 -7.23 -0.02 -0.06 120.40 117.25 1nye s VAL 42 Ca -0.02 -0.94 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 1nye s VAL 42 Cb -0.02 -1.49 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 1nye s VAL 42 CO -0.00 0.50 0.03 -0.44 -0.31 0.00 0.00 175.10 174.88 1nye s SER 43 N -0.30 2.45 0.10 4.85 0.01 0.13 -2.72 113.70 118.22 1nye s SER 43 Ca 0.02 -1.32 0.05 0.00 1.31 0.00 0.00 55.95 56.01 1nye s SER 43 Cb -0.11 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 1nye s SER 43 CO 0.01 -0.54 -0.13 -0.89 0.41 0.00 0.00 173.24 172.10 1nye s THR 44 N -3.23 1.19 -0.32 1.44 2.01 -0.12 -1.21 115.64 115.39 1nye s THR 44 Ca 0.34 -1.57 0.21 0.00 0.31 0.00 0.00 61.69 60.99 1nye s THR 44 Cb 0.07 -1.35 0.27 0.00 0.01 0.00 0.00 72.50 71.50 1nye s THR 44 CO 0.14 -0.38 1.59 1.05 -0.69 0.00 0.00 174.62 176.34 1nye h GLU 45 N 3.78 0.00 0.00 4.92 4.11 -1.83 -3.08 114.58 122.49 1nye h GLU 45 Ca -0.40 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.00 1nye h GLU 45 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1nye h GLU 45 CO 0.47 0.14 -0.14 0.66 0.07 0.00 0.00 179.01 180.21 1nye h SER 46 N 0.00 0.00 0.00 3.06 4.64 -1.92 -3.48 113.55 115.85 1nye h SER 46 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nye h SER 46 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1nye h SER 46 CO 0.02 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1nye n GLY 47 N 1.03 3.09 0.36 -0.77 0.00 -1.16 -4.91 105.19 102.83 1nye n GLY 47 Ca 0.03 -0.98 0.26 0.00 0.00 0.00 0.00 46.02 45.33 1nye n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nye n VAL 48 N 0.00 0.00 -3.92 1.61 0.31 -1.26 -2.62 118.33 112.45 1nye n VAL 48 Ca 0.00 0.76 -0.29 0.00 -0.01 0.00 0.00 64.34 64.79 1nye n VAL 48 Cb 0.00 -1.28 -0.16 0.00 -0.91 0.00 0.00 33.84 31.49 1nye n VAL 48 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1nye s LEU 49 N -5.74 2.03 0.00 7.52 1.43 -1.26 -5.02 118.68 117.63 1nye s LEU 49 Ca -0.02 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.21 1nye s LEU 49 Cb 0.13 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1nye s LEU 49 CO 0.43 -0.19 0.00 -3.20 0.23 0.00 0.00 176.35 173.61 1nye n ASN 50 N 4.78 0.00 -2.70 2.29 2.85 -1.08 -0.95 115.26 120.46 1nye n ASN 50 Ca -0.13 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.25 1nye n ASN 50 Cb 0.46 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.53 1nye n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nye n GLN 51 N -0.89 1.14 -1.70 1.20 6.02 -1.25 -3.96 117.38 117.95 1nye n GLN 51 Ca 0.00 -2.92 -0.44 0.00 -0.01 0.00 0.00 57.00 53.63 1nye n GLN 51 Cb 0.00 -0.99 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 1nye n GLN 51 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1nye n GLN 52 N -0.16 2.30 -2.87 -1.09 1.13 -1.10 -4.55 117.38 111.04 1nye n GLN 52 Ca 0.07 0.82 -0.34 0.00 -1.94 0.00 0.00 57.00 55.61 1nye n GLN 52 Cb 0.82 -2.54 -0.07 0.00 0.11 0.00 0.00 30.24 28.56 1nye n GLN 52 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1nye s PRO 53 N -0.29 4.29 0.17 -1.09 0.04 -1.26 -0.84 135.00 136.02 1nye s PRO 53 Ca 0.68 1.10 -0.09 0.00 0.04 0.00 0.00 61.00 62.72 1nye s PRO 53 Cb -0.59 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1nye s PRO 53 CO 0.48 0.10 0.29 1.52 0.04 0.00 0.00 177.00 179.43 1nye s TYR 54 N -1.97 0.39 0.05 0.56 1.13 -0.54 -4.01 117.35 112.96 1nye s TYR 54 Ca 0.57 -0.75 -0.27 0.00 -1.41 0.00 0.00 57.07 55.21 1nye s TYR 54 Cb -0.12 -0.04 0.10 0.00 -1.10 0.00 0.00 41.96 40.79 1nye s TYR 54 CO 0.17 -0.73 1.19 0.20 -2.51 0.00 0.00 175.55 173.87 1nye s GLY 55 N -2.97 -0.17 0.21 5.49 0.00 -1.26 -1.85 107.32 106.78 1nye s GLY 55 Ca 0.17 0.16 0.14 0.00 0.00 0.00 0.00 44.72 45.19 1nye s GLY 55 CO 0.00 2.55 1.44 0.33 0.00 0.00 0.00 173.10 177.42 1nye n PHE 56 N -0.68 0.48 0.03 1.90 -0.00 -1.26 -0.97 117.46 116.97 1nye n PHE 56 Ca -0.03 0.25 -0.15 0.00 -0.00 0.00 0.00 57.45 57.52 1nye n PHE 56 Cb 0.60 -0.90 -0.14 0.00 -0.00 0.00 0.00 39.48 39.04 1nye n PHE 56 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.76 173.81 1nye h ASN 57 N 0.00 0.29 0.51 -2.13 -0.00 -1.91 -2.05 115.58 110.29 1nye h ASN 57 Ca 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 1nye h ASN 57 Cb 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.24 1nye h ASN 57 CO 0.00 1.40 -0.71 0.35 -0.00 0.00 0.00 177.43 178.47 1nye n THR 58 N -3.36 0.12 -0.12 6.14 -2.24 -0.65 -1.52 114.28 112.64 1nye n THR 58 Ca -0.18 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.21 1nye n THR 58 Cb 1.04 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 1nye n THR 58 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1nye n ARG 59 N -1.75 0.58 -0.00 -0.78 3.00 -0.14 -4.60 116.66 112.97 1nye n ARG 59 Ca 0.04 0.40 0.06 0.00 -0.00 0.00 0.00 57.85 58.34 1nye n ARG 59 Cb 0.38 -1.60 -0.07 0.00 0.00 0.00 0.00 32.46 31.17 1nye n ARG 59 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1nye n PHE 60 N -4.33 0.00 -2.15 -0.14 3.72 -0.78 -4.72 117.46 109.07 1nye n PHE 60 Ca -0.45 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 56.70 1nye n PHE 60 Cb 0.80 -0.03 0.01 0.00 -0.94 0.00 0.00 39.48 39.32 1nye n PHE 60 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1nye n GLU 61 N -1.35 3.55 -0.30 -1.08 1.02 -0.58 -4.99 120.64 116.91 1nye n GLU 61 Ca 0.02 -4.26 0.00 0.00 -0.02 0.00 0.00 57.16 52.90 1nye n GLU 61 Cb 0.20 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 1nye n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nye n GLY 62 N -0.64 0.00 3.76 0.62 0.00 -1.20 -4.78 105.19 102.95 1nye n GLY 62 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 1nye n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nye s GLU 63 N -0.60 4.67 0.17 1.61 2.02 -0.90 -4.96 118.70 120.71 1nye s GLU 63 Ca 0.00 1.74 -0.32 0.00 0.02 0.00 0.00 54.97 56.41 1nye s GLU 63 Cb 0.00 -3.19 -0.11 0.00 0.10 0.00 0.00 34.13 30.93 1nye s GLU 63 CO 0.00 0.26 1.76 0.21 0.02 0.00 0.00 175.26 177.51 1nye s LYS 64 N -1.42 4.13 0.00 1.61 2.20 -1.26 -4.24 119.74 120.77 1nye s LYS 64 Ca 0.44 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.65 1nye s LYS 64 Cb -0.31 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1nye s LYS 64 CO 0.39 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1nye n GLY 65 N 4.07 2.45 3.43 5.54 0.00 -1.26 -4.95 105.19 114.48 1nye n GLY 65 Ca 0.17 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1nye n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nye s THR 66 N -2.00 1.65 -0.14 2.61 -4.23 -1.26 -4.91 115.64 107.36 1nye s THR 66 Ca 0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 61.69 60.17 1nye s THR 66 Cb 0.00 -2.13 0.13 0.00 1.34 0.00 0.00 72.50 71.84 1nye s THR 66 CO 0.00 0.00 1.21 0.54 -0.54 0.00 0.00 174.62 175.83 1nye s ASN 67 N -2.95 -0.13 0.23 3.99 4.22 -1.26 -4.50 114.94 114.54 1nye s ASN 67 Ca 0.69 -0.04 -0.09 0.00 -2.14 0.00 0.00 52.86 51.28 1nye s ASN 67 Cb -0.19 0.16 0.20 0.00 1.28 0.00 0.00 41.25 42.71 1nye s ASN 67 CO 0.61 -0.27 1.90 -0.65 -2.04 0.00 0.00 177.10 176.65 1nye h PRO 68 N 2.00 1.13 -0.08 3.55 0.11 -1.97 -3.11 132.00 133.62 1nye h PRO 68 Ca -0.14 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.93 1nye h PRO 68 Cb 1.18 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1nye h PRO 68 CO 0.24 0.75 -0.16 0.93 -0.21 0.00 0.00 178.00 179.55 1nye h GLU 69 N 1.16 -0.21 -0.77 1.05 3.07 -1.97 -1.65 114.58 115.25 1nye h GLU 69 Ca 0.32 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1nye h GLU 69 Cb -0.13 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.79 1nye h GLU 69 CO -0.07 -0.14 0.50 1.49 -1.40 0.00 0.00 179.01 179.39 1nye h GLU 70 N -0.22 1.03 -0.49 2.33 4.81 -1.94 0.18 114.58 120.28 1nye h GLU 70 Ca 0.08 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1nye h GLU 70 Cb 0.33 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1nye h GLU 70 CO -0.21 0.69 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.57 1nye h LEU 71 N 1.05 0.93 -0.45 1.64 4.07 -1.41 0.15 115.31 121.29 1nye h LEU 71 Ca 0.28 -0.30 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 1nye h LEU 71 Cb -0.10 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.38 1nye h LEU 71 CO -0.06 1.06 -0.17 0.40 -1.08 0.00 0.00 178.44 178.58 1nye h ILE 72 N 0.83 1.27 -0.83 1.22 2.04 -0.60 -1.34 117.51 120.10 1nye h ILE 72 Ca 0.13 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 1nye h ILE 72 Cb 0.66 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1nye h ILE 72 CO 0.05 0.45 0.47 1.23 0.00 0.00 0.00 178.15 180.35 1nye h GLY 73 N 0.75 1.23 0.75 5.37 0.00 -0.23 0.07 103.07 111.02 1nye h GLY 73 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1nye h GLY 73 CO 0.06 0.52 0.00 0.00 0.00 0.00 0.00 176.54 177.12 1nye h ALA 74 N 1.36 0.12 -0.53 3.60 0.00 -0.45 -1.68 119.26 121.68 1nye h ALA 74 Ca 0.30 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nye h ALA 74 Cb -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1nye h ALA 74 CO -0.05 -0.21 0.31 0.00 0.00 0.00 0.00 179.25 179.30 1nye h ALA 75 N 0.74 0.68 -0.27 0.00 0.00 -0.92 -0.52 119.26 118.96 1nye h ALA 75 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nye h ALA 75 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nye h ALA 75 CO 0.00 0.01 0.06 1.25 0.00 0.00 0.00 179.25 180.57 1nye h HIS 76 N 0.61 0.46 -0.89 0.00 6.17 -0.96 0.43 115.15 120.97 1nye h HIS 76 Ca 0.22 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.25 1nye h HIS 76 Cb 0.04 -0.13 -0.04 0.00 2.52 0.00 0.00 27.41 29.80 1nye h HIS 76 CO -0.07 0.52 0.58 0.00 0.71 0.00 0.00 177.93 179.67 1nye h ALA 77 N 0.88 1.13 -0.25 5.26 0.00 -1.04 -0.44 119.26 124.80 1nye h ALA 77 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nye h ALA 77 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nye h ALA 77 CO 0.00 0.54 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 1nye h ALA 78 N 1.32 0.34 -0.41 0.00 0.00 -0.86 -1.38 119.26 118.26 1nye h ALA 78 Ca 0.32 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1nye h ALA 78 Cb -0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1nye h ALA 78 CO -0.07 0.08 0.03 0.00 0.00 0.00 0.00 179.25 179.29 1nye h PHE 80 N 0.55 1.04 -0.60 0.00 3.04 -1.07 -0.23 116.94 119.67 1nye h PHE 80 Ca 0.12 -0.14 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 1nye h PHE 80 Cb 0.43 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 1nye h PHE 80 CO 0.03 0.90 0.23 0.77 -2.02 0.00 0.00 178.31 178.22 1nye h SER 81 N 0.89 0.84 -0.36 0.41 0.02 -1.17 0.12 113.55 114.30 1nye h SER 81 Ca 0.18 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1nye h SER 81 Cb 0.41 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1nye h SER 81 CO 0.01 0.79 0.18 -0.03 -1.14 0.00 0.00 176.83 176.64 1nye h MET 82 N 0.84 0.51 -0.80 3.45 1.85 -1.28 -1.71 114.93 117.79 1nye h MET 82 Ca 0.20 -0.07 0.05 0.00 -0.61 0.00 0.00 59.70 59.27 1nye h MET 82 Cb 0.22 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 32.10 1nye h MET 82 CO -0.01 0.44 0.49 0.00 -0.40 0.00 0.00 176.91 177.43 1nye h ALA 83 N 1.04 1.08 -0.76 0.39 0.00 -0.43 -1.22 119.26 119.36 1nye h ALA 83 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1nye h ALA 83 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1nye h ALA 83 CO -0.02 0.25 0.34 1.25 0.00 0.00 0.00 179.25 181.07 1nye h LEU 84 N 0.92 1.00 -0.38 0.00 5.85 -0.37 -0.59 115.31 121.74 1nye h LEU 84 Ca 0.34 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1nye h LEU 84 Cb 0.12 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1nye h LEU 84 CO -0.15 0.86 0.20 -1.28 -0.34 0.00 0.00 178.44 177.73 1nye h SER 85 N 1.09 0.48 0.01 1.25 0.87 -0.42 -1.89 113.55 114.94 1nye h SER 85 Ca 0.26 -0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1nye h SER 85 Cb 0.15 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1nye h SER 85 CO -0.03 0.45 -0.22 0.25 -0.53 0.00 0.00 176.83 176.74 1nye h LEU 86 N 0.49 -0.66 -1.83 2.23 7.12 -0.44 -0.78 115.31 121.44 1nye h LEU 86 Ca 0.13 0.09 -0.03 0.00 0.13 0.00 0.00 57.88 58.21 1nye h LEU 86 Cb 0.07 0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1nye h LEU 86 CO -0.02 -0.29 -0.14 0.24 -0.13 0.00 0.00 178.44 178.10 1nye h MET 87 N -0.36 0.00 0.00 1.25 2.86 -1.00 0.88 114.93 118.56 1nye h MET 87 Ca 0.06 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.56 1nye h MET 87 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1nye h MET 87 CO -0.20 0.14 -0.68 -0.07 1.06 0.00 0.00 176.91 177.17 1nye h LEU 88 N 0.00 0.00 0.15 1.22 3.38 -0.79 -2.92 115.31 116.35 1nye h LEU 88 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1nye h LEU 88 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1nye h LEU 88 CO 0.02 0.68 -0.07 1.23 0.09 0.00 0.00 178.44 180.38 1nye h GLY 89 N 2.09 -0.21 1.86 0.83 0.00 0.58 0.59 103.07 108.81 1nye h GLY 89 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1nye h GLY 89 CO 0.09 -0.08 0.04 1.18 0.00 0.00 0.00 176.54 177.77 1nye n GLU 90 N -4.96 0.04 -0.00 4.80 1.02 -0.36 -0.15 120.64 121.02 1nye n GLU 90 Ca -0.08 0.52 0.10 0.00 -0.02 0.00 0.00 57.16 57.67 1nye n GLU 90 Cb 0.26 -1.68 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 1nye n GLU 90 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nye n ALA 91 N -1.56 4.07 -0.54 0.62 0.00 -1.04 -4.98 120.51 117.08 1nye n ALA 91 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1nye n ALA 91 Cb 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1nye n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 92 N 1.43 1.48 3.27 0.00 0.00 0.79 -5.08 105.19 107.06 1nye n GLY 92 Ca 0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1nye n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 93 N -2.04 1.32 -0.28 1.61 0.08 0.20 -5.01 117.98 113.85 1nye s PHE 93 Ca 0.00 -0.86 -0.04 0.00 0.12 0.00 0.00 56.93 56.15 1nye s PHE 93 Cb 0.00 -0.72 0.10 0.00 -0.57 0.00 0.00 43.02 41.83 1nye s PHE 93 CO 0.00 -0.02 0.12 0.99 -0.10 0.00 0.00 175.22 176.21 1nye s THR 94 N -3.43 0.02 0.26 0.64 2.01 -1.26 -3.16 115.64 110.71 1nye s THR 94 Ca 0.21 -0.77 -0.31 0.00 0.31 0.00 0.00 61.69 61.14 1nye s THR 94 Cb 0.04 -1.01 -0.13 0.00 0.01 0.00 0.00 72.50 71.41 1nye s THR 94 CO 0.03 -0.68 1.37 -0.81 -0.69 0.00 0.00 174.62 173.84 1nye n PRO 95 N 5.22 2.02 0.06 4.92 -0.04 -1.26 -4.59 135.00 141.32 1nye n PRO 95 Ca -0.06 0.72 0.04 0.00 -0.04 0.00 0.00 63.50 64.16 1nye n PRO 95 Cb 0.43 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.49 1nye n PRO 95 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1nye h THR 96 N 2.93 0.37 -2.18 0.52 1.35 -1.13 -3.47 112.91 111.29 1nye h THR 96 Ca -0.45 -1.70 -0.05 0.00 -0.55 0.00 0.00 66.41 63.65 1nye h THR 96 Cb 1.28 1.90 -0.22 0.00 -1.73 0.00 0.00 68.15 69.38 1nye h THR 96 CO 0.73 0.21 0.02 -0.55 -0.25 0.00 0.00 175.52 175.68 1nye s SER 97 N -5.71 -0.70 -0.10 5.36 0.15 -1.11 -5.00 113.70 106.60 1nye s SER 97 Ca -0.02 1.31 -0.03 0.00 0.70 0.00 0.00 55.95 57.91 1nye s SER 97 Cb 0.09 1.30 0.04 0.00 -1.71 0.00 0.00 66.02 65.74 1nye s SER 97 CO 0.80 -0.22 0.06 -0.63 1.20 0.00 0.00 173.24 174.45 1nye s ILE 98 N 0.53 -0.02 -0.28 6.45 1.01 -1.26 -0.99 121.20 126.64 1nye s ILE 98 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.80 1nye s ILE 98 Cb -0.05 -0.38 0.08 0.00 0.01 0.00 0.00 42.46 42.12 1nye s ILE 98 CO -0.02 0.01 -0.02 -1.81 0.00 0.00 0.00 174.94 173.10 1nye s ASP 99 N 2.12 4.30 0.10 3.58 1.01 -0.35 -4.97 116.67 122.45 1nye s ASP 99 Ca 0.04 -1.57 0.10 0.00 0.71 0.00 0.00 52.55 51.83 1nye s ASP 99 Cb -0.14 -1.38 -0.04 0.00 1.01 0.00 0.00 42.92 42.38 1nye s ASP 99 CO -0.06 -0.28 -0.25 0.42 0.21 0.00 0.00 175.17 175.21 1nye s THR 100 N 1.20 2.10 0.06 -1.27 -4.23 -1.26 -0.14 115.64 112.11 1nye s THR 100 Ca -0.00 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 1nye s THR 100 Cb -0.19 -1.85 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 1nye s THR 100 CO -0.08 0.15 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.06 1nye s THR 101 N -0.99 1.61 -0.19 3.99 2.01 0.24 -4.95 115.64 117.36 1nye s THR 101 Ca 0.12 -1.30 0.01 0.00 0.31 0.00 0.00 61.69 60.82 1nye s THR 101 Cb -0.10 -1.43 0.04 0.00 0.01 0.00 0.00 72.50 71.02 1nye s THR 101 CO 0.04 0.08 -0.10 0.00 -0.69 0.00 0.00 174.62 173.95 1nye s ALA 102 N -0.95 1.90 -0.34 7.40 0.00 -1.26 -0.66 121.76 127.86 1nye s ALA 102 Ca 0.06 -1.10 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 1nye s ALA 102 Cb -0.09 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 1nye s ALA 102 CO 0.03 -0.74 0.40 0.34 0.00 0.00 0.00 175.76 175.79 1nye s ASP 103 N 1.45 6.22 -0.27 0.00 3.68 -0.44 -4.80 116.67 122.51 1nye s ASP 103 Ca 0.00 -0.16 -0.12 0.00 2.13 0.00 0.00 52.55 54.40 1nye s ASP 103 Cb -0.15 -2.22 -0.05 0.00 -1.45 0.00 0.00 42.92 39.05 1nye s ASP 103 CO -0.09 -0.37 0.22 -0.69 0.13 0.00 0.00 175.17 174.38 1nye s VAL 104 N 2.11 5.29 -0.21 1.11 1.01 -1.26 -0.74 120.40 127.71 1nye s VAL 104 Ca 0.14 0.26 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 1nye s VAL 104 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1nye s VAL 104 CO 0.12 0.25 0.52 -0.44 0.00 0.00 0.00 175.10 175.55 1nye s SER 105 N 1.61 6.55 -0.39 3.32 0.01 0.17 -5.00 113.70 119.97 1nye s SER 105 Ca 0.09 0.66 -0.04 0.00 1.31 0.00 0.00 55.95 57.96 1nye s SER 105 Cb -0.16 -2.29 0.09 0.00 0.21 0.00 0.00 66.02 63.87 1nye s SER 105 CO 0.10 -0.20 0.18 -0.22 0.41 0.00 0.00 173.24 173.51 1nye s LEU 106 N 1.74 4.97 -0.12 2.44 1.98 -1.26 -2.01 118.68 126.43 1nye s LEU 106 Ca 0.24 -1.74 -0.05 0.00 -2.89 0.00 0.00 54.13 49.68 1nye s LEU 106 Cb -0.15 -1.85 -0.04 0.00 0.66 0.00 0.00 46.19 44.81 1nye s LEU 106 CO 0.09 -0.49 0.07 -1.81 -1.89 0.00 0.00 176.35 172.33 1nye s ASP 107 N 1.81 5.82 -0.81 3.68 -0.00 -0.85 -4.89 116.67 121.43 1nye s ASP 107 Ca 0.04 0.28 -0.26 0.00 -0.00 0.00 0.00 52.55 52.62 1nye s ASP 107 Cb -0.22 -1.81 0.01 0.00 -0.00 0.00 0.00 42.92 40.90 1nye s ASP 107 CO -0.02 0.36 1.53 -1.59 -0.00 0.00 0.00 175.17 175.46 1nye s LYS 108 N -0.77 3.09 -0.18 8.23 0.00 -1.26 -1.86 119.74 126.99 1nye s LYS 108 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 55.97 55.80 1nye s LYS 108 Cb -0.12 -4.65 0.02 0.00 0.00 0.00 0.00 37.83 33.08 1nye s LYS 108 CO 0.03 -2.45 -0.19 0.08 0.00 0.00 0.00 175.35 172.82 1nye s VAL 109 N 6.81 2.21 0.00 1.79 1.01 0.96 -4.96 120.40 128.22 1nye s VAL 109 Ca 0.49 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1nye s VAL 109 Cb -0.07 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1nye s VAL 109 CO 0.08 0.53 0.00 0.47 0.00 0.00 0.00 175.10 176.17 1nye n ASP 110 N 4.54 0.00 -2.08 3.32 10.43 -1.26 -3.07 116.55 128.43 1nye n ASP 110 Ca -0.21 0.00 -0.19 0.00 2.57 0.00 0.00 54.79 56.97 1nye n ASP 110 Cb 0.50 0.00 0.21 0.00 1.84 0.00 0.00 41.12 43.67 1nye n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nye n ALA 111 N 10.57 5.29 0.00 2.24 0.00 -1.26 -4.99 120.51 132.36 1nye n ALA 111 Ca 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1nye n ALA 111 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1nye n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nye n GLY 112 N -0.97 -0.65 3.53 0.00 0.00 -1.17 -5.17 105.19 100.76 1nye n GLY 112 Ca 0.54 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1nye n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nye s PHE 113 N -3.44 2.51 -0.18 1.61 0.08 -1.26 -0.03 117.98 117.27 1nye s PHE 113 Ca 0.00 -0.27 -0.14 0.00 0.12 0.00 0.00 56.93 56.63 1nye s PHE 113 Cb 0.00 -1.19 0.05 0.00 -0.57 0.00 0.00 43.02 41.31 1nye s PHE 113 CO 0.00 0.56 0.46 0.00 -0.10 0.00 0.00 175.22 176.14 1nye s ALA 114 N -1.94 -1.15 -0.60 5.36 0.00 -0.78 -4.87 121.76 117.78 1nye s ALA 114 Ca 0.26 1.40 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 1nye s ALA 114 Cb -0.08 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1nye s ALA 114 CO 0.15 -0.24 1.72 0.42 0.00 0.00 0.00 175.76 177.81 1nye s ILE 115 N 0.58 3.47 -0.11 0.00 1.09 -1.26 -2.00 121.20 122.96 1nye s ILE 115 Ca -0.03 0.31 0.22 0.00 -1.10 0.00 0.00 60.65 60.05 1nye s ILE 115 Cb -0.05 -4.11 -0.21 0.00 -1.06 0.00 0.00 42.46 37.04 1nye s ILE 115 CO -0.03 -1.03 0.67 0.35 -0.10 0.00 0.00 174.94 174.79 1nye n THR 116 N 7.07 0.37 -3.69 2.92 -2.24 -0.85 -4.60 114.28 113.26 1nye n THR 116 Ca 0.17 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1nye n THR 116 Cb 0.51 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 1nye n THR 116 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nye s LYS 117 N -3.37 0.87 -0.11 -0.78 2.20 -1.22 -1.37 119.74 115.97 1nye s LYS 117 Ca -0.05 -0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1nye s LYS 117 Cb 0.12 0.39 0.05 0.00 -1.51 0.00 0.00 37.83 36.87 1nye s LYS 117 CO 0.86 -0.29 0.08 0.42 -0.36 0.00 0.00 175.35 176.05 1nye s ILE 118 N -2.38 -0.10 -0.42 5.43 1.01 -0.51 0.46 121.20 124.70 1nye s ILE 118 Ca -0.06 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.56 1nye s ILE 118 Cb -0.01 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.12 1nye s ILE 118 CO -0.02 -0.06 0.37 0.00 0.00 0.00 0.00 174.94 175.24 1nye s ALA 119 N 2.16 3.46 -0.11 9.38 0.00 0.08 -2.12 121.76 134.59 1nye s ALA 119 Ca 0.03 -1.65 -0.21 0.00 0.00 0.00 0.00 51.96 50.14 1nye s ALA 119 Cb -0.14 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1nye s ALA 119 CO -0.06 -1.54 0.61 -0.51 0.00 0.00 0.00 175.76 174.25 1nye s LEU 120 N 1.90 4.27 -0.09 0.00 1.43 -0.08 -1.32 118.68 124.79 1nye s LEU 120 Ca 0.08 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 54.19 1nye s LEU 120 Cb -0.18 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.14 1nye s LEU 120 CO 0.12 -0.11 -0.15 -0.75 0.23 0.00 0.00 176.35 175.69 1nye s LYS 121 N 0.97 2.05 -0.06 1.70 2.20 0.17 -0.60 119.74 126.16 1nye s LYS 121 Ca 0.32 -0.52 -0.04 0.00 -0.36 0.00 0.00 55.97 55.37 1nye s LYS 121 Cb -0.16 -1.69 0.03 0.00 -1.51 0.00 0.00 37.83 34.49 1nye s LYS 121 CO 0.14 0.01 0.15 0.45 -0.36 0.00 0.00 175.35 175.74 1nye s SER 122 N 0.76 -0.14 -0.34 1.43 0.15 0.21 0.80 113.70 116.57 1nye s SER 122 Ca -0.12 0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.77 1nye s SER 122 Cb -0.16 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1nye s SER 122 CO 0.02 -0.10 0.11 -1.61 1.20 0.00 0.00 173.24 172.87 1nye s GLU 123 N 0.59 2.65 -0.05 5.44 2.02 0.81 -1.83 118.70 128.33 1nye s GLU 123 Ca -0.04 -1.16 0.03 0.00 0.02 0.00 0.00 54.97 53.82 1nye s GLU 123 Cb -0.06 -3.48 -0.03 0.00 0.10 0.00 0.00 34.13 30.67 1nye s GLU 123 CO -0.03 -0.66 -0.14 0.08 0.02 0.00 0.00 175.26 174.53 1nye s VAL 124 N 1.42 3.09 -0.23 2.63 1.01 -0.32 -1.21 120.40 126.79 1nye s VAL 124 Ca -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1nye s VAL 124 Cb -0.19 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.02 1nye s VAL 124 CO 0.03 0.59 -0.11 0.00 0.00 0.00 0.00 175.10 175.61 1nye s ALA 125 N -0.69 2.29 -0.07 5.51 0.00 -0.16 -0.76 121.76 127.87 1nye s ALA 125 Ca 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1nye s ALA 125 Cb -0.11 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.60 1nye s ALA 125 CO 0.01 -1.00 -0.04 0.08 0.00 0.00 0.00 175.76 174.81 1nye s VAL 126 N 1.25 0.66 0.00 0.00 1.01 -1.23 -0.41 120.40 121.68 1nye s VAL 126 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1nye s VAL 126 Cb -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1nye s VAL 126 CO -0.07 0.28 0.00 -2.65 0.00 0.00 0.00 175.10 172.66 1nye n PRO 127 N 4.59 0.00 -3.28 2.72 -0.02 -1.26 -4.15 135.00 133.60 1nye n PRO 127 Ca -0.16 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.07 1nye n PRO 127 Cb 0.50 -0.03 -0.07 0.00 -0.02 0.00 0.00 33.50 33.88 1nye n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nye n GLY 128 N 0.00 3.97 3.66 -1.23 0.00 -1.26 -4.83 105.19 105.49 1nye n GLY 128 Ca 0.00 -2.21 -0.35 0.00 0.00 0.00 0.00 46.02 43.47 1nye n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nye s ILE 129 N -2.03 4.22 0.53 -0.61 1.09 -1.26 -5.09 121.20 118.05 1nye s ILE 129 Ca 0.38 -0.28 -0.20 0.00 -1.10 0.00 0.00 60.65 59.45 1nye s ILE 129 Cb 0.18 -2.77 -0.06 0.00 -1.06 0.00 0.00 42.46 38.74 1nye s ILE 129 CO -0.06 0.59 1.15 1.51 -0.10 0.00 0.00 174.94 178.03 1nye s ASP 130 N -0.77 5.76 0.45 3.58 -4.77 -1.26 -4.90 116.67 114.76 1nye s ASP 130 Ca 0.12 2.24 0.13 0.00 -3.30 0.00 0.00 52.55 51.74 1nye s ASP 130 Cb -0.11 -2.59 1.04 0.00 -1.09 0.00 0.00 42.92 40.17 1nye s ASP 130 CO 0.02 -1.19 2.04 0.00 0.70 0.00 0.00 175.17 176.74 1nye h ALA 131 N 1.37 1.95 0.39 2.11 0.00 -1.98 -2.56 119.26 120.52 1nye h ALA 131 Ca -0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1nye h ALA 131 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nye h ALA 131 CO 0.57 -0.02 -0.19 1.03 0.00 0.00 0.00 179.25 180.65 1nye h SER 132 N 0.36 -0.44 -0.81 0.00 0.87 -2.00 -1.80 113.55 109.73 1nye h SER 132 Ca 0.18 0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.86 1nye h SER 132 Cb 0.28 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.28 1nye h SER 132 CO -0.04 -0.26 0.45 0.71 -0.53 0.00 0.00 176.83 177.16 1nye h THR 133 N -0.63 0.88 -0.70 2.23 1.35 -1.95 -0.77 112.91 113.32 1nye h THR 133 Ca -0.05 -0.26 0.02 0.00 -0.55 0.00 0.00 66.41 65.57 1nye h THR 133 Cb 0.40 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 66.85 1nye h THR 133 CO 0.09 0.14 0.45 0.15 -0.25 0.00 0.00 175.52 176.10 1nye h PHE 134 N 0.75 0.86 -0.67 4.73 3.04 -1.52 -1.53 116.94 122.59 1nye h PHE 134 Ca 0.40 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.45 1nye h PHE 134 Cb 0.39 -0.29 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 1nye h PHE 134 CO -0.07 0.52 0.34 0.22 -2.02 0.00 0.00 178.31 177.30 1nye h ASP 135 N 0.91 0.47 0.09 0.41 3.58 -0.25 0.16 116.42 121.79 1nye h ASP 135 Ca 0.27 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.75 1nye h ASP 135 Cb -0.05 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 1nye h ASP 135 CO -0.08 0.29 -0.09 1.23 -2.88 0.00 0.00 179.24 177.71 1nye h GLY 136 N 0.61 0.00 0.19 -0.78 0.00 -0.59 -2.67 103.07 99.83 1nye h GLY 136 Ca 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1nye h GLY 136 CO -0.23 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.07 1nye h ILE 137 N 0.00 1.25 -0.71 2.60 1.08 0.15 -2.61 117.51 119.26 1nye h ILE 137 Ca -0.00 -1.65 0.06 0.00 -0.39 0.00 0.00 64.86 62.89 1nye h ILE 137 Cb 0.16 2.23 -0.06 0.00 -3.07 0.00 0.00 36.82 36.08 1nye h ILE 137 CO 0.01 0.37 0.40 0.16 -0.69 0.00 0.00 178.15 178.41 1nye h ILE 138 N -0.88 0.97 -0.59 -0.67 -0.00 -1.15 -0.35 117.51 114.85 1nye h ILE 138 Ca -0.01 -0.25 0.09 0.00 -0.00 0.00 0.00 64.86 64.69 1nye h ILE 138 Cb 0.66 0.17 -0.07 0.00 -0.00 0.00 0.00 36.82 37.58 1nye h ILE 138 CO 0.01 0.13 0.22 1.56 -0.00 0.00 0.00 178.15 180.07 1nye h GLN 139 N 0.74 0.39 -0.24 0.16 1.08 -1.57 0.28 115.11 115.93 1nye h GLN 139 Ca 0.32 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.54 1nye h GLN 139 Cb 0.20 -0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.50 1nye h GLN 139 CO -0.19 0.26 -0.02 0.87 -0.95 0.00 0.00 178.83 178.79 1nye h LYS 140 N 0.40 0.04 -0.34 1.46 1.79 -0.70 -2.37 116.57 116.85 1nye h LYS 140 Ca 0.29 -0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.71 1nye h LYS 140 Cb 0.35 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1nye h LYS 140 CO -0.29 0.03 0.03 0.00 -1.08 0.00 0.00 179.45 178.14 1nye h ALA 141 N 1.22 0.46 -0.37 3.86 0.00 -0.46 -0.50 119.26 123.47 1nye h ALA 141 Ca 0.12 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1nye h ALA 141 Cb 0.16 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1nye h ALA 141 CO -0.22 0.18 -0.26 -0.22 0.00 0.00 0.00 179.25 178.74 1nye h LYS 142 N 0.40 -0.20 0.00 0.00 3.11 -0.22 -1.01 116.57 118.66 1nye h LYS 142 Ca 0.10 0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.82 1nye h LYS 142 Cb 0.40 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.65 1nye h LYS 142 CO 0.01 -0.13 -0.73 0.00 -2.81 0.00 0.00 179.45 175.79 1nye h ALA 143 N 0.92 0.61 0.00 5.00 0.00 -1.43 -3.39 119.26 120.98 1nye h ALA 143 Ca 0.18 -0.60 -0.17 0.00 0.00 0.00 0.00 54.91 54.32 1nye h ALA 143 Cb 0.49 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1nye h ALA 143 CO -0.49 0.79 -1.57 0.41 0.00 0.00 0.00 179.25 178.39 1nye n GLY 144 N 1.28 -1.17 3.70 0.00 0.00 -0.20 -4.39 105.19 104.40 1nye n GLY 144 Ca -0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1nye n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nye h PRO 146 N 1.88 0.10 -0.54 0.00 0.11 -1.91 -1.19 132.00 130.45 1nye h PRO 146 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1nye h PRO 146 Cb 1.30 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1nye h PRO 146 CO 0.59 0.07 0.26 0.28 -0.21 0.00 0.00 178.00 178.99 1nye h VAL 147 N 0.10 1.20 -0.90 3.15 2.07 -1.94 0.49 116.25 120.42 1nye h VAL 147 Ca 0.41 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1nye h VAL 147 Cb 0.71 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1nye h VAL 147 CO -0.66 0.23 0.60 0.28 0.02 0.00 0.00 177.57 178.03 1nye h SER 148 N 0.73 1.04 0.35 0.57 0.02 -1.54 -2.50 113.55 112.23 1nye h SER 148 Ca 0.19 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1nye h SER 148 Cb 0.11 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1nye h SER 148 CO -0.02 0.76 -0.28 1.56 -1.14 0.00 0.00 176.83 177.70 1nye h GLN 149 N 1.23 0.00 0.00 3.45 4.20 -0.44 -3.00 115.11 120.55 1nye h GLN 149 Ca 0.33 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.88 1nye h GLN 149 Cb -0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1nye h GLN 149 CO -0.07 0.28 -0.84 0.28 -0.67 0.00 0.00 178.83 177.81 1nye h VAL 150 N 0.00 1.08 -3.29 -0.54 2.07 -0.55 -3.45 116.25 111.57 1nye h VAL 150 Ca -0.00 -2.59 -0.56 0.00 0.82 0.00 0.00 66.70 64.36 1nye h VAL 150 Cb 0.53 2.51 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 1nye h VAL 150 CO 0.04 0.62 0.48 -0.76 0.02 0.00 0.00 177.57 177.96 1nye s LEU 151 N -6.43 4.24 -0.09 2.57 1.43 -0.98 -4.95 118.68 114.48 1nye s LEU 151 Ca 0.02 1.43 0.08 0.00 -1.03 0.00 0.00 54.13 54.63 1nye s LEU 151 Cb 0.08 -3.45 0.40 0.00 0.03 0.00 0.00 46.19 43.26 1nye s LEU 151 CO 0.78 -0.40 1.18 2.29 0.23 0.00 0.00 176.35 180.44 1nye n LYS 152 N 4.89 2.71 -2.73 1.70 2.85 -1.26 -4.91 118.16 121.41 1nye n LYS 152 Ca 0.07 -1.56 -0.24 0.00 -1.05 0.00 0.00 58.31 55.52 1nye n LYS 152 Cb 0.49 -1.73 0.02 0.00 -0.65 0.00 0.00 35.03 33.16 1nye n LYS 152 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nye s ALA 153 N -1.79 3.58 0.23 0.58 0.00 -1.26 -5.05 121.76 118.05 1nye s ALA 153 Ca 0.28 -0.92 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1nye s ALA 153 Cb 0.19 -2.33 -0.09 0.00 0.00 0.00 0.00 23.12 20.90 1nye s ALA 153 CO 0.11 -0.57 1.18 -2.00 0.00 0.00 0.00 175.76 174.48 1nye s GLU 154 N -4.74 4.52 -0.14 0.00 2.12 -0.47 -4.88 118.70 115.11 1nye s GLU 154 Ca 0.51 1.90 -0.00 0.00 0.36 0.00 0.00 54.97 57.74 1nye s GLU 154 Cb -0.10 -3.20 0.03 0.00 0.26 0.00 0.00 34.13 31.12 1nye s GLU 154 CO 0.41 -0.01 -0.08 0.42 -0.54 0.00 0.00 175.26 175.46 1nye s ILE 155 N -0.54 1.17 0.23 -3.70 1.01 -1.26 -1.42 121.20 116.69 1nye s ILE 155 Ca 0.50 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.74 1nye s ILE 155 Cb -0.33 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1nye s ILE 155 CO 0.40 0.31 0.17 0.42 0.00 0.00 0.00 174.94 176.24 1nye s THR 156 N 1.64 4.40 -0.05 2.92 -4.23 -0.90 -4.99 115.64 114.42 1nye s THR 156 Ca 0.04 -1.34 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1nye s THR 156 Cb -0.13 -3.34 -0.00 0.00 1.34 0.00 0.00 72.50 70.36 1nye s THR 156 CO -0.09 -0.28 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.30 1nye s LEU 157 N -3.61 1.96 -0.04 4.79 0.20 -1.26 -0.90 118.68 119.81 1nye s LEU 157 Ca 0.32 -0.42 -0.00 0.00 0.69 0.00 0.00 54.13 54.72 1nye s LEU 157 Cb -0.08 -1.12 0.03 0.00 -0.43 0.00 0.00 46.19 44.58 1nye s LEU 157 CO 0.24 0.17 0.01 -1.81 -0.29 0.00 0.00 176.35 174.67 1nye s ASP 158 N 0.05 0.83 0.12 3.68 1.11 0.23 -4.97 116.67 117.72 1nye s ASP 158 Ca -0.06 -0.03 -0.11 0.00 0.18 0.00 0.00 52.55 52.53 1nye s ASP 158 Cb -0.13 -0.27 0.01 0.00 1.07 0.00 0.00 42.92 43.60 1nye s ASP 158 CO 0.03 -0.14 0.28 -0.72 1.18 0.00 0.00 175.17 175.80 1nye s TYR 159 N 1.42 0.09 -0.05 4.23 1.13 -1.26 -0.62 117.35 122.28 1nye s TYR 159 Ca -0.04 -0.47 0.03 0.00 -1.41 0.00 0.00 57.07 55.17 1nye s TYR 159 Cb -0.13 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 1nye s TYR 159 CO -0.03 -0.64 -0.12 -0.65 -2.51 0.00 0.00 175.55 171.60 1nye s GLN 160 N -3.87 1.56 -0.17 -3.49 -0.21 -0.76 -4.98 119.66 107.74 1nye s GLN 160 Ca 0.07 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.04 1nye s GLN 160 Cb 0.03 -1.32 0.01 0.00 1.00 0.00 0.00 33.01 32.73 1nye s GLN 160 CO -0.09 0.07 -0.16 -1.17 -2.12 0.00 0.00 175.29 171.82 1nye s LEU 161 N 0.51 2.40 -0.04 2.90 1.98 -1.26 -1.17 118.68 124.00 1nye s LEU 161 Ca -0.11 -0.53 -0.17 0.00 -2.89 0.00 0.00 54.13 50.43 1nye s LEU 161 Cb -0.14 -1.55 -0.05 0.00 0.66 0.00 0.00 46.19 45.10 1nye s LEU 161 CO 0.03 0.04 0.48 -0.54 -1.89 0.00 0.00 176.35 174.46 1nye s LYS 162 N 1.08 4.17 0.00 1.98 1.02 0.06 -5.00 119.74 123.04 1nye s LYS 162 Ca -0.00 0.50 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1nye s LYS 162 Cb -0.14 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1nye s LYS 162 CO -0.05 0.43 0.00 0.43 -0.92 0.00 0.00 175.35 175.24