#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm s THR 2 N 0.00 1.01 0.00 0.00 -4.23 -1.26 -4.84 115.64 106.32 1orm s THR 2 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1orm s THR 2 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1orm s THR 2 CO 0.00 0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 173.84 1orm n SER 3 N -1.06 0.00 -3.53 3.99 2.88 -1.26 -3.60 113.62 111.05 1orm n SER 3 Ca -0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.38 1orm n SER 3 Cb 0.66 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.10 1orm n SER 3 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1orm s THR 4 N 0.00 0.00 -0.35 2.46 -1.32 -1.26 -4.50 115.64 110.67 1orm s THR 4 Ca 0.00 -0.16 -0.13 0.00 -1.21 0.00 0.00 61.69 60.19 1orm s THR 4 Cb 0.00 -1.19 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 1orm s THR 4 CO 0.00 0.00 0.23 0.54 -2.21 0.00 0.00 174.62 173.18 1orm s VAL 5 N -3.49 5.12 0.24 5.08 0.11 -1.26 -4.32 120.40 121.88 1orm s VAL 5 Ca 0.04 -0.37 0.10 0.00 -2.93 0.00 0.00 61.98 58.82 1orm s VAL 5 Cb -0.02 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1orm s VAL 5 CO -0.08 -0.07 -0.09 0.28 -3.33 0.00 0.00 175.10 171.81 1orm s THR 6 N 1.69 3.07 0.00 5.04 -1.32 -1.25 -4.40 115.64 118.47 1orm s THR 6 Ca 0.05 -1.97 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1orm s THR 6 Cb -0.18 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 1orm s THR 6 CO 0.09 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 1orm n GLY 7 N -0.49 0.61 0.00 6.08 0.00 -1.25 -4.09 105.19 106.05 1orm n GLY 7 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1orm n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 8 N -0.10 0.97 3.03 -0.02 0.00 -1.26 -3.43 105.19 104.38 1orm n GLY 8 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1orm n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1orm s TYR 9 N 1.57 0.45 -0.21 1.61 2.02 -1.26 -4.68 117.35 116.84 1orm s TYR 9 Ca 0.00 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1orm s TYR 9 Cb 0.00 -0.29 0.07 0.00 -0.40 0.00 0.00 41.96 41.33 1orm s TYR 9 CO 0.00 -0.18 0.06 0.00 -1.57 0.00 0.00 175.55 173.86 1orm s ALA 10 N -1.87 0.95 0.29 3.71 0.00 -1.24 -4.43 121.76 119.17 1orm s ALA 10 Ca -0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 1orm s ALA 10 Cb -0.07 -1.23 -0.09 0.00 0.00 0.00 0.00 23.12 21.73 1orm s ALA 10 CO -0.02 -1.28 0.79 1.14 0.00 0.00 0.00 175.76 176.39 1orm s GLN 11 N 1.89 4.23 -0.02 0.00 -2.07 -1.26 -3.66 119.66 118.76 1orm s GLN 11 Ca 0.02 0.91 0.01 0.00 -1.82 0.00 0.00 55.36 54.47 1orm s GLN 11 Cb -0.17 -2.65 0.02 0.00 -1.09 0.00 0.00 33.01 29.12 1orm s GLN 11 CO -0.13 0.26 -0.01 0.45 -1.32 0.00 0.00 175.29 174.54 1orm s SER 12 N -1.89 0.44 -0.37 12.60 0.15 -1.25 -4.05 113.70 119.32 1orm s SER 12 Ca 0.50 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 57.12 1orm s SER 12 Cb -0.14 -0.19 0.15 0.00 -1.71 0.00 0.00 66.02 64.13 1orm s SER 12 CO 0.19 -0.06 0.30 -1.81 1.20 0.00 0.00 173.24 173.07 1orm s ASP 13 N 0.70 1.96 0.27 5.45 1.01 -1.26 -3.14 116.67 121.66 1orm s ASP 13 Ca -0.07 -2.05 0.11 0.00 0.71 0.00 0.00 52.55 51.25 1orm s ASP 13 Cb -0.10 0.04 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 1orm s ASP 13 CO -0.01 -0.27 -0.18 0.00 0.21 0.00 0.00 175.17 174.93 1orm s ALA 14 N 1.08 2.62 -0.15 5.23 0.00 -1.25 -4.46 121.76 124.84 1orm s ALA 14 Ca 0.20 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1orm s ALA 14 Cb -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1orm s ALA 14 CO -0.03 0.21 0.00 0.94 0.00 0.00 0.00 175.76 176.89 1orm n GLN 15 N -0.59 -0.15 -1.27 0.00 7.27 -1.26 -3.18 117.38 118.21 1orm n GLN 15 Ca -0.06 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.43 1orm n GLN 15 Cb 0.60 -3.88 0.00 0.00 2.41 0.00 0.00 30.24 29.38 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1orm n GLY 16 N -2.73 -0.22 3.60 1.69 0.00 -1.26 -4.59 105.19 101.68 1orm n GLY 16 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 1orm n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1orm n GLN 17 N -0.74 -1.63 -2.70 1.61 6.02 -1.26 -4.93 117.38 113.76 1orm n GLN 17 Ca 0.00 1.05 -0.05 0.00 -0.01 0.00 0.00 57.00 57.99 1orm n GLN 17 Cb 0.31 -2.87 0.10 0.00 1.02 0.00 0.00 30.24 28.81 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1orm n MET 18 N -1.93 1.30 -3.58 -1.09 1.56 -1.19 -5.00 117.12 107.19 1orm n MET 18 Ca -0.21 -2.11 -0.11 0.00 -0.27 0.00 0.00 57.70 55.00 1orm n MET 18 Cb 0.66 -0.31 -0.05 0.00 2.15 0.00 0.00 33.22 35.66 1orm n MET 18 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1orm s ASN 19 N -1.83 -0.38 0.26 6.12 0.01 -1.26 -4.78 114.94 113.07 1orm s ASN 19 Ca 0.20 0.45 -0.05 0.00 -0.71 0.00 0.00 52.86 52.75 1orm s ASN 19 Cb 0.42 0.36 -0.02 0.00 0.41 0.00 0.00 41.25 42.42 1orm s ASN 19 CO -0.07 -0.33 0.34 -0.54 -1.51 0.00 0.00 177.10 175.00 1orm s LYS 20 N -0.97 1.52 0.92 -0.60 -0.14 -1.19 -4.17 119.74 115.11 1orm s LYS 20 Ca -0.01 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.06 1orm s LYS 20 Cb -0.01 0.39 0.00 0.00 -1.68 0.00 0.00 37.83 36.53 1orm s LYS 20 CO 0.01 -0.59 0.00 -1.33 -0.76 0.00 0.00 175.35 172.68 1orm n MET 21 N -0.40 -1.40 0.00 1.68 2.81 -1.26 -4.73 117.12 113.82 1orm n MET 21 Ca 0.01 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.82 1orm n MET 21 Cb 0.63 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1orm n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1orm n GLY 22 N -2.08 -1.73 0.00 3.03 0.00 -1.24 -3.85 105.19 99.32 1orm n GLY 22 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1orm n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 23 N 0.00 -1.40 3.35 -0.02 0.00 -1.25 0.13 105.19 106.00 1orm n GLY 23 Ca 0.00 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1orm n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1orm s PHE 24 N -1.72 2.63 -0.41 1.61 -0.71 -1.26 -3.67 117.98 114.45 1orm s PHE 24 Ca 0.00 -0.57 -0.24 0.00 -1.04 0.00 0.00 56.93 55.08 1orm s PHE 24 Cb 0.00 -1.69 0.02 0.00 -1.21 0.00 0.00 43.02 40.14 1orm s PHE 24 CO 0.00 -0.12 0.84 1.21 -1.34 0.00 0.00 175.22 175.82 1orm s ASN 25 N -0.14 6.52 -0.21 1.98 3.84 -1.26 -4.70 114.94 120.97 1orm s ASN 25 Ca -0.03 0.21 -0.06 0.00 0.21 0.00 0.00 52.86 53.19 1orm s ASN 25 Cb -0.14 -2.42 -0.03 0.00 -0.55 0.00 0.00 41.25 38.11 1orm s ASN 25 CO 0.04 -0.88 0.04 -0.22 -2.79 0.00 0.00 177.10 173.29 1orm s LEU 26 N 3.38 3.47 -0.09 3.21 2.96 -1.26 -3.87 118.68 126.49 1orm s LEU 26 Ca 0.34 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 1orm s LEU 26 Cb -0.12 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1orm s LEU 26 CO 0.21 0.06 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.59 1orm s LYS 27 N 1.04 2.34 -0.23 1.98 1.02 -1.26 -4.45 119.74 120.17 1orm s LYS 27 Ca 0.03 -0.63 -0.09 0.00 0.02 0.00 0.00 55.97 55.31 1orm s LYS 27 Cb -0.14 -1.86 0.10 0.00 -0.52 0.00 0.00 37.83 35.41 1orm s LYS 27 CO 0.03 0.06 0.51 1.52 -0.92 0.00 0.00 175.35 176.55 1orm s TYR 28 N 0.61 -0.97 0.22 3.18 1.13 -1.26 -3.93 117.35 116.33 1orm s TYR 28 Ca -0.14 1.80 0.03 0.00 -1.41 0.00 0.00 57.07 57.34 1orm s TYR 28 Cb -0.16 0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 41.17 1orm s TYR 28 CO 0.04 -0.53 0.23 0.54 -2.51 0.00 0.00 175.55 173.33 1orm n ARG 29 N 5.24 0.34 -3.03 -3.49 5.12 -1.26 -4.39 116.66 115.19 1orm n ARG 29 Ca -0.12 -2.01 0.02 0.00 -1.93 0.00 0.00 57.85 53.82 1orm n ARG 29 Cb 0.50 1.75 -0.00 0.00 -1.16 0.00 0.00 32.46 33.55 1orm n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1orm s TYR 30 N -3.17 -1.12 -0.25 -1.55 5.04 -1.24 -3.99 117.35 111.07 1orm s TYR 30 Ca 0.23 0.25 -0.03 0.00 -2.44 0.00 0.00 57.07 55.08 1orm s TYR 30 Cb 0.01 0.20 0.14 0.00 0.35 0.00 0.00 41.96 42.66 1orm s TYR 30 CO 0.16 -0.74 0.45 -2.00 -1.34 0.00 0.00 175.55 172.08 1orm s GLU 31 N 2.07 0.40 -0.30 4.97 2.56 -1.26 -4.93 118.70 122.21 1orm s GLU 31 Ca 0.16 0.77 -0.11 0.00 0.00 0.00 0.00 54.97 55.79 1orm s GLU 31 Cb -0.02 -0.04 0.13 0.00 2.00 0.00 0.00 34.13 36.21 1orm s GLU 31 CO -0.13 -0.55 0.72 -1.83 -0.56 0.00 0.00 175.26 172.92 1orm s GLU 32 N 2.64 0.53 -0.39 4.30 4.04 -1.26 -3.68 118.70 124.88 1orm s GLU 32 Ca 0.11 1.30 -0.20 0.00 0.04 0.00 0.00 54.97 56.22 1orm s GLU 32 Cb -0.15 0.75 0.03 0.00 0.02 0.00 0.00 34.13 34.78 1orm s GLU 32 CO -0.17 -0.18 0.51 -0.25 -1.84 0.00 0.00 175.26 173.34 1orm n ASP 33 N 5.29 -7.15 0.00 0.83 9.92 -1.26 -4.84 116.55 119.33 1orm n ASP 33 Ca -0.12 0.43 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1orm n ASP 33 Cb 0.50 -4.04 0.00 0.00 -0.64 0.00 0.00 41.12 36.95 1orm n ASP 33 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1orm n ASN 34 N -0.05 0.00 -3.63 -2.24 2.85 -1.26 -5.13 115.26 105.80 1orm n ASN 34 Ca 0.04 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.49 1orm n ASN 34 Cb 0.48 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.43 1orm n ASN 34 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1orm s SER 35 N 0.00 -0.45 -0.72 1.20 0.15 -1.26 -5.04 113.70 107.58 1orm s SER 35 Ca 0.00 0.72 -0.06 0.00 0.70 0.00 0.00 55.95 57.30 1orm s SER 35 Cb 0.00 1.20 -0.12 0.00 -1.71 0.00 0.00 66.02 65.39 1orm s SER 35 CO 0.00 -0.11 2.63 -0.81 1.20 0.00 0.00 173.24 176.15 1orm n PRO 36 N 3.68 2.26 -3.54 5.44 -0.04 -1.26 -4.61 135.00 136.92 1orm n PRO 36 Ca -0.18 -1.35 0.01 0.00 -0.04 0.00 0.00 63.50 61.94 1orm n PRO 36 Cb 0.57 -2.30 -0.06 0.00 -0.04 0.00 0.00 33.50 31.67 1orm n PRO 36 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1orm s LEU 37 N 0.07 -0.27 0.00 1.53 0.05 -1.26 -4.65 118.68 114.15 1orm s LEU 37 Ca 0.52 0.42 0.00 0.00 0.05 0.00 0.00 54.13 55.11 1orm s LEU 37 Cb 0.18 1.37 0.00 0.00 -2.05 0.00 0.00 46.19 45.69 1orm s LEU 37 CO -0.03 -0.06 0.00 0.61 -0.55 0.00 0.00 176.35 176.32 1orm n GLY 38 N 3.76 4.79 2.88 -3.48 0.00 -1.26 -4.96 105.19 106.91 1orm n GLY 38 Ca -0.15 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 1orm n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 39 N -1.15 1.58 -0.47 1.61 0.11 -1.26 -4.84 120.40 115.98 1orm s VAL 39 Ca 0.00 -1.89 -0.24 0.00 -2.93 0.00 0.00 61.98 56.92 1orm s VAL 39 Cb 0.00 -2.18 0.03 0.00 -1.53 0.00 0.00 36.38 32.70 1orm s VAL 39 CO 0.00 -0.64 0.85 -0.63 -3.33 0.00 0.00 175.10 171.34 1orm s ILE 40 N 1.24 4.56 -0.14 7.04 1.01 -1.26 -4.84 121.20 128.82 1orm s ILE 40 Ca 0.10 0.49 -0.03 0.00 0.00 0.00 0.00 60.65 61.22 1orm s ILE 40 Cb -0.18 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 1orm s ILE 40 CO -0.16 -0.81 -0.06 -0.83 0.00 0.00 0.00 174.94 173.08 1orm s GLY 41 N 2.27 1.67 -0.23 6.18 0.00 -1.26 -4.29 107.32 111.66 1orm s GLY 41 Ca 0.32 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 1orm s GLY 41 CO 0.23 -0.14 0.08 -0.56 0.00 0.00 0.00 173.10 172.72 1orm s SER 42 N 0.28 3.08 -0.37 1.64 0.01 -1.26 -4.31 113.70 112.77 1orm s SER 42 Ca -0.05 -1.00 -0.04 0.00 1.31 0.00 0.00 55.95 56.17 1orm s SER 42 Cb -0.14 -0.47 0.07 0.00 0.21 0.00 0.00 66.02 65.69 1orm s SER 42 CO 0.04 -0.37 0.13 0.12 0.41 0.00 0.00 173.24 173.57 1orm s PHE 43 N 1.96 3.40 0.09 2.43 5.36 -1.26 -4.53 117.98 125.43 1orm s PHE 43 Ca 0.04 -1.95 0.01 0.00 -0.96 0.00 0.00 56.93 54.08 1orm s PHE 43 Cb -0.17 -2.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.79 1orm s PHE 43 CO -0.18 -0.86 -0.06 -0.08 -1.46 0.00 0.00 175.22 172.57 1orm s THR 44 N 1.26 0.62 0.28 0.12 -1.32 -1.26 -4.74 115.64 110.60 1orm s THR 44 Ca 0.02 -1.84 0.09 0.00 -1.21 0.00 0.00 61.69 58.75 1orm s THR 44 Cb -0.21 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.18 1orm s THR 44 CO -0.01 -0.84 0.05 -0.31 -2.21 0.00 0.00 174.62 171.30 1orm s TYR 45 N -3.43 2.74 -0.28 9.09 1.51 -1.26 -4.66 117.35 121.06 1orm s TYR 45 Ca 0.09 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1orm s TYR 45 Cb 0.04 -1.30 0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1orm s TYR 45 CO -0.05 0.56 -0.04 0.99 -1.11 0.00 0.00 175.55 175.90 1orm s THR 46 N -2.32 2.83 -1.27 -0.71 2.01 -1.19 -3.85 115.64 111.14 1orm s THR 46 Ca 0.33 -1.30 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 1orm s THR 46 Cb -0.06 -2.57 0.09 0.00 0.01 0.00 0.00 72.50 69.97 1orm s THR 46 CO 0.21 0.01 1.68 -0.70 -0.69 0.00 0.00 174.62 175.12 1orm s GLU 47 N 1.26 3.99 0.02 4.92 2.56 0.34 -4.51 118.70 127.27 1orm s GLU 47 Ca -0.04 -2.06 0.02 0.00 0.00 0.00 0.00 54.97 52.89 1orm s GLU 47 Cb -0.19 -5.46 -0.02 0.00 2.00 0.00 0.00 34.13 30.47 1orm s GLU 47 CO -0.03 -2.18 -0.07 0.15 -0.56 0.00 0.00 175.26 172.57 1orm s LYS 48 N 3.83 0.52 0.60 4.30 1.02 -1.26 -4.02 119.74 124.72 1orm s LYS 48 Ca 0.52 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 56.00 1orm s LYS 48 Cb 0.03 -0.40 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1orm s LYS 48 CO 0.06 0.09 0.00 0.43 -0.92 0.00 0.00 175.35 175.01 1orm n SER 49 N 2.14 -7.72 0.00 2.83 7.64 -1.26 -5.01 113.62 112.25 1orm n SER 49 Ca -0.18 1.22 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1orm n SER 49 Cb 0.56 -3.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.32 1orm n SER 49 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1orm n ARG 50 N -3.71 0.00 -3.97 1.43 1.85 -1.26 -5.05 116.66 105.96 1orm n ARG 50 Ca 0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.54 1orm n ARG 50 Cb 0.52 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.79 1orm n ARG 50 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1orm s THR 51 N -2.00 2.50 -0.34 8.89 -1.32 -1.26 -4.64 115.64 117.47 1orm s THR 51 Ca 0.00 -2.43 0.13 0.00 -1.21 0.00 0.00 61.69 58.18 1orm s THR 51 Cb 0.00 -2.81 0.46 0.00 -1.51 0.00 0.00 72.50 68.64 1orm s THR 51 CO 0.00 -0.64 1.07 0.00 -2.21 0.00 0.00 174.62 172.84 1orm n ALA 52 N 4.16 4.02 0.09 11.08 0.00 -1.26 -4.81 120.51 133.78 1orm n ALA 52 Ca 0.03 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1orm n ALA 52 Cb 0.41 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1orm n ALA 52 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm n SER 53 N -0.41 -1.60 -1.29 0.00 2.88 -1.26 -5.01 113.62 106.92 1orm n SER 53 Ca 0.24 0.39 -0.02 0.00 -1.33 0.00 0.00 58.87 58.15 1orm n SER 53 Cb 0.80 1.74 0.01 0.00 -0.75 0.00 0.00 64.21 66.00 1orm n SER 53 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1orm n SER 54 N -2.79 -0.59 -3.04 -3.46 3.41 -1.26 -5.05 113.62 100.84 1orm n SER 54 Ca 0.00 -1.24 -0.15 0.00 -0.26 0.00 0.00 58.87 57.22 1orm n SER 54 Cb 0.00 0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1orm n GLY 55 N -0.32 -0.98 2.34 5.00 0.00 -1.26 -4.92 105.19 105.05 1orm n GLY 55 Ca -0.12 1.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.83 1orm n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1orm n ASP 56 N -0.46 1.70 0.00 1.61 5.68 -1.26 -4.09 116.55 119.73 1orm n ASP 56 Ca 0.05 -3.07 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 1orm n ASP 56 Cb 0.52 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1orm n ASP 56 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1orm n TYR 57 N 0.75 -1.64 -3.59 2.11 9.36 -1.26 -5.07 117.16 117.82 1orm n TYR 57 Ca 0.25 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.43 1orm n TYR 57 Cb 0.52 0.34 -0.02 0.00 -0.63 0.00 0.00 39.34 39.55 1orm n TYR 57 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1orm s ASN 58 N -1.65 -0.15 0.30 2.98 3.84 -1.26 -4.61 114.94 114.39 1orm s ASN 58 Ca 0.00 0.01 0.03 0.00 0.21 0.00 0.00 52.86 53.10 1orm s ASN 58 Cb 0.00 0.16 -0.04 0.00 -0.55 0.00 0.00 41.25 40.81 1orm s ASN 58 CO 0.00 -0.25 0.12 -0.54 -2.79 0.00 0.00 177.10 173.64 1orm s LYS 59 N -2.42 1.57 0.62 0.43 -0.14 -1.26 -4.24 119.74 114.30 1orm s LYS 59 Ca 0.09 -1.89 0.00 0.00 -1.36 0.00 0.00 55.97 52.81 1orm s LYS 59 Cb -0.01 -0.33 0.00 0.00 -1.68 0.00 0.00 37.83 35.81 1orm s LYS 59 CO -0.05 -0.36 0.00 -1.71 -0.76 0.00 0.00 175.35 172.47 1orm n ASN 60 N -0.76 -8.02 -5.00 2.83 2.85 -1.26 -4.72 115.26 101.17 1orm n ASN 60 Ca -0.01 1.59 -0.20 0.00 -0.11 0.00 0.00 54.58 55.85 1orm n ASN 60 Cb 0.66 -5.07 0.04 0.00 1.24 0.00 0.00 39.78 36.64 1orm n ASN 60 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1orm s GLN 61 N -4.67 2.42 0.05 1.20 1.11 -1.26 -5.04 119.66 113.47 1orm s GLN 61 Ca 0.00 -1.61 -0.11 0.00 0.01 0.00 0.00 55.36 53.65 1orm s GLN 61 Cb 0.00 -2.58 -0.06 0.00 -1.01 0.00 0.00 33.01 29.37 1orm s GLN 61 CO 0.00 -0.66 0.39 -0.47 0.01 0.00 0.00 175.29 174.56 1orm s TYR 62 N -2.60 3.62 -0.07 0.91 6.14 -1.26 -5.04 117.35 119.05 1orm s TYR 62 Ca 0.56 0.84 0.01 0.00 0.64 0.00 0.00 57.07 59.11 1orm s TYR 62 Cb -0.06 -2.19 0.02 0.00 0.42 0.00 0.00 41.96 40.15 1orm s TYR 62 CO 0.35 0.56 -0.07 0.71 0.64 0.00 0.00 175.55 177.74 1orm s TYR 63 N -1.30 1.08 -0.02 4.97 2.02 -1.26 -4.29 117.35 118.54 1orm s TYR 63 Ca 0.30 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.63 1orm s TYR 63 Cb -0.15 -0.90 -0.00 0.00 -0.40 0.00 0.00 41.96 40.51 1orm s TYR 63 CO 0.16 -0.29 -0.09 0.20 -1.57 0.00 0.00 175.55 173.96 1orm s GLY 64 N 1.11 0.51 -0.29 0.71 0.00 -1.26 -4.45 107.32 103.65 1orm s GLY 64 Ca -0.07 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.31 1orm s GLY 64 CO -0.01 -0.17 -0.03 -1.50 0.00 0.00 0.00 173.10 171.40 1orm s ILE 65 N 0.06 1.97 0.16 0.90 2.07 -1.26 -4.75 121.20 120.35 1orm s ILE 65 Ca -0.01 -1.78 -0.04 0.00 -1.41 0.00 0.00 60.65 57.41 1orm s ILE 65 Cb -0.07 -2.27 -0.05 0.00 0.13 0.00 0.00 42.46 40.19 1orm s ILE 65 CO 0.00 -0.29 0.38 -0.89 -1.91 0.00 0.00 174.94 172.23 1orm s THR 66 N 1.13 5.18 0.07 4.00 2.01 -1.26 -4.55 115.64 122.22 1orm s THR 66 Ca 0.00 -0.08 -0.22 0.00 0.31 0.00 0.00 61.69 61.70 1orm s THR 66 Cb -0.19 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.72 1orm s THR 66 CO -0.08 -0.03 0.52 0.00 -0.69 0.00 0.00 174.62 174.35 1orm s ALA 67 N -1.72 -1.32 0.00 7.40 0.00 -1.20 -4.48 121.76 120.43 1orm s ALA 67 Ca 0.40 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1orm s ALA 67 Cb -0.12 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1orm s ALA 67 CO 0.26 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1orm n GLY 68 N 0.26 1.69 3.76 0.00 0.00 -1.26 -3.78 105.19 105.86 1orm n GLY 68 Ca -0.18 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1orm n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1orm s PRO 69 N -2.00 -0.44 -0.26 1.61 0.04 -1.26 -4.35 135.00 128.33 1orm s PRO 69 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1orm s PRO 69 Cb 0.00 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.87 1orm s PRO 69 CO 0.00 -3.15 -0.07 0.00 0.04 0.00 0.00 177.00 173.82 1orm s ALA 70 N -3.48 2.67 -0.20 8.56 0.00 -1.26 -4.93 121.76 123.12 1orm s ALA 70 Ca 0.73 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1orm s ALA 70 Cb -0.06 -1.70 0.06 0.00 0.00 0.00 0.00 23.12 21.43 1orm s ALA 70 CO 0.55 -1.06 0.05 -0.47 0.00 0.00 0.00 175.76 174.83 1orm s TYR 71 N 1.22 0.83 -0.08 0.00 5.04 -1.26 -4.63 117.35 118.48 1orm s TYR 71 Ca -0.04 -0.77 -0.00 0.00 -2.44 0.00 0.00 57.07 53.81 1orm s TYR 71 Cb -0.19 -0.97 -0.00 0.00 0.35 0.00 0.00 41.96 41.15 1orm s TYR 71 CO -0.04 -0.61 -0.00 -0.09 -1.34 0.00 0.00 175.55 173.47 1orm h ARG 72 N 8.28 0.00 0.00 4.97 2.43 -1.94 -3.23 114.38 124.89 1orm h ARG 72 Ca -0.16 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1orm h ARG 72 Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1orm h ARG 72 CO 0.34 0.00 -0.02 1.51 -1.51 0.00 0.00 179.97 180.29 1orm n ILE 73 N -4.08 0.00 -1.39 1.20 0.13 -1.26 -4.15 119.36 109.81 1orm n ILE 73 Ca -0.00 0.00 0.16 0.00 -1.10 0.00 0.00 62.75 61.81 1orm n ILE 73 Cb 0.01 -0.02 -0.08 0.00 -0.84 0.00 0.00 39.64 38.70 1orm n ILE 73 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1orm n ASN 74 N -3.77 -7.46 -0.23 9.51 5.15 -1.26 -3.83 115.26 113.37 1orm n ASN 74 Ca 0.00 1.26 0.01 0.00 -0.60 0.00 0.00 54.58 55.25 1orm n ASN 74 Cb 0.03 -4.69 0.08 0.00 -0.53 0.00 0.00 39.78 34.67 1orm n ASN 74 CO 0.00 0.00 0.00 -2.24 1.40 0.00 0.00 177.26 176.42 1orm h ASP 75 N -1.41 -0.54 0.00 1.20 2.03 -2.04 -3.38 116.42 112.28 1orm h ASP 75 Ca -0.16 0.19 -0.11 0.00 -0.73 0.00 0.00 57.03 56.22 1orm h ASP 75 Cb 1.30 0.39 -0.11 0.00 -0.83 0.00 0.00 39.33 40.08 1orm h ASP 75 CO 0.06 -0.20 0.07 -2.67 -1.03 0.00 0.00 179.24 175.47 1orm n TRP 76 N -5.42 -0.65 -3.63 4.15 4.27 -1.26 -5.12 117.44 109.78 1orm n TRP 76 Ca 0.09 -0.87 -0.27 0.00 -3.89 0.00 0.00 57.50 52.56 1orm n TRP 76 Cb 0.36 1.23 -0.16 0.00 -1.36 0.00 0.00 31.31 31.37 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1orm s ALA 77 N 0.06 0.63 0.91 -1.67 0.00 -1.25 -5.12 121.76 115.31 1orm s ALA 77 Ca 0.14 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.43 1orm s ALA 77 Cb 0.22 -1.14 0.14 0.00 0.00 0.00 0.00 23.12 22.33 1orm s ALA 77 CO -0.12 -1.27 1.12 -1.12 0.00 0.00 0.00 175.76 174.37 1orm s SER 78 N 2.05 3.13 0.13 0.00 0.01 -1.26 -4.55 113.70 113.20 1orm s SER 78 Ca 0.03 1.98 0.10 0.00 1.31 0.00 0.00 55.95 59.37 1orm s SER 78 Cb -0.16 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1orm s SER 78 CO -0.14 -2.94 -0.22 0.27 0.41 0.00 0.00 173.24 170.62 1orm s ILE 79 N -2.71 2.56 0.45 1.44 -5.25 -1.22 -4.87 121.20 111.60 1orm s ILE 79 Ca 0.65 -1.65 -0.14 0.00 -0.99 0.00 0.00 60.65 58.52 1orm s ILE 79 Cb -0.21 -2.16 -0.08 0.00 2.95 0.00 0.00 42.46 42.96 1orm s ILE 79 CO 0.58 0.08 0.88 -0.72 -1.79 0.00 0.00 174.94 173.97 1orm s TYR 80 N -1.15 3.44 -0.31 1.37 1.13 -1.26 -4.85 117.35 115.73 1orm s TYR 80 Ca 0.16 1.30 0.01 0.00 -1.41 0.00 0.00 57.07 57.13 1orm s TYR 80 Cb -0.10 -2.64 0.04 0.00 -1.10 0.00 0.00 41.96 38.16 1orm s TYR 80 CO 0.08 -0.22 1.05 0.41 -2.51 0.00 0.00 175.55 174.36 1orm n GLY 81 N -1.32 -0.97 3.06 5.49 0.00 -1.26 -4.96 105.19 105.22 1orm n GLY 81 Ca 0.05 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1orm n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1orm s VAL 82 N 0.01 3.29 0.12 1.61 -7.23 -1.26 -4.15 120.40 112.79 1orm s VAL 82 Ca 0.02 -2.91 -0.02 0.00 -1.81 0.00 0.00 61.98 57.27 1orm s VAL 82 Cb 0.04 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 1orm s VAL 82 CO -0.02 -0.82 0.31 0.68 -0.31 0.00 0.00 175.10 174.94 1orm s VAL 83 N 0.08 5.27 -0.04 1.32 -7.23 -1.25 -3.73 120.40 114.83 1orm s VAL 83 Ca 0.16 -0.23 -0.24 0.00 -1.81 0.00 0.00 61.98 59.85 1orm s VAL 83 Cb -0.22 -3.65 0.05 0.00 0.56 0.00 0.00 36.38 33.12 1orm s VAL 83 CO -0.03 0.04 0.52 -0.83 -0.31 0.00 0.00 175.10 174.50 1orm s GLY 84 N -2.61 -0.40 -0.01 2.32 0.00 0.22 -3.25 107.32 103.60 1orm s GLY 84 Ca 0.38 0.91 0.02 0.00 0.00 0.00 0.00 44.72 46.02 1orm s GLY 84 CO 0.27 0.61 -0.06 0.54 0.00 0.00 0.00 173.10 174.46 1orm s VAL 85 N -1.24 0.48 0.10 1.40 0.11 -1.26 -1.81 120.40 118.19 1orm s VAL 85 Ca -0.12 -0.25 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 1orm s VAL 85 Cb -0.02 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1orm s VAL 85 CO 0.08 0.14 0.11 -0.83 -3.33 0.00 0.00 175.10 171.26 1orm s GLY 86 N -0.10 1.95 -0.24 6.54 0.00 -1.26 -4.45 107.32 109.76 1orm s GLY 86 Ca 0.02 -1.05 -0.34 0.00 0.00 0.00 0.00 44.72 43.35 1orm s GLY 86 CO -0.00 -1.04 1.27 -0.47 0.00 0.00 0.00 173.10 172.86 1orm s TYR 87 N -1.50 -0.10 0.00 1.90 5.04 -1.26 -3.98 117.35 117.45 1orm s TYR 87 Ca 0.30 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1orm s TYR 87 Cb -0.12 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.69 1orm s TYR 87 CO 0.23 -0.13 0.00 0.41 -1.34 0.00 0.00 175.55 174.72 1orm n GLY 88 N 0.16 -0.43 3.18 8.97 0.00 -1.26 -4.75 105.19 111.06 1orm n GLY 88 Ca 0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1orm n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1orm n LYS 89 N -1.22 3.47 -3.67 1.61 5.02 -1.26 -4.96 118.16 117.15 1orm n LYS 89 Ca 0.00 -4.49 -0.09 0.00 -2.02 0.00 0.00 58.31 51.71 1orm n LYS 89 Cb 0.00 -2.50 -0.09 0.00 -0.02 0.00 0.00 35.03 32.42 1orm n LYS 89 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1orm s PHE 90 N -1.67 -0.82 0.00 2.13 -0.12 -1.26 -4.96 117.98 111.28 1orm s PHE 90 Ca 0.31 1.67 0.00 0.00 -0.05 0.00 0.00 56.93 58.85 1orm s PHE 90 Cb -0.05 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1orm s PHE 90 CO -0.05 -0.43 0.00 0.94 -0.05 0.00 0.00 175.22 175.62 1orm n GLN 91 N 4.38 0.00 -3.80 1.99 -0.06 -1.26 -5.00 117.38 113.63 1orm n GLN 91 Ca -0.21 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.55 1orm n GLN 91 Cb 0.56 0.00 -0.17 0.00 -4.06 0.00 0.00 30.24 26.57 1orm n GLN 91 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1orm s THR 92 N 0.00 0.56 -0.36 1.69 2.01 -1.26 -4.66 115.64 113.61 1orm s THR 92 Ca 0.00 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1orm s THR 92 Cb 0.00 -0.71 0.15 0.00 0.01 0.00 0.00 72.50 71.94 1orm s THR 92 CO 0.00 0.24 0.26 0.28 -0.69 0.00 0.00 174.62 174.72 1orm s THR 93 N 1.89 -0.01 -0.05 -0.82 -1.32 -1.26 -3.44 115.64 110.63 1orm s THR 93 Ca 0.04 -1.51 0.02 0.00 -1.21 0.00 0.00 61.69 59.03 1orm s THR 93 Cb -0.13 -0.98 0.06 0.00 -1.51 0.00 0.00 72.50 69.95 1orm s THR 93 CO -0.06 -0.87 0.61 1.21 -2.21 0.00 0.00 174.62 173.29 1orm n GLU 94 N 4.06 0.20 -3.85 7.08 2.13 -1.26 -4.05 120.64 124.96 1orm n GLU 94 Ca 0.12 -0.47 -0.07 0.00 0.66 0.00 0.00 57.16 57.40 1orm n GLU 94 Cb 0.40 0.40 -0.02 0.00 0.27 0.00 0.00 31.44 32.48 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1orm s TYR 95 N 0.02 -0.16 -1.11 4.31 2.02 -1.26 -5.06 117.35 116.11 1orm s TYR 95 Ca 0.01 -0.28 -0.18 0.00 -0.37 0.00 0.00 57.07 56.25 1orm s TYR 95 Cb 0.07 0.66 -0.06 0.00 -0.40 0.00 0.00 41.96 42.22 1orm s TYR 95 CO -0.02 -1.20 2.04 -0.35 -1.57 0.00 0.00 175.55 174.46 1orm n PRO 96 N -0.45 2.17 -1.85 -1.71 -0.04 -1.26 -4.26 135.00 127.61 1orm n PRO 96 Ca -0.04 -2.28 -0.02 0.00 -0.04 0.00 0.00 63.50 61.12 1orm n PRO 96 Cb 0.60 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1orm n PRO 96 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1orm n THR 97 N 5.74 -4.47 0.02 0.52 -1.04 -1.26 -5.05 114.28 108.74 1orm n THR 97 Ca 0.50 0.30 -0.01 0.00 -2.04 0.00 0.00 64.05 62.81 1orm n THR 97 Cb 0.40 -4.85 -0.00 0.00 -1.82 0.00 0.00 70.33 64.06 1orm n THR 97 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1orm n TYR 98 N -0.29 0.00 -1.44 -1.42 4.02 -1.26 -5.12 117.16 111.65 1orm n TYR 98 Ca 0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.94 1orm n TYR 98 Cb 0.09 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.38 1orm n TYR 98 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1orm n LYS 99 N -3.32 -0.45 -0.02 -0.72 2.85 -1.22 -4.80 118.16 110.47 1orm n LYS 99 Ca -0.01 0.30 -0.05 0.00 -1.05 0.00 0.00 58.31 57.49 1orm n LYS 99 Cb 0.24 -0.55 -0.02 0.00 -0.65 0.00 0.00 35.03 34.05 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1orm n ASN 100 N -3.92 0.43 -2.88 -5.58 5.15 -1.26 -4.77 115.26 102.43 1orm n ASN 100 Ca 0.00 0.06 -0.08 0.00 -0.60 0.00 0.00 54.58 53.96 1orm n ASN 100 Cb 0.10 -0.14 0.04 0.00 -0.53 0.00 0.00 39.78 39.25 1orm n ASN 100 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1orm n ASP 101 N -3.21 -6.16 -3.07 1.20 2.03 -1.26 -4.98 116.55 101.10 1orm n ASP 101 Ca -0.10 -0.40 -0.25 0.00 0.52 0.00 0.00 54.79 54.56 1orm n ASP 101 Cb 0.57 -4.43 -0.05 0.00 -0.72 0.00 0.00 41.12 36.49 1orm n ASP 101 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1orm n THR 102 N -2.47 2.18 -1.40 5.18 -2.24 -1.26 -5.06 114.28 109.21 1orm n THR 102 Ca -0.04 -5.27 -0.57 0.00 -2.27 0.00 0.00 64.05 55.91 1orm n THR 102 Cb 0.56 -1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 67.39 1orm n THR 102 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1orm n SER 103 N 0.09 1.48 -4.17 3.42 7.64 -1.26 -4.90 113.62 115.91 1orm n SER 103 Ca 0.29 0.65 -0.11 0.00 1.01 0.00 0.00 58.87 60.72 1orm n SER 103 Cb 0.45 -1.06 -0.10 0.00 -1.01 0.00 0.00 64.21 62.49 1orm n SER 103 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1orm s ASP 104 N 6.07 0.90 -0.26 6.43 2.15 -1.26 -5.14 116.67 125.56 1orm s ASP 104 Ca 1.13 -1.09 -0.06 0.00 0.43 0.00 0.00 52.55 52.95 1orm s ASP 104 Cb -1.21 0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 41.55 1orm s ASP 104 CO 0.61 -0.57 0.05 -0.31 -0.17 0.00 0.00 175.17 174.78 1orm s TYR 105 N -3.76 3.08 0.42 -5.34 2.02 -1.26 -4.78 117.35 107.73 1orm s TYR 105 Ca 0.17 -0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 56.01 1orm s TYR 105 Cb 0.06 -2.22 -0.09 0.00 -0.40 0.00 0.00 41.96 39.32 1orm s TYR 105 CO -0.02 -0.46 0.87 0.20 -1.57 0.00 0.00 175.55 174.57 1orm s GLY 106 N 1.55 2.18 -0.56 0.71 0.00 -1.26 -4.95 107.32 105.00 1orm s GLY 106 Ca 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 1orm s GLY 106 CO 0.02 0.35 0.38 -0.12 0.00 0.00 0.00 173.10 173.73 1orm s PHE 107 N -2.31 3.48 -0.25 1.90 5.36 -1.26 -4.29 117.98 120.60 1orm s PHE 107 Ca 0.57 -2.51 -0.03 0.00 -0.96 0.00 0.00 56.93 54.00 1orm s PHE 107 Cb -0.10 -3.27 0.02 0.00 -0.34 0.00 0.00 43.02 39.33 1orm s PHE 107 CO 0.24 -0.90 -0.04 0.45 -1.46 0.00 0.00 175.22 173.50 1orm s SER 108 N 1.29 4.42 -0.26 6.13 0.15 -0.75 -4.40 113.70 120.29 1orm s SER 108 Ca 0.13 -0.81 -0.32 0.00 0.70 0.00 0.00 55.95 55.65 1orm s SER 108 Cb -0.21 -1.70 0.17 0.00 -1.71 0.00 0.00 66.02 62.57 1orm s SER 108 CO -0.04 -0.13 1.31 -0.72 1.20 0.00 0.00 173.24 174.86 1orm s TYR 109 N 1.36 -0.08 0.53 3.44 1.13 -1.25 0.70 117.35 123.18 1orm s TYR 109 Ca 0.01 0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.78 1orm s TYR 109 Cb -0.16 0.50 0.00 0.00 -1.10 0.00 0.00 41.96 41.19 1orm s TYR 109 CO -0.03 -0.09 0.03 0.20 -2.51 0.00 0.00 175.55 173.15 1orm s GLY 110 N -1.40 3.07 0.30 5.49 0.00 -1.24 -4.37 107.32 109.16 1orm s GLY 110 Ca 0.09 -0.13 0.09 0.00 0.00 0.00 0.00 44.72 44.77 1orm s GLY 110 CO -0.06 -2.20 0.01 0.00 0.00 0.00 0.00 173.10 170.86 1orm s ALA 111 N -2.90 3.21 -0.27 3.20 0.00 -1.26 -4.67 121.76 119.06 1orm s ALA 111 Ca 0.03 -1.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.10 1orm s ALA 111 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1orm s ALA 111 CO 0.02 0.18 0.28 0.20 0.00 0.00 0.00 175.76 176.44 1orm s GLY 112 N -3.70 1.91 -0.46 0.00 0.00 -1.26 -4.32 107.32 99.49 1orm s GLY 112 Ca 0.33 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 44.16 1orm s GLY 112 CO 0.20 0.80 0.94 -0.10 0.00 0.00 0.00 173.10 174.94 1orm n LEU 113 N 5.14 -2.63 -4.70 0.66 7.94 -1.26 -4.87 117.00 117.28 1orm n LEU 113 Ca -0.11 -2.89 -0.35 0.00 -1.11 0.00 0.00 56.01 51.54 1orm n LEU 113 Cb 0.51 0.77 -0.09 0.00 0.53 0.00 0.00 43.42 45.14 1orm n LEU 113 CO 0.35 1.88 -0.27 0.00 -1.11 0.00 0.00 177.39 178.25 1orm s GLN 114 N 0.62 3.39 0.52 1.96 -2.07 -1.26 -3.57 119.66 119.25 1orm s GLN 114 Ca 0.30 -0.34 0.06 0.00 -1.82 0.00 0.00 55.36 53.57 1orm s GLN 114 Cb 0.19 -3.00 0.05 0.00 -1.09 0.00 0.00 33.01 29.17 1orm s GLN 114 CO -0.19 0.57 0.72 0.12 -1.32 0.00 0.00 175.29 175.19 1orm s PHE 115 N -0.50 2.29 0.34 9.60 5.36 -1.26 -5.00 117.98 128.81 1orm s PHE 115 Ca 0.10 -0.41 -0.23 0.00 -0.96 0.00 0.00 56.93 55.43 1orm s PHE 115 Cb -0.12 -2.47 -0.10 0.00 -0.34 0.00 0.00 43.02 39.99 1orm s PHE 115 CO 0.02 -0.86 0.90 1.21 -1.46 0.00 0.00 175.22 175.03 1orm s ASN 116 N -4.50 7.16 0.43 6.13 2.47 -1.26 -4.85 114.94 120.51 1orm s ASN 116 Ca 0.59 1.70 -0.23 0.00 0.42 0.00 0.00 52.86 55.34 1orm s ASN 116 Cb -0.08 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 37.10 1orm s ASN 116 CO 0.37 -0.14 1.05 -2.16 -3.72 0.00 0.00 177.10 172.50 1orm s PRO 117 N -2.41 4.04 -0.20 0.43 0.04 -1.26 -5.00 135.00 130.65 1orm s PRO 117 Ca 0.53 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 1orm s PRO 117 Cb -0.15 -2.40 -0.07 0.00 0.04 0.00 0.00 34.50 31.91 1orm s PRO 117 CO 0.20 -0.24 -0.34 -0.12 0.04 0.00 0.00 177.00 176.54 1orm n MET 118 N -0.35 0.54 0.04 4.56 1.56 -1.26 -4.95 117.12 117.25 1orm n MET 118 Ca 0.06 0.23 -0.00 0.00 -0.27 0.00 0.00 57.70 57.72 1orm n MET 118 Cb 0.50 -1.45 -0.00 0.00 2.15 0.00 0.00 33.22 34.42 1orm n MET 118 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1orm n GLU 119 N -4.43 0.02 -2.70 2.12 2.13 -1.26 -5.03 120.64 111.50 1orm n GLU 119 Ca -0.22 0.01 -0.05 0.00 0.66 0.00 0.00 57.16 57.56 1orm n GLU 119 Cb 0.58 -0.53 0.05 0.00 0.27 0.00 0.00 31.44 31.81 1orm n GLU 119 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1orm n ASN 120 N -3.43 -1.95 -3.64 4.31 3.02 -1.26 -5.15 115.26 107.17 1orm n ASN 120 Ca -0.01 -1.93 -0.08 0.00 -0.03 0.00 0.00 54.58 52.54 1orm n ASN 120 Cb 0.11 1.06 -0.07 0.00 -0.61 0.00 0.00 39.78 40.28 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1orm s VAL 121 N 0.61 0.00 -0.29 2.41 0.11 -1.26 -5.01 120.40 116.98 1orm s VAL 121 Ca 0.27 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.29 1orm s VAL 121 Cb 0.15 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 34.10 1orm s VAL 121 CO -0.11 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 171.77 1orm s ALA 122 N 0.03 0.89 0.05 1.54 0.00 -1.05 -4.40 121.76 118.82 1orm s ALA 122 Ca 0.04 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 1orm s ALA 122 Cb -0.04 -1.43 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 1orm s ALA 122 CO -0.08 -1.61 0.51 -0.51 0.00 0.00 0.00 175.76 174.06 1orm s LEU 123 N 1.95 4.49 0.04 0.00 1.43 -1.26 -4.14 118.68 121.19 1orm s LEU 123 Ca 0.09 1.13 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 1orm s LEU 123 Cb -0.16 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.20 1orm s LEU 123 CO -0.31 0.28 -0.21 1.51 0.23 0.00 0.00 176.35 177.85 1orm s ASP 124 N -1.17 3.61 -0.36 2.29 1.47 -1.26 -4.19 116.67 117.06 1orm s ASP 124 Ca 0.28 -0.47 0.01 0.00 1.18 0.00 0.00 52.55 53.55 1orm s ASP 124 Cb -0.18 -0.52 0.10 0.00 -0.34 0.00 0.00 42.92 41.98 1orm s ASP 124 CO 0.17 0.26 0.09 -0.36 0.68 0.00 0.00 175.17 176.01 1orm s PHE 125 N -0.88 3.62 -0.09 2.11 0.08 -1.23 -4.58 117.98 117.01 1orm s PHE 125 Ca 0.14 -2.64 0.01 0.00 0.12 0.00 0.00 56.93 54.55 1orm s PHE 125 Cb -0.10 -2.89 0.02 0.00 -0.57 0.00 0.00 43.02 39.48 1orm s PHE 125 CO 0.04 -0.94 -0.09 -1.12 -0.10 0.00 0.00 175.22 173.01 1orm s SER 126 N 1.28 1.90 -0.20 1.36 0.01 -1.26 -4.15 113.70 112.64 1orm s SER 126 Ca 0.07 -0.28 -0.16 0.00 1.31 0.00 0.00 55.95 56.89 1orm s SER 126 Cb -0.20 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 1orm s SER 126 CO -0.06 -0.05 0.39 -0.31 0.41 0.00 0.00 173.24 173.62 1orm s TYR 127 N 1.21 3.38 -0.10 2.43 1.51 -1.26 -4.43 117.35 120.09 1orm s TYR 127 Ca -0.04 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.64 1orm s TYR 127 Cb -0.14 -2.51 -0.02 0.00 -0.11 0.00 0.00 41.96 39.18 1orm s TYR 127 CO -0.03 0.00 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.27 1orm s GLU 128 N 1.26 3.03 0.10 -0.62 -6.30 -1.26 -4.06 118.70 110.85 1orm s GLU 128 Ca 0.19 -0.72 0.03 0.00 -2.50 0.00 0.00 54.97 51.97 1orm s GLU 128 Cb -0.15 -2.50 -0.04 0.00 0.00 0.00 0.00 34.13 31.45 1orm s GLU 128 CO 0.08 0.35 -0.09 1.14 0.02 0.00 0.00 175.26 176.76 1orm s GLN 129 N -0.03 0.85 0.40 4.30 -2.07 -1.26 -4.43 119.66 117.42 1orm s GLN 129 Ca -0.04 -1.20 0.07 0.00 -1.82 0.00 0.00 55.36 52.37 1orm s GLN 129 Cb -0.14 -0.47 -0.08 0.00 -1.09 0.00 0.00 33.01 31.23 1orm s GLN 129 CO 0.04 0.06 -0.00 -1.12 -1.32 0.00 0.00 175.29 172.95 1orm s SER 130 N -2.60 3.79 -0.37 12.60 0.01 -1.26 -4.47 113.70 121.40 1orm s SER 130 Ca 0.07 -1.35 0.12 0.00 1.31 0.00 0.00 55.95 56.10 1orm s SER 130 Cb -0.01 -0.38 0.41 0.00 0.21 0.00 0.00 66.02 66.25 1orm s SER 130 CO -0.01 -0.43 1.28 -2.11 0.41 0.00 0.00 173.24 172.38 1orm n ARG 131 N -0.93 1.22 -2.81 12.44 1.85 -1.26 -4.84 116.66 122.33 1orm n ARG 131 Ca -0.05 -2.15 -0.43 0.00 -1.00 0.00 0.00 57.85 54.22 1orm n ARG 131 Cb 0.67 -0.32 -0.01 0.00 -1.05 0.00 0.00 32.46 31.74 1orm n ARG 131 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1orm s ILE 132 N -0.69 4.59 0.00 8.89 1.01 -1.26 -4.70 121.20 129.03 1orm s ILE 132 Ca 0.22 -1.86 0.00 0.00 0.00 0.00 0.00 60.65 59.01 1orm s ILE 132 Cb 0.42 -4.95 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1orm s ILE 132 CO -0.06 -1.71 0.00 0.54 0.00 0.00 0.00 174.94 173.71 1orm n ARG 133 N 6.97 0.00 -2.72 2.79 5.12 -1.26 -3.50 116.66 124.06 1orm n ARG 133 Ca 0.34 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 56.21 1orm n ARG 133 Cb 0.47 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.81 1orm n ARG 133 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1orm n SER 134 N 1.79 -2.51 -4.07 0.55 2.88 -1.26 -5.14 113.62 105.86 1orm n SER 134 Ca 0.00 -2.47 -0.24 0.00 -1.33 0.00 0.00 58.87 54.83 1orm n SER 134 Cb 0.00 1.40 -0.16 0.00 -0.75 0.00 0.00 64.21 64.70 1orm n SER 134 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1orm s VAL 135 N 0.69 1.15 -0.19 2.46 1.01 -1.23 -4.88 120.40 119.41 1orm s VAL 135 Ca 0.29 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1orm s VAL 135 Cb 0.14 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1orm s VAL 135 CO -0.13 0.34 -0.16 -0.62 0.00 0.00 0.00 175.10 174.53 1orm s ASP 136 N 0.22 3.44 -0.02 3.32 2.15 -1.26 -4.49 116.67 120.03 1orm s ASP 136 Ca -0.06 -0.58 0.02 0.00 0.43 0.00 0.00 52.55 52.37 1orm s ASP 136 Cb -0.11 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.96 1orm s ASP 136 CO 0.02 0.00 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.25 1orm s VAL 137 N 1.31 0.65 -0.42 1.11 1.01 -1.26 -3.77 120.40 119.02 1orm s VAL 137 Ca 0.05 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1orm s VAL 137 Cb -0.13 -0.59 0.13 0.00 0.00 0.00 0.00 36.38 35.78 1orm s VAL 137 CO -0.10 0.21 0.20 -0.83 0.00 0.00 0.00 175.10 174.58 1orm s GLY 138 N 0.20 1.72 0.31 4.51 0.00 -1.26 -4.70 107.32 108.11 1orm s GLY 138 Ca -0.03 -2.55 -0.00 0.00 0.00 0.00 0.00 44.72 42.14 1orm s GLY 138 CO 0.00 1.41 0.51 -1.08 0.00 0.00 0.00 173.10 173.95 1orm s THR 139 N 0.51 5.12 -0.33 0.90 -1.32 -1.26 -4.82 115.64 114.44 1orm s THR 139 Ca 0.16 -0.40 -0.01 0.00 -1.21 0.00 0.00 61.69 60.22 1orm s THR 139 Cb -0.23 -3.82 0.12 0.00 -1.51 0.00 0.00 72.50 67.05 1orm s THR 139 CO -0.04 -0.45 0.16 0.86 -2.21 0.00 0.00 174.62 172.94 1orm s TRP 140 N -2.19 0.90 0.32 9.09 -0.00 -1.26 -4.70 118.94 121.09 1orm s TRP 140 Ca 0.40 -1.47 -0.29 0.00 -0.00 0.00 0.00 56.10 54.73 1orm s TRP 140 Cb -0.10 -1.17 -0.12 0.00 -0.00 0.00 0.00 33.47 32.08 1orm s TRP 140 CO 0.34 -0.83 1.40 1.51 -0.00 0.00 0.00 176.95 179.36 1orm n ILE 141 N 4.56 1.60 -2.79 5.86 3.06 -1.26 -4.85 119.36 125.53 1orm n ILE 141 Ca 0.03 -0.40 -0.18 0.00 -2.50 0.00 0.00 62.75 59.70 1orm n ILE 141 Cb 0.39 -1.68 -0.00 0.00 0.54 0.00 0.00 39.64 38.89 1orm n ILE 141 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1orm n ALA 142 N 1.01 3.62 -1.63 1.51 0.00 -1.26 -4.89 120.51 118.87 1orm n ALA 142 Ca 0.06 -3.70 -0.41 0.00 0.00 0.00 0.00 53.44 49.40 1orm n ALA 142 Cb 0.36 -0.82 0.02 0.00 0.00 0.00 0.00 19.45 19.01 1orm n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1orm n GLY 143 N -0.10 -0.07 2.39 0.00 0.00 -1.26 -4.66 105.19 101.49 1orm n GLY 143 Ca 0.23 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 1orm n GLY 143 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1orm n VAL 144 N -0.64 -0.29 -3.82 1.61 0.24 -1.22 -4.45 118.33 109.76 1orm n VAL 144 Ca 0.09 -3.29 0.00 0.00 -2.04 0.00 0.00 64.34 59.11 1orm n VAL 144 Cb 0.41 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1orm n VAL 144 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1orm n GLY 145 N 0.93 4.59 3.97 7.63 0.00 -1.26 -4.86 105.19 116.19 1orm n GLY 145 Ca 0.17 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 1orm n GLY 145 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1orm s TYR 146 N -1.17 1.64 -0.01 1.61 5.04 -1.26 -2.54 117.35 120.66 1orm s TYR 146 Ca 0.00 -0.07 0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1orm s TYR 146 Cb 0.00 -3.34 -0.00 0.00 0.35 0.00 0.00 41.96 38.97 1orm s TYR 146 CO 0.00 -1.98 -0.06 -0.98 -1.34 0.00 0.00 175.55 171.19 1orm s ARG 147 N -5.37 0.60 0.00 4.97 1.04 -1.26 -4.78 118.95 114.15 1orm s ARG 147 Ca 0.68 -0.22 0.00 0.00 -1.04 0.00 0.00 55.73 55.15 1orm s ARG 147 Cb -0.05 -0.59 0.00 0.00 -2.04 0.00 0.00 34.95 32.27 1orm s ARG 147 CO 0.47 0.11 0.00 1.19 -0.04 0.00 0.00 175.30 177.03