#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 4.38 -1.15 0.00 2.01 -1.26 -4.97 115.64 114.64 1orm s THR 2 Ca 0.00 1.52 -0.08 0.00 0.31 0.00 0.00 61.69 63.44 1orm s THR 2 Cb 0.00 -3.67 0.25 0.00 0.01 0.00 0.00 72.50 69.09 1orm s THR 2 CO 0.00 -0.23 1.46 -1.20 -0.69 0.00 0.00 174.62 173.96 1orm n SER 3 N -0.40 5.71 -4.80 3.53 7.64 -1.26 -4.68 113.62 119.36 1orm n SER 3 Ca 0.06 -3.18 -0.36 0.00 1.01 0.00 0.00 58.87 56.40 1orm n SER 3 Cb 0.53 -1.39 -0.07 0.00 -1.01 0.00 0.00 64.21 62.27 1orm n SER 3 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1orm s THR 4 N -1.02 5.40 -0.44 0.44 2.01 -1.26 0.13 115.64 120.91 1orm s THR 4 Ca 0.35 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.58 1orm s THR 4 Cb 0.00 -3.49 0.10 0.00 0.01 0.00 0.00 72.50 69.12 1orm s THR 4 CO 0.02 0.51 0.28 -0.69 -0.69 0.00 0.00 174.62 174.05 1orm s VAL 5 N -0.29 4.11 -0.13 3.82 1.01 -1.26 -4.71 120.40 122.95 1orm s VAL 5 Ca 0.14 -1.62 -0.02 0.00 0.00 0.00 0.00 61.98 60.48 1orm s VAL 5 Cb -0.12 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1orm s VAL 5 CO 0.03 -0.62 0.02 0.42 0.00 0.00 0.00 175.10 174.94 1orm s THR 6 N 1.37 0.45 -3.19 3.92 -4.23 -1.26 -3.41 115.64 109.29 1orm s THR 6 Ca 0.04 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1orm s THR 6 Cb -0.24 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1orm s THR 6 CO 0.00 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1orm n GLY 7 N 5.10 0.60 0.00 3.99 0.00 -1.26 -3.93 105.19 109.69 1orm n GLY 7 Ca -0.08 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 1.49 3.73 -0.02 0.00 -1.26 -4.07 105.19 105.06 1orm n GLY 8 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 3.15 -0.08 1.61 1.51 -1.26 -4.00 117.35 118.29 1orm s TYR 9 Ca 0.00 0.97 -0.01 0.00 -1.01 0.00 0.00 57.07 57.02 1orm s TYR 9 Cb 0.00 -3.75 0.03 0.00 -0.11 0.00 0.00 41.96 38.13 1orm s TYR 9 CO 0.00 -2.54 -0.01 0.00 -1.11 0.00 0.00 175.55 171.90 1orm s ALA 10 N 0.58 0.78 0.31 3.71 0.00 -1.25 -4.07 121.76 121.82 1orm s ALA 10 Ca 0.62 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.47 1orm s ALA 10 Cb -0.39 -0.77 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 1orm s ALA 10 CO 0.36 -0.45 -0.05 -0.65 0.00 0.00 0.00 175.76 174.97 1orm s GLN 11 N 1.94 1.64 -0.29 0.00 -0.21 -1.26 -4.37 119.66 117.11 1orm s GLN 11 Ca 0.05 -1.85 -0.14 0.00 0.02 0.00 0.00 55.36 53.44 1orm s GLN 11 Cb -0.12 -1.26 0.10 0.00 1.00 0.00 0.00 33.01 32.73 1orm s GLN 11 CO -0.06 0.02 0.68 0.45 -2.12 0.00 0.00 175.29 174.26 1orm s SER 12 N -3.50 -1.03 -0.16 5.90 0.15 -1.26 -4.35 113.70 109.45 1orm s SER 12 Ca 0.31 1.54 0.01 0.00 0.70 0.00 0.00 55.95 58.51 1orm s SER 12 Cb 0.05 1.77 0.02 0.00 -1.71 0.00 0.00 66.02 66.14 1orm s SER 12 CO 0.14 -0.23 -0.17 -1.81 1.20 0.00 0.00 173.24 172.36 1orm s ASP 13 N 2.15 2.88 0.44 5.45 1.11 -1.26 -4.81 116.67 122.64 1orm s ASP 13 Ca -0.08 -0.56 0.06 0.00 0.18 0.00 0.00 52.55 52.15 1orm s ASP 13 Cb -0.08 -1.31 -0.04 0.00 1.07 0.00 0.00 42.92 42.55 1orm s ASP 13 CO -0.20 -0.02 0.13 0.00 1.18 0.00 0.00 175.17 176.26 1orm s ALA 14 N 1.35 3.65 -0.77 5.23 0.00 -1.26 -3.76 121.76 126.20 1orm s ALA 14 Ca 0.04 -1.81 -0.23 0.00 0.00 0.00 0.00 51.96 49.96 1orm s ALA 14 Cb -0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 23.12 22.61 1orm s ALA 14 CO -0.11 -0.16 1.90 0.94 0.00 0.00 0.00 175.76 178.33 1orm n GLN 15 N -1.23 1.36 0.00 0.00 7.27 -1.23 -2.52 117.38 121.03 1orm n GLN 15 Ca -0.05 -1.87 0.00 0.00 0.07 0.00 0.00 57.00 55.15 1orm n GLN 15 Cb 0.66 -3.04 0.00 0.00 2.41 0.00 0.00 30.24 30.27 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 4.82 -0.02 2.15 1.69 0.00 -1.26 -5.05 105.19 107.52 1orm n GLY 16 Ca 0.48 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 1orm n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1orm n GLN 17 N -1.32 -1.68 -2.75 1.61 7.27 -1.05 -5.02 117.38 114.44 1orm n GLN 17 Ca 0.00 0.36 -0.08 0.00 0.07 0.00 0.00 57.00 57.35 1orm n GLN 17 Cb 0.00 -3.57 0.06 0.00 2.41 0.00 0.00 30.24 29.14 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1orm n MET 18 N -2.27 0.79 -3.67 3.69 1.56 -1.26 -5.10 117.12 110.86 1orm n MET 18 Ca -0.07 -1.73 -0.11 0.00 -0.27 0.00 0.00 57.70 55.52 1orm n MET 18 Cb 0.56 -1.38 -0.08 0.00 2.15 0.00 0.00 33.22 34.46 1orm n MET 18 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1orm s ASN 19 N -1.61 -0.69 -0.45 6.12 2.47 -1.26 -5.09 114.94 114.42 1orm s ASN 19 Ca 0.31 1.23 0.03 0.00 0.42 0.00 0.00 52.86 54.84 1orm s ASN 19 Cb 0.24 1.19 0.15 0.00 -1.45 0.00 0.00 41.25 41.37 1orm s ASN 19 CO -0.22 -0.21 0.30 -0.54 -3.72 0.00 0.00 177.10 172.70 1orm s LYS 20 N 0.84 1.23 -0.16 0.43 1.02 -1.26 -4.90 119.74 116.94 1orm s LYS 20 Ca -0.04 -2.11 -0.07 0.00 0.02 0.00 0.00 55.97 53.77 1orm s LYS 20 Cb -0.05 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1orm s LYS 20 CO -0.07 -1.24 0.09 0.00 -0.92 0.00 0.00 175.35 173.21 1orm s MET 21 N 0.15 3.77 -0.07 1.68 0.23 -1.26 -3.46 119.30 120.33 1orm s MET 21 Ca 0.22 -0.27 -0.01 0.00 -1.03 0.00 0.00 55.69 54.61 1orm s MET 21 Cb -0.14 -3.21 0.03 0.00 -1.53 0.00 0.00 34.83 29.98 1orm s MET 21 CO -0.07 0.47 -0.00 0.20 -2.03 0.00 0.00 175.02 173.58 1orm s GLY 22 N -0.15 0.48 0.27 3.16 0.00 -1.26 -4.49 107.32 105.31 1orm s GLY 22 Ca 0.09 -0.12 -0.13 0.00 0.00 0.00 0.00 44.72 44.55 1orm s GLY 22 CO 0.01 1.06 0.68 0.61 0.00 0.00 0.00 173.10 175.47 1orm n GLY 23 N 5.03 1.06 3.22 0.20 0.00 -1.26 -4.57 105.19 108.88 1orm n GLY 23 Ca -0.09 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.37 -0.15 0.00 1.61 -0.71 -1.26 -3.90 117.98 110.20 1orm s PHE 24 Ca 0.14 0.26 0.00 0.00 -1.04 0.00 0.00 56.93 56.30 1orm s PHE 24 Cb -0.03 0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.87 1orm s PHE 24 CO 0.08 -0.08 0.00 0.09 -1.34 0.00 0.00 175.22 173.98 1orm n ASN 25 N 4.55 0.00 -1.83 1.98 3.02 -1.26 -4.89 115.26 116.84 1orm n ASN 25 Ca -0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.47 1orm n ASN 25 Cb 0.55 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.76 1orm n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1orm n LEU 26 N 0.00 -0.41 -3.59 3.41 -0.00 -1.26 -3.14 117.00 112.02 1orm n LEU 26 Ca 0.00 -1.61 -0.28 0.00 -0.00 0.00 0.00 56.01 54.12 1orm n LEU 26 Cb 0.00 0.75 -0.11 0.00 -0.00 0.00 0.00 43.42 44.06 1orm n LEU 26 CO 0.00 1.20 -0.23 -1.59 -0.00 0.00 0.00 177.39 176.76 1orm s LYS 27 N 0.04 1.34 -0.44 1.47 -2.85 -0.90 -4.51 119.74 113.88 1orm s LYS 27 Ca 0.02 -2.32 0.07 0.00 -1.00 0.00 0.00 55.97 52.74 1orm s LYS 27 Cb 0.12 -2.09 0.25 0.00 -2.06 0.00 0.00 37.83 34.05 1orm s LYS 27 CO -0.04 -1.30 0.71 0.98 0.10 0.00 0.00 175.35 175.81 1orm n TYR 28 N 2.88 -1.85 -2.02 1.78 9.36 -1.16 -4.74 117.16 121.41 1orm n TYR 28 Ca 0.21 -2.67 -0.31 0.00 3.32 0.00 0.00 57.90 58.46 1orm n TYR 28 Cb 0.41 0.61 0.00 0.00 -0.63 0.00 0.00 39.34 39.73 1orm n TYR 28 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1orm s ARG 29 N -0.27 3.65 -0.75 2.98 1.70 -1.26 -3.25 118.95 121.74 1orm s ARG 29 Ca 0.33 0.73 -0.01 0.00 -0.47 0.00 0.00 55.73 56.32 1orm s ARG 29 Cb 0.21 -2.12 0.19 0.00 -0.57 0.00 0.00 34.95 32.66 1orm s ARG 29 CO -0.18 -0.49 0.59 -0.47 -1.08 0.00 0.00 175.30 173.67 1orm s TYR 30 N -3.05 3.63 -0.43 5.89 5.04 -1.26 -2.22 117.35 124.95 1orm s TYR 30 Ca 0.55 -2.96 0.03 0.00 -2.44 0.00 0.00 57.07 52.25 1orm s TYR 30 Cb -0.11 -3.14 0.11 0.00 0.35 0.00 0.00 41.96 39.18 1orm s TYR 30 CO 0.50 -0.75 0.16 -2.00 -1.34 0.00 0.00 175.55 172.11 1orm s GLU 31 N -0.82 1.76 0.00 4.97 -6.30 -1.26 -4.59 118.70 112.46 1orm s GLU 31 Ca 0.23 -2.18 0.00 0.00 -2.50 0.00 0.00 54.97 50.52 1orm s GLU 31 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 34.13 30.70 1orm s GLU 31 CO -0.09 -1.02 0.00 -1.91 0.02 0.00 0.00 175.26 172.26 1orm n GLU 32 N 3.82 3.08 -0.06 4.30 2.13 -1.26 -4.25 120.64 128.40 1orm n GLU 32 Ca 0.04 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.81 1orm n GLU 32 Cb 0.38 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.05 1orm n GLU 32 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 1orm h ASP 33 N 0.00 0.00 -1.89 4.31 3.04 -2.04 -3.39 116.42 116.46 1orm h ASP 33 Ca 0.00 -0.26 -0.63 0.00 -3.24 0.00 0.00 57.03 52.90 1orm h ASP 33 Cb 0.00 0.00 -0.39 0.00 -1.04 0.00 0.00 39.33 37.90 1orm h ASP 33 CO 0.00 0.72 -0.38 -3.20 -2.04 0.00 0.00 179.24 174.34 1orm n ASN 34 N -4.69 5.14 -4.83 4.15 2.85 -1.26 -5.04 115.26 111.57 1orm n ASN 34 Ca -0.06 -3.72 -0.37 0.00 -0.11 0.00 0.00 54.58 50.32 1orm n ASN 34 Cb 0.20 -0.61 -0.06 0.00 1.24 0.00 0.00 39.78 40.55 1orm n ASN 34 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1orm s SER 35 N -3.10 6.88 0.00 1.20 1.04 -1.26 -5.05 113.70 113.41 1orm s SER 35 Ca 0.48 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.99 1orm s SER 35 Cb 0.35 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1orm s SER 35 CO -0.19 0.23 0.07 -0.81 0.98 0.00 0.00 173.24 173.52 1orm n PRO 36 N 1.40 0.00 -3.72 4.02 -0.04 -1.26 -4.93 135.00 130.47 1orm n PRO 36 Ca -0.10 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.30 1orm n PRO 36 Cb 0.52 -0.42 -0.02 0.00 -0.04 0.00 0.00 33.50 33.54 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 -0.58 -0.27 0.00 1.53 2.34 -1.26 -5.05 118.68 115.39 1orm s LEU 37 Ca 0.00 -0.37 0.00 0.00 0.06 0.00 0.00 54.13 53.82 1orm s LEU 37 Cb 0.00 2.36 0.00 0.00 -0.56 0.00 0.00 46.19 47.99 1orm s LEU 37 CO 0.00 -1.01 0.00 0.61 -1.06 0.00 0.00 176.35 174.89 1orm n GLY 38 N -0.43 0.74 2.53 -3.48 0.00 -1.26 -5.01 105.19 98.29 1orm n GLY 38 Ca -0.07 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1orm n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1orm n VAL 39 N 0.00 3.84 -2.75 1.61 0.24 -1.23 -4.52 118.33 115.53 1orm n VAL 39 Ca 0.00 -3.49 -0.41 0.00 -2.04 0.00 0.00 64.34 58.40 1orm n VAL 39 Cb 0.00 -1.66 -0.05 0.00 -1.47 0.00 0.00 33.84 30.66 1orm n VAL 39 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1orm s ILE 40 N -2.35 4.44 -0.25 1.34 2.07 -1.26 -4.29 121.20 120.89 1orm s ILE 40 Ca 0.57 2.05 0.08 0.00 -1.41 0.00 0.00 60.65 61.94 1orm s ILE 40 Cb 0.34 -4.31 0.26 0.00 0.13 0.00 0.00 42.46 38.88 1orm s ILE 40 CO -0.21 0.35 1.20 0.61 -1.91 0.00 0.00 174.94 174.98 1orm n GLY 41 N 2.12 0.88 3.13 1.50 0.00 -1.20 -4.54 105.19 107.08 1orm n GLY 41 Ca 0.01 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1orm n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1orm s SER 42 N -0.75 3.72 -0.30 1.61 0.01 -1.26 -2.11 113.70 114.63 1orm s SER 42 Ca 0.08 -0.85 -0.06 0.00 1.31 0.00 0.00 55.95 56.43 1orm s SER 42 Cb 0.29 -1.55 0.19 0.00 0.21 0.00 0.00 66.02 65.16 1orm s SER 42 CO -0.08 -0.07 0.87 0.12 0.41 0.00 0.00 173.24 174.50 1orm s PHE 43 N 1.26 -0.98 0.21 2.43 2.19 -1.19 -4.42 117.98 117.48 1orm s PHE 43 Ca 0.01 0.79 0.07 0.00 0.33 0.00 0.00 56.93 58.13 1orm s PHE 43 Cb -0.15 0.25 -0.04 0.00 -1.31 0.00 0.00 43.02 41.77 1orm s PHE 43 CO -0.09 -0.56 0.09 0.99 1.83 0.00 0.00 175.22 177.48 1orm s THR 44 N 2.91 4.08 -0.34 0.12 2.01 -1.20 -4.38 115.64 118.84 1orm s THR 44 Ca 0.14 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.74 1orm s THR 44 Cb -0.08 -3.13 0.16 0.00 0.01 0.00 0.00 72.50 69.46 1orm s THR 44 CO -0.20 -0.23 0.42 -0.47 -0.69 0.00 0.00 174.62 173.45 1orm s TYR 45 N -1.97 -0.77 0.12 4.92 6.14 -1.26 -4.68 117.35 119.84 1orm s TYR 45 Ca 0.31 -0.20 -0.14 0.00 0.64 0.00 0.00 57.07 57.67 1orm s TYR 45 Cb -0.08 -0.22 0.03 0.00 0.42 0.00 0.00 41.96 42.10 1orm s TYR 45 CO 0.22 -1.00 0.35 -0.08 0.64 0.00 0.00 175.55 175.68 1orm s THR 46 N 1.97 0.09 -0.27 4.34 -1.32 -1.26 -4.85 115.64 114.34 1orm s THR 46 Ca 0.14 -0.73 -0.32 0.00 -1.21 0.00 0.00 61.69 59.56 1orm s THR 46 Cb -0.13 -1.22 0.17 0.00 -1.51 0.00 0.00 72.50 69.82 1orm s THR 46 CO -0.16 -0.39 1.32 -0.70 -2.21 0.00 0.00 174.62 172.48 1orm s GLU 47 N -3.82 0.12 -0.02 7.08 2.56 -1.26 -3.80 118.70 119.56 1orm s GLU 47 Ca 0.04 -0.00 -0.18 0.00 0.00 0.00 0.00 54.97 54.83 1orm s GLU 47 Cb 0.03 0.05 -0.10 0.00 2.00 0.00 0.00 34.13 36.11 1orm s GLU 47 CO -0.12 -0.04 0.78 -0.22 -0.56 0.00 0.00 175.26 175.10 1orm h LYS 48 N 2.06 -0.62 -3.43 4.30 3.64 -1.94 -3.44 116.57 117.15 1orm h LYS 48 Ca -0.07 0.04 0.36 0.00 -1.27 0.00 0.00 60.65 59.71 1orm h LYS 48 Cb 1.17 0.14 -0.16 0.00 -0.41 0.00 0.00 32.23 32.97 1orm h LYS 48 CO 0.22 -0.41 -1.00 -1.13 -2.27 0.00 0.00 179.45 174.85 1orm n SER 49 N -5.00 -8.44 -3.00 4.20 3.41 -1.26 -4.95 113.62 98.57 1orm n SER 49 Ca -0.08 1.14 -0.15 0.00 -0.26 0.00 0.00 58.87 59.53 1orm n SER 49 Cb 0.25 -4.78 0.02 0.00 -0.26 0.00 0.00 64.21 59.44 1orm n SER 49 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1orm n ARG 50 N -4.32 -2.31 0.06 4.33 0.00 -1.26 -4.97 116.66 108.20 1orm n ARG 50 Ca -0.05 1.98 -0.03 0.00 -0.00 0.00 0.00 57.85 59.75 1orm n ARG 50 Cb 0.69 -4.78 -0.01 0.00 0.00 0.00 0.00 32.46 28.35 1orm n ARG 50 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1orm h THR 51 N 2.08 0.00 0.00 5.15 2.02 -1.92 -3.48 112.91 116.77 1orm h THR 51 Ca -0.13 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1orm h THR 51 Cb 1.06 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1orm h THR 51 CO 0.20 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.09 1orm n ALA 52 N -2.28 0.00 -2.74 6.16 0.00 -1.26 -5.03 120.51 115.36 1orm n ALA 52 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1orm n ALA 52 Cb 0.07 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.58 1orm n ALA 52 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1orm n SER 53 N -1.83 -2.70 0.00 0.00 7.64 -1.26 -4.97 113.62 110.49 1orm n SER 53 Ca 0.00 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1orm n SER 53 Cb 0.00 1.81 0.00 0.00 -1.01 0.00 0.00 64.21 65.01 1orm n SER 53 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1orm n SER 54 N 1.35 0.00 0.09 6.43 2.88 -1.26 -5.02 113.62 118.09 1orm n SER 54 Ca 0.08 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1orm n SER 54 Cb 0.65 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 1orm n SER 54 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1orm h GLY 55 N 0.00 -0.33 0.00 0.46 0.00 -1.94 -3.45 103.07 97.82 1orm h GLY 55 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1orm h GLY 55 CO 0.00 -0.12 0.00 1.22 0.00 0.00 0.00 176.54 177.64 1orm n ASP 56 N -2.68 0.00 -3.15 0.19 8.00 -1.26 -4.37 116.55 113.28 1orm n ASP 56 Ca -0.03 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.51 1orm n ASP 56 Cb 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 1orm n ASP 56 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1orm s TYR 57 N 0.00 -1.58 -0.35 1.24 6.14 -1.26 -4.39 117.35 117.16 1orm s TYR 57 Ca 0.00 1.45 -0.05 0.00 0.64 0.00 0.00 57.07 59.11 1orm s TYR 57 Cb 0.00 0.47 0.06 0.00 0.42 0.00 0.00 41.96 42.91 1orm s TYR 57 CO 0.00 -0.88 0.11 -0.80 0.64 0.00 0.00 175.55 174.62 1orm s ASN 58 N 2.86 5.23 -1.30 4.32 0.01 -1.26 -2.08 114.94 122.72 1orm s ASN 58 Ca 0.17 -1.33 -0.11 0.00 -0.71 0.00 0.00 52.86 50.88 1orm s ASN 58 Cb -0.13 -1.83 0.14 0.00 0.41 0.00 0.00 41.25 39.84 1orm s ASN 58 CO -0.22 -0.36 1.89 1.17 -1.51 0.00 0.00 177.10 178.07 1orm n LYS 59 N 4.74 3.47 -4.14 -0.60 3.00 -1.26 -4.88 118.16 118.48 1orm n LYS 59 Ca -0.11 -3.40 -0.16 0.00 -0.00 0.00 0.00 58.31 54.64 1orm n LYS 59 Cb 0.44 -3.01 -0.15 0.00 0.00 0.00 0.00 35.03 32.31 1orm n LYS 59 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1orm s ASN 60 N 1.51 0.60 0.21 3.14 2.47 -1.26 -4.70 114.94 116.90 1orm s ASN 60 Ca 0.41 -0.09 0.09 0.00 0.42 0.00 0.00 52.86 53.70 1orm s ASN 60 Cb 0.09 -0.09 -0.04 0.00 -1.45 0.00 0.00 41.25 39.76 1orm s ASN 60 CO -0.01 0.05 -0.08 0.00 -3.72 0.00 0.00 177.10 173.34 1orm s GLN 61 N -0.04 2.09 -0.66 0.43 -2.07 -1.26 -4.64 119.66 113.51 1orm s GLN 61 Ca 0.01 -1.34 -0.08 0.00 -1.82 0.00 0.00 55.36 52.13 1orm s GLN 61 Cb -0.03 -2.13 0.17 0.00 -1.09 0.00 0.00 33.01 29.93 1orm s GLN 61 CO -0.00 0.41 0.53 -0.47 -1.32 0.00 0.00 175.29 174.44 1orm s TYR 62 N -1.92 3.53 0.00 9.60 6.14 -1.25 -4.81 117.35 128.64 1orm s TYR 62 Ca 0.27 -2.34 0.00 0.00 0.64 0.00 0.00 57.07 55.64 1orm s TYR 62 Cb -0.08 -3.45 0.00 0.00 0.42 0.00 0.00 41.96 38.85 1orm s TYR 62 CO 0.16 -0.92 0.00 0.98 0.64 0.00 0.00 175.55 176.42 1orm n TYR 63 N 3.89 -0.00 -3.63 4.97 9.36 -1.26 -4.86 117.16 125.62 1orm n TYR 63 Ca 0.07 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.26 1orm n TYR 63 Cb 0.41 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.11 1orm n TYR 63 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1orm s GLY 64 N -1.64 -0.35 -0.33 2.98 0.00 -1.26 -4.17 107.32 102.56 1orm s GLY 64 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 44.72 45.20 1orm s GLY 64 CO 0.00 0.21 1.05 -1.50 0.00 0.00 0.00 173.10 172.87 1orm s ILE 65 N -2.85 4.51 -0.21 0.90 2.07 -1.26 -4.73 121.20 119.64 1orm s ILE 65 Ca 0.11 1.65 0.01 0.00 -1.41 0.00 0.00 60.65 61.01 1orm s ILE 65 Cb 0.01 -4.41 0.05 0.00 0.13 0.00 0.00 42.46 38.24 1orm s ILE 65 CO -0.03 -0.50 -0.09 0.42 -1.91 0.00 0.00 174.94 172.83 1orm s THR 66 N 3.65 1.63 0.55 4.00 -4.23 -1.24 -3.25 115.64 116.75 1orm s THR 66 Ca 0.44 -1.08 -0.16 0.00 -1.18 0.00 0.00 61.69 59.71 1orm s THR 66 Cb -0.12 -1.76 -0.06 0.00 1.34 0.00 0.00 72.50 71.90 1orm s THR 66 CO 0.16 0.09 1.01 0.00 -0.54 0.00 0.00 174.62 175.35 1orm s ALA 67 N 1.38 2.95 -0.43 3.99 0.00 -1.26 -4.48 121.76 123.92 1orm s ALA 67 Ca -0.03 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1orm s ALA 67 Cb -0.17 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 19.84 1orm s ALA 67 CO -0.08 -0.45 0.31 0.20 0.00 0.00 0.00 175.76 175.74 1orm s GLY 68 N -3.01 2.00 -0.80 0.00 0.00 -1.26 -4.55 107.32 99.70 1orm s GLY 68 Ca 0.60 -1.94 -0.25 0.00 0.00 0.00 0.00 44.72 43.13 1orm s GLY 68 CO 0.34 0.97 1.62 2.56 0.00 0.00 0.00 173.10 178.59 1orm s PRO 69 N 1.60 2.99 -0.94 2.90 0.04 -1.26 -3.48 135.00 136.84 1orm s PRO 69 Ca 0.04 -0.20 -0.18 0.00 0.04 0.00 0.00 61.00 60.70 1orm s PRO 69 Cb -0.22 -4.68 0.15 0.00 0.04 0.00 0.00 34.50 29.80 1orm s PRO 69 CO 0.07 -2.58 1.09 0.00 0.04 0.00 0.00 177.00 175.62 1orm s ALA 70 N 7.42 3.54 -0.35 8.56 0.00 -1.26 -4.67 121.76 135.00 1orm s ALA 70 Ca 0.54 -2.91 0.12 0.00 0.00 0.00 0.00 51.96 49.70 1orm s ALA 70 Cb -0.07 -3.97 0.45 0.00 0.00 0.00 0.00 23.12 19.53 1orm s ALA 70 CO 0.08 -2.85 1.07 0.98 0.00 0.00 0.00 175.76 175.04 1orm n TYR 71 N 6.03 2.31 -3.60 0.00 4.19 -1.26 -4.91 117.16 119.93 1orm n TYR 71 Ca 0.23 -2.74 -0.12 0.00 3.31 0.00 0.00 57.90 58.58 1orm n TYR 71 Cb 0.48 -0.24 -0.06 0.00 0.49 0.00 0.00 39.34 40.01 1orm n TYR 71 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 1orm s ARG 72 N -3.45 0.67 -0.12 2.98 3.52 -1.26 -4.95 118.95 116.33 1orm s ARG 72 Ca 0.39 0.46 -0.06 0.00 -0.13 0.00 0.00 55.73 56.39 1orm s ARG 72 Cb 0.41 0.32 -0.05 0.00 -1.56 0.00 0.00 34.95 34.07 1orm s ARG 72 CO -0.06 -0.15 -0.15 1.51 -0.81 0.00 0.00 175.30 175.64 1orm n ILE 73 N 1.59 0.67 -2.67 4.11 0.00 -1.26 -4.95 119.36 116.85 1orm n ILE 73 Ca -0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 62.75 62.40 1orm n ILE 73 Cb 0.57 -1.62 0.04 0.00 0.00 0.00 0.00 39.64 38.62 1orm n ILE 73 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1orm n ASN 74 N -3.50 -1.41 -0.03 9.51 0.23 -1.26 -5.04 115.26 113.76 1orm n ASN 74 Ca -0.24 -1.96 -0.01 0.00 -0.53 0.00 0.00 54.58 51.85 1orm n ASN 74 Cb 0.67 1.04 -0.00 0.00 -2.08 0.00 0.00 39.78 39.41 1orm n ASN 74 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1orm h ASP 75 N 1.51 0.00 -0.36 0.53 1.82 -1.98 -3.47 116.42 114.46 1orm h ASP 75 Ca -0.47 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.14 1orm h ASP 75 Cb 1.25 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 41.11 1orm h ASP 75 CO -0.15 0.26 -0.21 1.87 -1.61 0.00 0.00 179.24 179.40 1orm n TRP 76 N -3.27 -1.48 -1.65 0.28 -0.00 -1.26 -5.12 117.44 104.94 1orm n TRP 76 Ca -0.01 -0.84 0.00 0.00 -0.00 0.00 0.00 57.50 56.65 1orm n TRP 76 Cb 0.04 1.19 0.00 0.00 -0.00 0.00 0.00 31.31 32.54 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1orm n ALA 77 N 2.60 -2.07 -0.98 5.87 0.00 -1.26 -4.91 120.51 119.75 1orm n ALA 77 Ca 0.13 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.70 1orm n ALA 77 Cb 0.63 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.85 1orm n ALA 77 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1orm s SER 78 N -2.33 3.41 -0.32 0.00 0.01 -1.26 -4.99 113.70 108.22 1orm s SER 78 Ca 0.00 1.86 -0.11 0.00 1.31 0.00 0.00 55.95 59.01 1orm s SER 78 Cb 0.00 -2.45 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 1orm s SER 78 CO 0.00 -2.73 0.20 -0.63 0.41 0.00 0.00 173.24 170.49 1orm s ILE 79 N -2.78 5.02 -0.50 1.44 1.01 -1.26 -4.95 121.20 119.17 1orm s ILE 79 Ca 0.64 -0.27 -0.24 0.00 0.00 0.00 0.00 60.65 60.79 1orm s ILE 79 Cb -0.20 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.75 1orm s ILE 79 CO 0.58 0.04 0.88 -0.47 0.00 0.00 0.00 174.94 175.97 1orm s TYR 80 N 1.68 2.89 -0.75 3.97 5.04 -1.26 -4.65 117.35 124.27 1orm s TYR 80 Ca 0.06 0.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.81 1orm s TYR 80 Cb -0.17 -3.91 0.18 0.00 0.35 0.00 0.00 41.96 38.41 1orm s TYR 80 CO 0.09 -1.18 0.56 0.20 -1.34 0.00 0.00 175.55 173.88 1orm s GLY 81 N 2.52 2.97 -0.30 8.97 0.00 -1.26 -4.67 107.32 115.55 1orm s GLY 81 Ca 0.31 -3.83 -0.24 0.00 0.00 0.00 0.00 44.72 40.96 1orm s GLY 81 CO 0.21 1.11 0.80 -1.34 0.00 0.00 0.00 173.10 173.88 1orm s VAL 82 N -1.41 4.79 -0.06 1.40 -7.23 -1.26 -4.58 120.40 112.05 1orm s VAL 82 Ca 0.25 1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 61.65 1orm s VAL 82 Cb -0.06 -4.15 0.03 0.00 0.56 0.00 0.00 36.38 32.76 1orm s VAL 82 CO -0.15 -0.24 0.01 -0.69 -0.31 0.00 0.00 175.10 173.71 1orm s VAL 83 N 2.97 0.27 0.01 1.32 1.01 -1.26 -4.36 120.40 120.37 1orm s VAL 83 Ca 0.33 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.23 1orm s VAL 83 Cb -0.14 -0.42 0.05 0.00 0.00 0.00 0.00 36.38 35.86 1orm s VAL 83 CO 0.12 0.22 0.50 -0.83 0.00 0.00 0.00 175.10 175.11 1orm s GLY 84 N 1.73 -0.38 -0.29 4.51 0.00 -1.20 -3.68 107.32 108.00 1orm s GLY 84 Ca 0.01 0.67 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 1orm s GLY 84 CO -0.04 0.38 0.03 0.14 0.00 0.00 0.00 173.10 173.62 1orm s VAL 85 N -1.92 3.46 0.29 1.40 1.01 -1.26 -3.72 120.40 119.65 1orm s VAL 85 Ca -0.08 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 1orm s VAL 85 Cb -0.01 -2.85 -0.14 0.00 0.00 0.00 0.00 36.38 33.37 1orm s VAL 85 CO 0.02 0.03 0.94 0.61 0.00 0.00 0.00 175.10 176.70 1orm n GLY 86 N 4.76 -0.45 3.01 4.51 0.00 -1.18 -4.66 105.19 111.18 1orm n GLY 86 Ca -0.14 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1orm n GLY 86 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1orm s TYR 87 N -1.07 3.55 -0.87 1.61 5.04 -1.26 -4.65 117.35 119.70 1orm s TYR 87 Ca 0.59 -2.98 0.01 0.00 -2.44 0.00 0.00 57.07 52.25 1orm s TYR 87 Cb -0.72 -2.95 0.27 0.00 0.35 0.00 0.00 41.96 38.91 1orm s TYR 87 CO 0.59 -0.88 1.08 0.41 -1.34 0.00 0.00 175.55 175.41 1orm n GLY 88 N 3.89 4.88 2.75 8.97 0.00 -1.26 -4.69 105.19 119.73 1orm n GLY 88 Ca 0.04 -2.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.01 1orm n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1orm n LYS 89 N 1.25 3.96 -3.86 1.61 0.00 -1.26 -4.79 118.16 115.07 1orm n LYS 89 Ca 0.27 -4.71 -0.03 0.00 0.00 0.00 0.00 58.31 53.85 1orm n LYS 89 Cb 0.37 -2.36 0.01 0.00 0.00 0.00 0.00 35.03 33.05 1orm n LYS 89 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1orm s PHE 90 N -3.36 0.04 0.00 5.64 0.08 -1.26 -5.06 117.98 114.05 1orm s PHE 90 Ca 0.41 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.06 1orm s PHE 90 Cb 0.18 0.68 0.00 0.00 -0.57 0.00 0.00 43.02 43.31 1orm s PHE 90 CO -0.06 -0.86 0.00 0.00 -0.10 0.00 0.00 175.22 174.21 1orm n GLN 91 N -0.67 -3.03 -1.48 0.44 0.00 -1.26 -4.97 117.38 106.41 1orm n GLN 91 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 57.00 56.65 1orm n GLN 91 Cb 0.60 0.00 -0.19 0.00 0.00 0.00 0.00 30.24 30.65 1orm n GLN 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1orm n THR 92 N -0.21 0.00 -3.17 -0.39 -1.04 -1.26 -4.54 114.28 103.68 1orm n THR 92 Ca 0.00 -0.24 -0.45 0.00 -2.04 0.00 0.00 64.05 61.32 1orm n THR 92 Cb 0.00 -0.26 -0.01 0.00 -1.82 0.00 0.00 70.33 68.24 1orm n THR 92 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1orm s THR 93 N 4.63 5.44 0.12 12.58 2.01 -0.88 -3.79 115.64 135.75 1orm s THR 93 Ca 1.32 -2.66 0.00 0.00 0.31 0.00 0.00 61.69 60.67 1orm s THR 93 Cb -1.05 -4.68 0.00 0.00 0.01 0.00 0.00 72.50 66.79 1orm s THR 93 CO 0.52 -1.31 0.00 1.21 -0.69 0.00 0.00 174.62 174.35 1orm n GLU 94 N 4.44 0.00 -3.93 4.92 0.00 -1.26 -4.79 120.64 120.02 1orm n GLU 94 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 57.19 1orm n GLU 94 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.84 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1orm s TYR 95 N -2.00 2.92 -1.16 4.31 1.51 -1.26 -5.00 117.35 116.67 1orm s TYR 95 Ca 0.00 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.67 1orm s TYR 95 Cb 0.00 -1.67 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 1orm s TYR 95 CO 0.00 0.29 2.28 -0.35 -1.11 0.00 0.00 175.55 176.66 1orm n PRO 96 N -1.29 2.46 0.04 -1.71 -0.04 -1.26 -3.82 135.00 129.39 1orm n PRO 96 Ca -0.03 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1orm n PRO 96 Cb 0.59 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 4.75 0.28 -4.02 0.52 -1.04 -1.26 -5.02 114.28 108.48 1orm n THR 97 Ca 0.55 0.09 -0.27 0.00 -2.04 0.00 0.00 64.05 62.38 1orm n THR 97 Cb 0.28 -1.05 -0.08 0.00 -1.82 0.00 0.00 70.33 67.66 1orm n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1orm n TYR 98 N -3.08 -1.04 -3.10 -1.42 4.11 -1.25 -4.85 117.16 106.53 1orm n TYR 98 Ca 0.00 0.52 -0.17 0.00 -0.00 0.00 0.00 57.90 58.25 1orm n TYR 98 Cb 0.15 -2.21 -0.05 0.00 -0.00 0.00 0.00 39.34 37.23 1orm n TYR 98 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1orm n LYS 99 N -3.91 0.40 0.18 -3.48 4.81 -1.26 -4.82 118.16 110.09 1orm n LYS 99 Ca -0.22 -2.68 -0.15 0.00 -0.87 0.00 0.00 58.31 54.40 1orm n LYS 99 Cb 0.55 -1.54 -0.08 0.00 0.02 0.00 0.00 35.03 33.98 1orm n LYS 99 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1orm h ASN 100 N 5.12 -0.34 0.00 3.14 -1.24 -1.93 -3.48 115.58 116.86 1orm h ASN 100 Ca 0.15 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1orm h ASN 100 Cb 0.98 0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1orm h ASN 100 CO 0.25 -0.22 0.00 0.47 -1.29 0.00 0.00 177.43 176.64 1orm n ASP 101 N -5.25 0.00 -4.27 1.15 8.00 -1.26 -4.99 116.55 109.93 1orm n ASP 101 Ca -0.10 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.16 1orm n ASP 101 Cb 0.19 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.20 1orm n ASP 101 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1orm s THR 102 N 0.00 0.82 -0.30 -3.53 -4.23 -1.26 -5.16 115.64 101.97 1orm s THR 102 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 1orm s THR 102 Cb 0.00 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.56 1orm s THR 102 CO 0.00 0.00 1.44 -0.94 -0.54 0.00 0.00 174.62 174.58 1orm s SER 103 N -3.57 -0.01 0.00 3.99 1.04 -1.26 -5.13 113.70 108.76 1orm s SER 103 Ca 0.27 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1orm s SER 103 Cb 0.05 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1orm s SER 103 CO 0.14 -0.00 0.00 -0.90 0.98 0.00 0.00 173.24 173.46 1orm n ASP 104 N 1.93 0.00 -4.49 7.02 5.68 -1.26 -5.13 116.55 120.30 1orm n ASP 104 Ca -0.12 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.78 1orm n ASP 104 Cb 0.57 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.43 1orm n ASP 104 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1orm s TYR 105 N -2.20 3.20 0.01 2.11 1.51 -1.26 -4.57 117.35 116.14 1orm s TYR 105 Ca 0.00 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1orm s TYR 105 Cb 0.00 -2.39 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 1orm s TYR 105 CO 0.00 -0.37 0.15 0.20 -1.11 0.00 0.00 175.55 174.42 1orm s GLY 106 N 1.67 2.12 0.01 0.71 0.00 -1.26 -4.89 107.32 105.68 1orm s GLY 106 Ca 0.06 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.73 1orm s GLY 106 CO 0.08 -0.72 0.66 -1.36 0.00 0.00 0.00 173.10 171.76 1orm s PHE 107 N -1.32 3.69 -0.67 1.90 0.40 -1.26 -3.12 117.98 117.60 1orm s PHE 107 Ca 0.27 1.30 -0.06 0.00 -0.60 0.00 0.00 56.93 57.84 1orm s PHE 107 Cb -0.12 -2.70 0.17 0.00 0.51 0.00 0.00 43.02 40.88 1orm s PHE 107 CO 0.19 0.30 0.52 -1.12 0.70 0.00 0.00 175.22 175.80 1orm s SER 108 N -0.04 5.61 -0.28 1.36 0.01 -1.24 -4.59 113.70 114.53 1orm s SER 108 Ca 0.34 -2.80 -0.03 0.00 1.31 0.00 0.00 55.95 54.77 1orm s SER 108 Cb -0.19 -1.94 0.03 0.00 0.21 0.00 0.00 66.02 64.13 1orm s SER 108 CO 0.19 -0.42 -0.01 -0.47 0.41 0.00 0.00 173.24 172.94 1orm s TYR 109 N 0.01 3.15 0.30 2.43 5.04 -1.26 -4.26 117.35 122.76 1orm s TYR 109 Ca 0.17 -1.54 -0.03 0.00 -2.44 0.00 0.00 57.07 53.23 1orm s TYR 109 Cb -0.18 -2.12 -0.01 0.00 0.35 0.00 0.00 41.96 40.00 1orm s TYR 109 CO -0.05 -0.73 0.39 0.20 -1.34 0.00 0.00 175.55 174.03 1orm s GLY 110 N 1.34 1.42 0.07 8.97 0.00 -1.25 -3.67 107.32 114.20 1orm s GLY 110 Ca -0.01 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.08 1orm s GLY 110 CO -0.02 -1.06 0.27 0.00 0.00 0.00 0.00 173.10 172.29 1orm s ALA 111 N -3.47 -0.54 0.03 3.20 0.00 -1.26 -4.26 121.76 115.45 1orm s ALA 111 Ca 0.32 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 1orm s ALA 111 Cb 0.01 0.41 0.04 0.00 0.00 0.00 0.00 23.12 23.58 1orm s ALA 111 CO 0.18 -0.46 0.44 0.20 0.00 0.00 0.00 175.76 176.12 1orm s GLY 112 N -2.37 -0.31 0.36 0.00 0.00 -1.26 -4.19 107.32 99.54 1orm s GLY 112 Ca -0.01 0.45 0.03 0.00 0.00 0.00 0.00 44.72 45.19 1orm s GLY 112 CO -0.07 0.18 0.10 1.47 0.00 0.00 0.00 173.10 174.79 1orm n LEU 113 N 0.63 0.00 -3.45 0.66 -0.00 -1.26 -4.49 117.00 109.09 1orm n LEU 113 Ca -0.19 -2.64 0.01 0.00 -0.00 0.00 0.00 56.01 53.19 1orm n LEU 113 Cb 0.59 0.78 -0.04 0.00 -0.00 0.00 0.00 43.42 44.75 1orm n LEU 113 CO 0.21 -0.40 0.54 0.00 -0.00 0.00 0.00 177.39 177.74 1orm s GLN 114 N -3.35 0.35 0.00 1.47 -2.07 -1.26 -4.62 119.66 110.18 1orm s GLN 114 Ca 0.15 0.87 0.00 0.00 -1.82 0.00 0.00 55.36 54.56 1orm s GLN 114 Cb 0.01 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.45 1orm s GLN 114 CO 0.10 -0.12 0.00 0.34 -1.32 0.00 0.00 175.29 174.29 1orm n PHE 115 N 5.06 -1.11 -3.96 9.60 7.35 -1.26 -4.96 117.46 128.19 1orm n PHE 115 Ca -0.10 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.29 1orm n PHE 115 Cb 0.52 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.19 1orm n PHE 115 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1orm s ASN 116 N -0.69 4.10 0.00 -2.13 2.20 -1.26 -4.94 114.94 112.21 1orm s ASN 116 Ca 0.00 -1.38 0.00 0.00 -0.94 0.00 0.00 52.86 50.54 1orm s ASN 116 Cb 0.00 -1.29 0.00 0.00 -2.00 0.00 0.00 41.25 37.96 1orm s ASN 116 CO 0.00 -0.26 0.07 -0.81 -2.94 0.00 0.00 177.10 173.16 1orm n PRO 117 N 4.58 0.00 0.00 3.55 -0.04 -1.26 -5.03 135.00 136.80 1orm n PRO 117 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1orm n PRO 117 Cb 0.43 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 1orm n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1orm n MET 118 N -0.28 0.00 0.00 0.54 0.00 -1.26 -5.07 117.12 111.05 1orm n MET 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1orm n MET 118 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 33.22 33.21 1orm n MET 118 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1orm n GLU 119 N -1.84 0.00 -2.68 3.17 1.02 -1.26 -5.07 120.64 113.99 1orm n GLU 119 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1orm n GLU 119 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 1orm n GLU 119 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1orm n ASN 120 N -0.45 -1.55 -3.42 1.62 3.02 -1.26 -5.11 115.26 108.11 1orm n ASN 120 Ca 0.00 -1.78 -0.18 0.00 -0.03 0.00 0.00 54.58 52.59 1orm n ASN 120 Cb 0.00 0.85 -0.10 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.38 -0.36 0.47 2.41 0.11 -1.26 -4.73 120.40 117.41 1orm s VAL 121 Ca 0.26 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 58.88 1orm s VAL 121 Cb 0.19 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1orm s VAL 121 CO -0.10 -0.48 0.28 0.00 -3.33 0.00 0.00 175.10 171.47 1orm s ALA 122 N 2.33 4.03 -0.23 1.54 0.00 -1.26 -4.77 121.76 123.41 1orm s ALA 122 Ca 0.09 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 1orm s ALA 122 Cb -0.14 -0.59 0.10 0.00 0.00 0.00 0.00 23.12 22.49 1orm s ALA 122 CO -0.32 -0.27 0.51 -0.48 0.00 0.00 0.00 175.76 175.20 1orm s LEU 123 N -4.08 -0.75 0.00 0.00 0.05 -1.26 -3.82 118.68 108.82 1orm s LEU 123 Ca 0.37 1.20 0.02 0.00 0.05 0.00 0.00 54.13 55.77 1orm s LEU 123 Cb 0.00 1.72 0.02 0.00 -2.05 0.00 0.00 46.19 45.89 1orm s LEU 123 CO 0.21 -0.22 0.20 -0.90 -0.55 0.00 0.00 176.35 175.08 1orm n ASP 124 N 5.18 2.91 -3.64 1.48 5.75 -1.23 -4.87 116.55 122.12 1orm n ASP 124 Ca -0.12 -2.85 -0.06 0.00 -0.01 0.00 0.00 54.79 51.75 1orm n ASP 124 Cb 0.51 0.13 -0.07 0.00 -1.03 0.00 0.00 41.12 40.66 1orm n ASP 124 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1orm s PHE 125 N -2.55 -0.48 -0.12 2.11 -0.12 -1.26 -4.07 117.98 111.49 1orm s PHE 125 Ca 0.15 1.06 -0.00 0.00 -0.05 0.00 0.00 56.93 58.09 1orm s PHE 125 Cb -0.01 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 1orm s PHE 125 CO 0.09 -0.23 -0.11 -1.12 -0.05 0.00 0.00 175.22 173.80 1orm s SER 126 N 0.67 4.18 -0.17 1.98 0.01 -1.26 -4.27 113.70 114.85 1orm s SER 126 Ca -0.02 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.00 1orm s SER 126 Cb -0.04 -1.51 0.02 0.00 0.21 0.00 0.00 66.02 64.70 1orm s SER 126 CO -0.11 0.20 -0.19 -0.47 0.41 0.00 0.00 173.24 173.09 1orm s TYR 127 N 0.13 2.62 0.61 2.43 6.14 -1.26 -4.53 117.35 123.48 1orm s TYR 127 Ca -0.05 -1.53 0.04 0.00 0.64 0.00 0.00 57.07 56.17 1orm s TYR 127 Cb -0.15 -1.83 0.09 0.00 0.42 0.00 0.00 41.96 40.49 1orm s TYR 127 CO 0.04 -0.77 0.84 -1.21 0.64 0.00 0.00 175.55 175.10 1orm s GLU 128 N 1.33 2.15 0.17 4.97 8.01 -1.24 -3.75 118.70 130.34 1orm s GLU 128 Ca 0.05 -1.27 -0.24 0.00 0.01 0.00 0.00 54.97 53.51 1orm s GLU 128 Cb -0.13 -2.51 0.06 0.00 -4.31 0.00 0.00 34.13 27.23 1orm s GLU 128 CO -0.12 -1.01 0.90 -1.14 0.01 0.00 0.00 175.26 173.91 1orm s GLN 129 N -4.83 1.30 0.17 1.61 0.74 -1.26 -4.56 119.66 112.82 1orm s GLN 129 Ca 0.62 -0.70 -0.29 0.00 0.05 0.00 0.00 55.36 55.04 1orm s GLN 129 Cb -0.07 0.45 -0.07 0.00 1.10 0.00 0.00 33.01 34.42 1orm s GLN 129 CO 0.40 -0.59 0.91 0.45 -0.55 0.00 0.00 175.29 175.91 1orm s SER 130 N -2.91 7.53 0.00 6.67 0.15 -1.26 -4.75 113.70 119.13 1orm s SER 130 Ca 0.11 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1orm s SER 130 Cb -0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1orm s SER 130 CO 0.02 0.08 0.75 -1.14 1.20 0.00 0.00 173.24 174.15 1orm n ARG 131 N 2.06 0.00 0.00 5.44 3.00 -1.26 -5.03 116.66 120.86 1orm n ARG 131 Ca -0.01 -0.50 0.00 0.00 -0.00 0.00 0.00 57.85 57.34 1orm n ARG 131 Cb 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 32.70 1orm n ARG 131 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 1orm n ILE 132 N 0.00 0.00 -0.12 5.15 -0.00 -1.26 -4.97 119.36 118.16 1orm n ILE 132 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.71 1orm n ILE 132 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.21 1orm n ILE 132 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.55 176.46 1orm h ARG 133 N 0.00 -0.03 0.00 6.28 2.43 -1.99 -3.43 114.38 117.64 1orm h ARG 133 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1orm h ARG 133 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1orm h ARG 133 CO 0.00 -0.02 0.00 0.43 -1.51 0.00 0.00 179.97 178.87 1orm n SER 134 N -3.74 0.00 -4.73 -3.80 7.64 -1.26 -5.15 113.62 102.58 1orm n SER 134 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.50 1orm n SER 134 Cb 0.10 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.24 1orm n SER 134 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1orm s VAL 135 N 0.00 5.10 -0.62 0.44 1.01 -1.26 -5.01 120.40 120.05 1orm s VAL 135 Ca 0.00 1.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.85 1orm s VAL 135 Cb 0.00 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1orm s VAL 135 CO 0.00 0.33 1.10 -0.62 0.00 0.00 0.00 175.10 175.91 1orm s ASP 136 N 0.49 6.31 0.23 3.32 2.15 -1.26 -4.19 116.67 123.72 1orm s ASP 136 Ca 0.30 -0.32 0.11 0.00 0.43 0.00 0.00 52.55 53.06 1orm s ASP 136 Cb -0.16 -2.50 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 1orm s ASP 136 CO 0.14 -1.48 -0.16 0.54 -0.17 0.00 0.00 175.17 174.04 1orm s VAL 137 N 4.71 2.77 0.00 1.11 0.11 -1.26 -3.49 120.40 124.34 1orm s VAL 137 Ca 0.34 -2.04 0.00 0.00 -2.93 0.00 0.00 61.98 57.35 1orm s VAL 137 Cb -0.10 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.34 1orm s VAL 137 CO 0.19 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 1orm n GLY 138 N -0.26 -1.45 3.94 6.54 0.00 -1.25 -4.49 105.19 108.24 1orm n GLY 138 Ca -0.09 0.89 -0.25 0.00 0.00 0.00 0.00 46.02 46.57 1orm n GLY 138 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1orm s THR 139 N 0.00 2.25 -0.29 2.61 -1.32 -1.26 -4.16 115.64 113.47 1orm s THR 139 Ca 0.00 -0.33 0.04 0.00 -1.21 0.00 0.00 61.69 60.19 1orm s THR 139 Cb 0.00 -2.93 0.18 0.00 -1.51 0.00 0.00 72.50 68.24 1orm s THR 139 CO 0.00 0.00 0.51 0.86 -2.21 0.00 0.00 174.62 173.78 1orm s TRP 140 N -3.26 -1.46 0.38 9.09 -0.11 -1.26 -4.69 118.94 117.63 1orm s TRP 140 Ca 0.63 0.81 0.08 0.00 1.22 0.00 0.00 56.10 58.84 1orm s TRP 140 Cb -0.09 0.13 -0.03 0.00 -1.50 0.00 0.00 33.47 31.98 1orm s TRP 140 CO 0.45 -1.02 0.26 0.96 -4.62 0.00 0.00 176.95 172.98 1orm s ILE 141 N 2.70 2.87 -0.29 5.86 -4.36 -1.26 -4.29 121.20 122.43 1orm s ILE 141 Ca 0.11 -1.51 -0.04 0.00 -0.26 0.00 0.00 60.65 58.95 1orm s ILE 141 Cb -0.12 -3.03 0.10 0.00 1.25 0.00 0.00 42.46 40.67 1orm s ILE 141 CO -0.27 -0.09 0.15 0.00 0.24 0.00 0.00 174.94 174.97 1orm s ALA 142 N -2.45 0.51 -0.25 2.27 0.00 -1.26 -4.71 121.76 115.88 1orm s ALA 142 Ca 0.42 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1orm s ALA 142 Cb -0.02 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1orm s ALA 142 CO 0.25 -1.67 0.45 0.20 0.00 0.00 0.00 175.76 175.00 1orm s GLY 143 N 2.11 1.91 0.11 0.00 0.00 -1.26 -4.38 107.32 105.81 1orm s GLY 143 Ca 0.09 -0.64 0.07 0.00 0.00 0.00 0.00 44.72 44.25 1orm s GLY 143 CO -0.36 1.08 -0.10 0.14 0.00 0.00 0.00 173.10 173.87 1orm s VAL 144 N 2.03 3.37 0.29 1.40 1.01 -1.26 -3.51 120.40 123.72 1orm s VAL 144 Ca 0.19 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1orm s VAL 144 Cb -0.16 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1orm s VAL 144 CO 0.09 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1orm n GLY 145 N 0.62 -2.87 2.66 4.51 0.00 -1.25 -4.31 105.19 104.55 1orm n GLY 145 Ca -0.13 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.59 1orm n GLY 145 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1orm n TYR 146 N -3.15 -0.49 0.00 1.61 4.11 -1.22 -4.25 117.16 113.77 1orm n TYR 146 Ca -0.04 -0.78 0.00 0.00 -0.00 0.00 0.00 57.90 57.08 1orm n TYR 146 Cb 0.32 1.20 0.00 0.00 -0.00 0.00 0.00 39.34 40.86 1orm n TYR 146 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1orm n ARG 147 N -0.00 0.00 -0.36 -3.48 5.12 -1.24 -4.75 116.66 111.94 1orm n ARG 147 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 1orm n ARG 147 Cb 0.71 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.01 1orm n ARG 147 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04