#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1orm n THR 2 N 0.00 0.00 -4.19 0.00 -1.04 -0.34 -3.79 114.28 104.92 1orm n THR 2 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1orm n THR 2 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 1orm n THR 2 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1orm s SER 3 N 0.00 0.14 0.48 8.00 1.04 -1.25 -2.06 113.70 120.05 1orm s SER 3 Ca 0.00 -1.36 0.03 0.00 0.48 0.00 0.00 55.95 55.10 1orm s SER 3 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1orm s SER 3 CO 0.00 -0.86 0.02 0.42 0.98 0.00 0.00 173.24 173.80 1orm s THR 4 N -4.14 1.23 -0.84 2.02 -4.23 -0.90 -0.76 115.64 108.02 1orm s THR 4 Ca 0.38 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 1orm s THR 4 Cb 0.06 -2.35 0.27 0.00 1.34 0.00 0.00 72.50 71.83 1orm s THR 4 CO 0.12 0.00 1.06 0.52 -0.54 0.00 0.00 174.62 175.77 1orm n VAL 5 N -1.15 3.64 -4.39 2.29 0.31 0.73 -4.82 118.33 114.93 1orm n VAL 5 Ca -0.15 -5.52 -0.26 0.00 -0.01 0.00 0.00 64.34 58.41 1orm n VAL 5 Cb 0.67 -2.10 -0.12 0.00 -0.91 0.00 0.00 33.84 31.38 1orm n VAL 5 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1orm s THR 6 N -2.56 2.19 -0.42 2.52 -1.32 -1.26 -4.68 115.64 110.11 1orm s THR 6 Ca 0.36 -1.97 0.11 0.00 -1.21 0.00 0.00 61.69 58.97 1orm s THR 6 Cb 0.10 -2.02 0.37 0.00 -1.51 0.00 0.00 72.50 69.43 1orm s THR 6 CO 0.03 -0.15 0.84 0.61 -2.21 0.00 0.00 174.62 173.74 1orm n GLY 7 N 0.34 3.97 3.48 6.08 0.00 -1.26 -4.73 105.19 113.07 1orm n GLY 7 Ca -0.13 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 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 0.06 -1.43 3.04 -0.02 0.00 -1.24 -4.89 105.19 100.70 1orm n GLY 8 Ca 0.25 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1orm n GLY 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1orm s TYR 9 N -1.77 -0.14 0.19 1.61 5.04 -1.14 -3.98 117.35 117.16 1orm s TYR 9 Ca 0.68 0.33 0.05 0.00 -2.44 0.00 0.00 57.07 55.70 1orm s TYR 9 Cb -0.41 0.04 -0.04 0.00 0.35 0.00 0.00 41.96 41.91 1orm s TYR 9 CO 0.55 -0.10 0.16 0.00 -1.34 0.00 0.00 175.55 174.82 1orm s ALA 10 N -0.09 3.59 -0.54 3.97 0.00 -1.26 -4.01 121.76 123.42 1orm s ALA 10 Ca -0.02 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 1orm s ALA 10 Cb -0.02 -1.37 0.13 0.00 0.00 0.00 0.00 23.12 21.86 1orm s ALA 10 CO 0.00 0.44 0.50 -1.14 0.00 0.00 0.00 175.76 175.56 1orm s GLN 11 N -3.31 2.98 -0.78 0.00 0.74 -1.24 -4.63 119.66 113.42 1orm s GLN 11 Ca 0.32 -1.72 -0.25 0.00 0.05 0.00 0.00 55.36 53.75 1orm s GLN 11 Cb -0.10 -4.29 -0.02 0.00 1.10 0.00 0.00 33.01 29.70 1orm s GLN 11 CO 0.24 -1.32 1.83 -1.54 -0.55 0.00 0.00 175.29 173.95 1orm s SER 12 N 3.55 5.36 -0.30 6.67 1.04 -1.26 -4.20 113.70 124.56 1orm s SER 12 Ca 0.03 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1orm s SER 12 Cb -0.30 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.47 1orm s SER 12 CO 0.03 -2.44 0.71 1.51 0.98 0.00 0.00 173.24 174.02 1orm s ASP 13 N 7.57 -1.22 0.00 7.02 1.47 -1.26 -4.54 116.67 125.70 1orm s ASP 13 Ca 0.65 0.54 0.00 0.00 1.18 0.00 0.00 52.55 54.92 1orm s ASP 13 Cb -0.09 1.93 0.00 0.00 -0.34 0.00 0.00 42.92 44.43 1orm s ASP 13 CO 0.09 -0.23 0.00 0.00 0.68 0.00 0.00 175.17 175.71 1orm n ALA 14 N 5.41 0.00 -4.06 2.11 0.00 -1.26 -4.75 120.51 117.95 1orm n ALA 14 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.00 1orm n ALA 14 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.00 1orm n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1orm n GLN 15 N -0.45 -0.32 0.00 0.00 7.27 -1.23 -1.29 117.38 121.36 1orm n GLN 15 Ca 0.00 0.10 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1orm n GLN 15 Cb 0.00 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.32 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 -2.05 1.71 2.05 1.69 0.00 -1.26 -4.57 105.19 102.77 1orm n GLY 16 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.22 -0.18 -3.25 1.61 7.27 -0.42 -5.00 117.38 117.20 1orm n GLN 17 Ca 0.00 0.27 -0.07 0.00 0.07 0.00 0.00 57.00 57.27 1orm n GLN 17 Cb 0.00 -3.89 -0.04 0.00 2.41 0.00 0.00 30.24 28.73 1orm n GLN 17 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1orm s MET 18 N -3.49 0.77 -0.24 3.69 1.75 -1.25 -4.75 119.30 115.78 1orm s MET 18 Ca 0.00 -0.58 -0.11 0.00 -1.25 0.00 0.00 55.69 53.76 1orm s MET 18 Cb 0.00 -0.25 0.09 0.00 2.84 0.00 0.00 34.83 37.51 1orm s MET 18 CO 0.00 -1.21 0.54 -0.80 -0.65 0.00 0.00 175.02 172.91 1orm s ASN 19 N 1.59 -0.72 -0.58 1.11 -0.87 -1.26 -4.99 114.94 109.22 1orm s ASN 19 Ca 0.17 1.25 -0.21 0.00 -1.57 0.00 0.00 52.86 52.51 1orm s ASN 19 Cb -0.08 1.47 0.07 0.00 -0.02 0.00 0.00 41.25 42.69 1orm s ASN 19 CO -0.05 -0.22 0.81 -0.75 -2.57 0.00 0.00 177.10 174.31 1orm s LYS 20 N 2.16 3.14 -0.18 -0.60 2.47 -1.26 -4.45 119.74 121.02 1orm s LYS 20 Ca -0.07 -0.86 -0.03 0.00 -1.56 0.00 0.00 55.97 53.45 1orm s LYS 20 Cb -0.09 -4.17 0.06 0.00 -1.46 0.00 0.00 37.83 32.16 1orm s LYS 20 CO -0.16 -1.53 0.05 1.41 0.16 0.00 0.00 175.35 175.28 1orm s MET 21 N 3.34 0.45 0.05 4.03 -2.45 -1.25 -4.11 119.30 119.35 1orm s MET 21 Ca 0.19 -0.26 -0.22 0.00 -1.25 0.00 0.00 55.69 54.15 1orm s MET 21 Cb -0.18 -1.92 -0.06 0.00 1.25 0.00 0.00 34.83 33.92 1orm s MET 21 CO 0.11 -0.62 0.65 0.20 1.05 0.00 0.00 175.02 176.41 1orm s GLY 22 N 1.96 2.70 -0.03 2.11 0.00 -1.26 -4.26 107.32 108.54 1orm s GLY 22 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 44.72 44.91 1orm s GLY 22 CO -0.08 0.76 -0.22 -0.32 0.00 0.00 0.00 173.10 173.25 1orm s GLY 23 N -0.52 1.09 -0.23 0.20 0.00 -1.26 -4.56 107.32 102.04 1orm s GLY 23 Ca 0.33 -0.92 -0.04 0.00 0.00 0.00 0.00 44.72 44.08 1orm s GLY 23 CO 0.20 -0.68 0.42 -0.12 0.00 0.00 0.00 173.10 172.92 1orm s PHE 24 N -0.35 -0.90 0.08 1.90 2.19 -1.26 -4.03 117.98 115.61 1orm s PHE 24 Ca 0.04 1.19 0.08 0.00 0.33 0.00 0.00 56.93 58.57 1orm s PHE 24 Cb -0.10 0.19 -0.04 0.00 -1.31 0.00 0.00 43.02 41.76 1orm s PHE 24 CO 0.01 -0.65 -0.17 -0.80 1.83 0.00 0.00 175.22 175.44 1orm s ASN 25 N 2.61 3.92 -0.39 6.13 -0.87 -1.26 -4.34 114.94 120.74 1orm s ASN 25 Ca 0.08 -0.47 0.02 0.00 -1.57 0.00 0.00 52.86 50.92 1orm s ASN 25 Cb -0.14 -0.62 0.12 0.00 -0.02 0.00 0.00 41.25 40.59 1orm s ASN 25 CO -0.15 0.22 0.17 -0.22 -2.57 0.00 0.00 177.10 174.55 1orm s LEU 26 N -1.81 2.92 -0.48 0.60 2.96 -1.26 -3.73 118.68 117.88 1orm s LEU 26 Ca 0.17 -2.30 -0.43 0.00 -0.22 0.00 0.00 54.13 51.35 1orm s LEU 26 Cb -0.11 -1.10 -0.18 0.00 0.50 0.00 0.00 46.19 45.31 1orm s LEU 26 CO 0.08 -0.32 2.15 1.17 -1.32 0.00 0.00 176.35 178.11 1orm n LYS 27 N 3.99 0.15 -3.70 1.98 4.81 -1.26 -4.84 118.16 119.30 1orm n LYS 27 Ca 0.05 0.04 -0.36 0.00 -0.87 0.00 0.00 58.31 57.17 1orm n LYS 27 Cb 0.37 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 33.71 1orm n LYS 27 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1orm s TYR 28 N 6.19 3.63 -0.01 5.64 5.04 -1.26 -2.11 117.35 134.47 1orm s TYR 28 Ca 1.19 -2.91 0.00 0.00 -2.44 0.00 0.00 57.07 52.90 1orm s TYR 28 Cb -1.41 -3.18 -0.04 0.00 0.35 0.00 0.00 41.96 37.69 1orm s TYR 28 CO 0.64 -0.77 0.05 0.50 -1.34 0.00 0.00 175.55 174.63 1orm s ARG 29 N -0.77 2.96 -0.05 4.97 3.52 -0.88 -3.84 118.95 124.86 1orm s ARG 29 Ca 0.22 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1orm s ARG 29 Cb -0.13 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1orm s ARG 29 CO -0.08 0.64 -0.16 -0.47 -0.81 0.00 0.00 175.30 174.42 1orm s TYR 30 N -1.13 1.71 -0.35 5.12 5.04 -1.26 -1.20 117.35 125.28 1orm s TYR 30 Ca 0.21 -0.55 -0.15 0.00 -2.44 0.00 0.00 57.07 54.14 1orm s TYR 30 Cb -0.12 -1.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.01 1orm s TYR 30 CO 0.12 -0.22 0.33 -1.21 -1.34 0.00 0.00 175.55 173.22 1orm s GLU 31 N 0.24 3.51 0.18 4.97 0.41 -1.26 -4.74 118.70 122.00 1orm s GLU 31 Ca -0.08 -0.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.97 1orm s GLU 31 Cb -0.13 -3.82 -0.00 0.00 -1.78 0.00 0.00 34.13 28.40 1orm s GLU 31 CO 0.03 -0.52 0.01 -0.85 -0.49 0.00 0.00 175.26 173.44 1orm n GLU 32 N 5.31 1.45 -3.19 1.61 0.00 -1.26 -5.02 120.64 119.54 1orm n GLU 32 Ca -0.10 -1.31 -0.19 0.00 0.00 0.00 0.00 57.16 55.56 1orm n GLU 32 Cb 0.49 0.40 -0.04 0.00 0.00 0.00 0.00 31.44 32.30 1orm n GLU 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1orm n ASP 33 N -1.22 0.82 0.04 -1.84 9.92 -1.26 -4.85 116.55 118.16 1orm n ASP 33 Ca -0.07 -2.98 0.00 0.00 -0.53 0.00 0.00 54.79 51.21 1orm n ASP 33 Cb 0.23 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.09 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 0.42 -0.78 -4.58 -2.24 2.85 -1.26 -5.09 115.26 104.57 1orm n ASN 34 Ca 0.25 0.17 -0.40 0.00 -0.11 0.00 0.00 54.58 54.49 1orm n ASN 34 Cb 0.64 1.11 -0.08 0.00 1.24 0.00 0.00 39.78 42.69 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 -2.12 6.29 -1.21 1.20 0.15 -1.26 -4.96 113.70 111.79 1orm s SER 35 Ca 0.00 0.17 -0.09 0.00 0.70 0.00 0.00 55.95 56.73 1orm s SER 35 Cb 0.00 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 62.00 1orm s SER 35 CO 0.00 -0.31 2.43 -0.81 1.20 0.00 0.00 173.24 175.75 1orm n PRO 36 N 5.50 2.71 -3.41 5.44 -0.04 -1.26 -4.72 135.00 139.21 1orm n PRO 36 Ca -0.07 -1.82 -0.01 0.00 -0.04 0.00 0.00 63.50 61.57 1orm n PRO 36 Cb 0.50 -2.65 0.01 0.00 -0.04 0.00 0.00 33.50 31.32 1orm n PRO 36 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1orm n LEU 37 N 4.25 0.00 -3.69 1.53 -0.00 -1.26 -5.01 117.00 112.82 1orm n LEU 37 Ca 0.58 -0.86 -0.17 0.00 -0.00 0.00 0.00 56.01 55.56 1orm n LEU 37 Cb 0.20 1.94 -0.16 0.00 -0.00 0.00 0.00 43.42 45.40 1orm n LEU 37 CO 0.79 -0.29 -0.28 -0.83 -0.00 0.00 0.00 177.39 176.79 1orm s GLY 38 N -3.28 0.09 -0.00 1.47 0.00 -1.26 -4.89 107.32 99.45 1orm s GLY 38 Ca 0.20 0.45 -0.27 0.00 0.00 0.00 0.00 44.72 45.09 1orm s GLY 38 CO 0.03 1.38 0.87 0.54 0.00 0.00 0.00 173.10 175.92 1orm s VAL 39 N 1.95 4.86 -0.34 1.40 0.11 -1.26 -4.39 120.40 122.73 1orm s VAL 39 Ca 0.00 1.83 0.04 0.00 -2.93 0.00 0.00 61.98 60.92 1orm s VAL 39 Cb -0.12 -4.21 0.10 0.00 -1.53 0.00 0.00 36.38 30.62 1orm s VAL 39 CO -0.05 0.23 0.05 -0.63 -3.33 0.00 0.00 175.10 171.38 1orm s ILE 40 N 0.70 2.32 0.29 7.04 -1.09 -1.26 -4.35 121.20 124.85 1orm s ILE 40 Ca 0.46 -2.32 -0.05 0.00 -2.23 0.00 0.00 60.65 56.51 1orm s ILE 40 Cb -0.20 -2.70 0.07 0.00 -1.58 0.00 0.00 42.46 38.04 1orm s ILE 40 CO 0.25 -0.59 0.32 0.61 -1.23 0.00 0.00 174.94 174.30 1orm n GLY 41 N 4.27 -1.79 3.62 6.18 0.00 -1.25 -3.89 105.19 112.33 1orm n GLY 41 Ca 0.03 -1.59 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 1orm n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1orm s SER 42 N -2.28 -0.21 -0.29 1.61 1.04 -1.26 -4.61 113.70 107.70 1orm s SER 42 Ca 0.19 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.95 1orm s SER 42 Cb -0.01 0.28 0.16 0.00 0.10 0.00 0.00 66.02 66.55 1orm s SER 42 CO 0.14 -0.15 0.43 -0.36 0.98 0.00 0.00 173.24 174.29 1orm s PHE 43 N -0.62 -1.11 -0.17 5.02 0.08 -1.26 -4.71 117.98 115.21 1orm s PHE 43 Ca 0.04 0.50 0.01 0.00 0.12 0.00 0.00 56.93 57.60 1orm s PHE 43 Cb -0.02 -0.06 0.01 0.00 -0.57 0.00 0.00 43.02 42.38 1orm s PHE 43 CO -0.06 -0.97 -0.18 -0.08 -0.10 0.00 0.00 175.22 173.82 1orm s THR 44 N 2.59 2.27 0.26 0.64 -1.32 -1.26 -4.59 115.64 114.23 1orm s THR 44 Ca 0.10 -0.88 -0.24 0.00 -1.21 0.00 0.00 61.69 59.46 1orm s THR 44 Cb -0.12 -1.95 -0.09 0.00 -1.51 0.00 0.00 72.50 68.82 1orm s THR 44 CO -0.28 0.53 0.85 -0.72 -2.21 0.00 0.00 174.62 172.79 1orm s TYR 45 N 1.12 3.74 -0.73 9.09 -0.85 -1.26 -4.65 117.35 123.80 1orm s TYR 45 Ca 0.00 1.65 -0.16 0.00 -0.52 0.00 0.00 57.07 58.04 1orm s TYR 45 Cb -0.14 -2.81 0.17 0.00 0.38 0.00 0.00 41.96 39.56 1orm s TYR 45 CO -0.07 0.32 0.74 0.99 -1.52 0.00 0.00 175.55 176.00 1orm s THR 46 N -1.48 5.28 -0.44 -3.49 2.01 -1.26 -4.66 115.64 111.59 1orm s THR 46 Ca 0.45 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.37 1orm s THR 46 Cb -0.19 -4.48 0.03 0.00 0.01 0.00 0.00 72.50 67.86 1orm s THR 46 CO 0.24 -1.07 0.58 -0.70 -0.69 0.00 0.00 174.62 172.98 1orm s GLU 47 N 1.23 3.21 0.09 4.92 2.56 -1.26 -4.79 118.70 124.65 1orm s GLU 47 Ca 0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 54.97 54.58 1orm s GLU 47 Cb -0.17 -3.97 -0.04 0.00 2.00 0.00 0.00 34.13 31.95 1orm s GLU 47 CO -0.04 -0.98 -0.01 0.21 -0.56 0.00 0.00 175.26 173.88 1orm s LYS 48 N 2.60 0.78 1.05 4.30 2.20 -1.26 -3.89 119.74 125.52 1orm s LYS 48 Ca 0.19 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 54.47 1orm s LYS 48 Cb -0.15 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.26 1orm s LYS 48 CO 0.17 -0.13 0.00 -1.13 -0.36 0.00 0.00 175.35 173.90 1orm n SER 49 N -0.01 0.00 -2.63 1.43 3.41 -1.26 -4.62 113.62 109.94 1orm n SER 49 Ca -0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.46 1orm n SER 49 Cb 0.62 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.00 -4.23 0.01 4.33 0.63 -1.26 -4.97 116.66 111.17 1orm n ARG 50 Ca 0.00 3.19 -0.00 0.00 -0.92 0.00 0.00 57.85 60.12 1orm n ARG 50 Cb 0.00 -4.46 -0.00 0.00 0.45 0.00 0.00 32.46 28.45 1orm n ARG 50 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1orm h THR 51 N 4.28 0.00 0.00 5.15 2.02 -1.88 -3.49 112.91 118.99 1orm h THR 51 Ca -0.45 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1orm h THR 51 Cb 1.01 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1orm h THR 51 CO 0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.90 1orm n ALA 52 N -2.04 0.00 -3.05 6.16 0.00 -1.26 -5.05 120.51 115.27 1orm n ALA 52 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1orm n ALA 52 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1orm n ALA 52 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1orm s SER 53 N -2.00 -0.60 -0.09 0.00 0.01 -1.26 -4.97 113.70 104.80 1orm s SER 53 Ca 0.00 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.21 1orm s SER 53 Cb 0.00 1.17 0.00 0.00 0.21 0.00 0.00 66.02 67.40 1orm s SER 53 CO 0.00 -0.10 0.07 -0.24 0.41 0.00 0.00 173.24 173.39 1orm n SER 54 N 4.72 -2.14 -0.02 2.44 2.88 -1.26 -5.01 113.62 115.23 1orm n SER 54 Ca 0.08 -0.04 -0.05 0.00 -1.33 0.00 0.00 58.87 57.53 1orm n SER 54 Cb 0.59 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 63.22 1orm n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1orm n GLY 55 N -0.82 -0.30 0.00 0.46 0.00 -1.26 -5.12 105.19 98.14 1orm n GLY 55 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.00 0.00 -3.81 1.61 5.75 -1.26 -4.96 116.55 109.88 1orm n ASP 56 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.57 1orm n ASP 56 Cb 0.28 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.23 1orm n ASP 56 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1orm s TYR 57 N -2.00 -0.07 0.25 2.11 2.02 -1.26 -3.79 117.35 114.61 1orm s TYR 57 Ca 0.00 0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.64 1orm s TYR 57 Cb 0.00 -0.05 -0.09 0.00 -0.40 0.00 0.00 41.96 41.42 1orm s TYR 57 CO 0.00 -0.07 1.00 -0.80 -1.57 0.00 0.00 175.55 174.11 1orm s ASN 58 N 0.49 7.51 1.05 2.29 -0.87 -1.26 -4.17 114.94 119.97 1orm s ASN 58 Ca -0.04 2.07 -0.16 0.00 -1.57 0.00 0.00 52.86 53.16 1orm s ASN 58 Cb -0.05 -2.62 0.13 0.00 -0.02 0.00 0.00 41.25 38.69 1orm s ASN 58 CO -0.02 0.05 0.09 2.29 -2.57 0.00 0.00 177.10 176.94 1orm n LYS 59 N 1.38 -1.95 -1.47 -0.60 2.85 -1.26 -4.77 118.16 112.34 1orm n LYS 59 Ca -0.02 -0.57 0.00 0.00 -1.05 0.00 0.00 58.31 56.67 1orm n LYS 59 Cb 0.46 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 1orm n LYS 59 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1orm n ASN 60 N -1.13 -1.96 -4.63 -5.58 2.85 -0.78 -4.91 115.26 99.12 1orm n ASN 60 Ca 0.04 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.25 1orm n ASN 60 Cb 0.47 -0.98 -0.09 0.00 1.24 0.00 0.00 39.78 40.42 1orm n ASN 60 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1orm s GLN 61 N -0.93 2.03 -0.02 1.20 0.74 -1.25 -4.89 119.66 116.54 1orm s GLN 61 Ca 0.00 -1.84 -0.30 0.00 0.05 0.00 0.00 55.36 53.27 1orm s GLN 61 Cb 0.00 -1.86 -0.03 0.00 1.10 0.00 0.00 33.01 32.23 1orm s GLN 61 CO 0.00 0.08 0.98 1.52 -0.55 0.00 0.00 175.29 177.32 1orm s TYR 62 N -2.57 3.63 -0.14 1.67 -0.85 -1.26 -4.02 117.35 113.82 1orm s TYR 62 Ca 0.35 1.68 0.05 0.00 -0.52 0.00 0.00 57.07 58.64 1orm s TYR 62 Cb 0.02 -3.13 0.17 0.00 0.38 0.00 0.00 41.96 39.40 1orm s TYR 62 CO 0.19 -0.05 0.93 0.98 -1.52 0.00 0.00 175.55 176.09 1orm n TYR 63 N 4.09 -0.86 -3.91 -3.49 9.36 -1.26 -4.96 117.16 116.13 1orm n TYR 63 Ca 0.06 -0.71 -0.35 0.00 3.32 0.00 0.00 57.90 60.22 1orm n TYR 63 Cb 0.51 0.97 -0.06 0.00 -0.63 0.00 0.00 39.34 40.13 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 -0.47 2.16 -0.33 2.98 0.00 -1.26 -4.00 107.32 106.40 1orm s GLY 64 Ca 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 1orm s GLY 64 CO -0.05 -0.52 0.15 -0.42 0.00 0.00 0.00 173.10 172.26 1orm s ILE 65 N -1.17 0.49 0.22 0.90 1.09 -1.22 -4.74 121.20 116.78 1orm s ILE 65 Ca 0.21 -1.43 0.02 0.00 -1.10 0.00 0.00 60.65 58.35 1orm s ILE 65 Cb -0.12 -1.38 -0.03 0.00 -1.06 0.00 0.00 42.46 39.86 1orm s ILE 65 CO 0.11 -0.79 0.37 -0.89 -0.10 0.00 0.00 174.94 173.64 1orm s THR 66 N 1.47 5.25 0.03 2.92 2.01 -1.26 -4.31 115.64 121.74 1orm s THR 66 Ca 0.12 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 1orm s THR 66 Cb -0.19 -3.80 0.10 0.00 0.01 0.00 0.00 72.50 68.62 1orm s THR 66 CO -0.19 -0.25 1.21 0.00 -0.69 0.00 0.00 174.62 174.70 1orm s ALA 67 N -1.93 -2.13 0.00 7.40 0.00 -1.25 -4.26 121.76 119.59 1orm s ALA 67 Ca 0.36 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1orm s ALA 67 Cb -0.10 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.58 1orm s ALA 67 CO 0.30 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1orm n GLY 68 N -0.60 3.67 1.28 0.00 0.00 -1.26 -3.73 105.19 104.55 1orm n GLY 68 Ca -0.05 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 1orm n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1orm n PRO 69 N -1.37 -1.09 -2.90 1.61 -0.04 -1.26 -4.31 135.00 125.64 1orm n PRO 69 Ca 0.00 -0.66 0.02 0.00 -0.04 0.00 0.00 63.50 62.82 1orm n PRO 69 Cb 0.00 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1orm n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1orm s ALA 70 N -3.51 -3.89 -0.30 0.55 0.00 -1.26 -4.82 121.76 108.53 1orm s ALA 70 Ca 0.25 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 53.16 1orm s ALA 70 Cb -0.02 -2.93 0.17 0.00 0.00 0.00 0.00 23.12 20.34 1orm s ALA 70 CO 0.19 -2.40 0.77 1.52 0.00 0.00 0.00 175.76 175.83 1orm s TYR 71 N 2.00 -1.18 -0.07 0.00 1.13 -1.26 -3.87 117.35 114.08 1orm s TYR 71 Ca 0.15 1.48 -0.03 0.00 -1.41 0.00 0.00 57.07 57.27 1orm s TYR 71 Cb 0.01 0.50 -0.01 0.00 -1.10 0.00 0.00 41.96 41.36 1orm s TYR 71 CO -0.13 -0.63 -0.05 -0.09 -2.51 0.00 0.00 175.55 172.13 1orm h ARG 72 N 7.93 0.00 -0.66 -3.49 2.43 -1.90 -3.47 114.38 115.23 1orm h ARG 72 Ca -0.19 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1orm h ARG 72 Cb 1.15 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.54 1orm h ARG 72 CO 0.13 0.00 -0.39 1.51 -1.51 0.00 0.00 179.97 179.70 1orm n ILE 73 N -3.73 0.00 -4.03 1.20 0.00 -1.26 -4.97 119.36 106.57 1orm n ILE 73 Ca -0.02 -0.87 -0.38 0.00 0.00 0.00 0.00 62.75 61.48 1orm n ILE 73 Cb 0.08 0.98 -0.00 0.00 0.00 0.00 0.00 39.64 40.69 1orm n ILE 73 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1orm n ASN 74 N 2.65 -2.95 0.00 9.51 5.15 -1.26 -4.89 115.26 123.46 1orm n ASN 74 Ca 0.15 -1.20 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1orm n ASN 74 Cb 0.59 -2.18 0.00 0.00 -0.53 0.00 0.00 39.78 37.66 1orm n ASN 74 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1orm n ASP 75 N -2.50 0.00 0.00 1.20 9.92 -1.26 -5.07 116.55 118.84 1orm n ASP 75 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 1orm n ASP 75 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1orm n ASP 75 CO 0.00 0.00 0.00 0.79 0.13 0.00 0.00 177.20 178.12 1orm n TRP 76 N -0.76 0.00 -1.29 1.24 8.01 -1.26 -5.11 117.44 118.26 1orm n TRP 76 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1orm n TRP 76 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1orm n ALA 77 N 0.00 -2.18 0.00 6.99 0.00 -1.25 -4.74 120.51 119.33 1orm n ALA 77 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1orm n ALA 77 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1orm n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm n SER 78 N -0.11 0.00 -3.85 0.00 2.88 -1.26 -4.15 113.62 107.13 1orm n SER 78 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1orm n SER 78 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1orm n SER 78 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1orm s ILE 79 N 0.00 0.67 0.71 2.46 -1.16 -0.92 -4.53 121.20 118.42 1orm s ILE 79 Ca 0.00 -0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.05 1orm s ILE 79 Cb 0.00 -0.74 0.12 0.00 0.61 0.00 0.00 42.46 42.45 1orm s ILE 79 CO 0.00 0.30 0.97 -0.72 -2.81 0.00 0.00 174.94 172.68 1orm s TYR 80 N 1.62 1.56 0.00 3.50 1.13 -1.26 -4.28 117.35 119.62 1orm s TYR 80 Ca 0.01 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 1orm s TYR 80 Cb -0.13 -2.92 0.00 0.00 -1.10 0.00 0.00 41.96 37.81 1orm s TYR 80 CO -0.05 -1.66 0.00 0.41 -2.51 0.00 0.00 175.55 171.74 1orm n GLY 81 N -2.78 0.69 3.85 5.49 0.00 -1.25 -4.92 105.19 106.28 1orm n GLY 81 Ca 0.15 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.25 4.69 -0.45 1.61 -7.23 -1.26 -5.02 120.40 110.49 1orm s VAL 82 Ca 0.00 0.92 -0.13 0.00 -1.81 0.00 0.00 61.98 60.96 1orm s VAL 82 Cb 0.00 -3.62 0.07 0.00 0.56 0.00 0.00 36.38 33.40 1orm s VAL 82 CO 0.00 -0.20 0.33 0.54 -0.31 0.00 0.00 175.10 175.46 1orm s VAL 83 N -2.00 4.85 -0.25 1.32 0.11 -1.24 -4.77 120.40 118.42 1orm s VAL 83 Ca 0.54 -1.16 -0.10 0.00 -2.93 0.00 0.00 61.98 58.33 1orm s VAL 83 Cb -0.10 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.80 1orm s VAL 83 CO 0.18 -0.53 0.15 -0.83 -3.33 0.00 0.00 175.10 170.75 1orm s GLY 84 N 2.34 1.94 -0.60 6.54 0.00 -1.26 -3.87 107.32 112.41 1orm s GLY 84 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.85 1orm s GLY 84 CO 0.05 0.44 0.40 0.14 0.00 0.00 0.00 173.10 174.13 1orm s VAL 85 N 1.22 2.29 -0.17 1.40 1.01 -1.26 -4.48 120.40 120.41 1orm s VAL 85 Ca 0.07 -3.69 -0.11 0.00 0.00 0.00 0.00 61.98 58.25 1orm s VAL 85 Cb -0.14 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1orm s VAL 85 CO 0.06 -0.99 0.20 -0.83 0.00 0.00 0.00 175.10 173.53 1orm s GLY 86 N -0.84 2.13 -0.28 4.51 0.00 -1.26 -3.42 107.32 108.15 1orm s GLY 86 Ca 0.24 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1orm s GLY 86 CO -0.12 0.16 0.29 -0.19 0.00 0.00 0.00 173.10 173.23 1orm s TYR 87 N 0.14 -0.43 -0.17 1.90 2.02 -1.26 -4.16 117.35 115.40 1orm s TYR 87 Ca 0.12 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.55 1orm s TYR 87 Cb -0.12 -0.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.93 1orm s TYR 87 CO 0.01 -0.90 0.20 0.20 -1.57 0.00 0.00 175.55 173.50 1orm s GLY 88 N 2.35 2.13 0.72 0.71 0.00 -1.26 -4.51 107.32 107.47 1orm s GLY 88 Ca 0.09 -0.58 -0.09 0.00 0.00 0.00 0.00 44.72 44.14 1orm s GLY 88 CO -0.32 0.19 1.07 1.25 0.00 0.00 0.00 173.10 175.29 1orm s LYS 89 N 0.20 2.34 0.09 2.90 2.20 -1.26 -4.18 119.74 122.03 1orm s LYS 89 Ca 0.12 0.03 -0.14 0.00 -0.36 0.00 0.00 55.97 55.63 1orm s LYS 89 Cb -0.12 -2.08 -0.06 0.00 -1.51 0.00 0.00 37.83 34.05 1orm s LYS 89 CO 0.01 -1.25 0.48 -0.59 -0.36 0.00 0.00 175.35 173.65 1orm s PHE 90 N -3.34 3.64 -0.45 4.03 -0.12 -1.26 -1.86 117.98 118.62 1orm s PHE 90 Ca 0.59 0.99 0.07 0.00 -0.05 0.00 0.00 56.93 58.54 1orm s PHE 90 Cb -0.11 -2.31 0.30 0.00 -0.63 0.00 0.00 43.02 40.27 1orm s PHE 90 CO 0.47 0.51 0.96 1.04 -0.05 0.00 0.00 175.22 178.15 1orm n GLN 91 N 1.12 0.93 -3.81 1.99 1.13 -1.26 -4.95 117.38 112.52 1orm n GLN 91 Ca -0.08 -2.20 -0.36 0.00 -1.94 0.00 0.00 57.00 52.42 1orm n GLN 91 Cb 0.52 -1.26 -0.12 0.00 0.11 0.00 0.00 30.24 29.49 1orm n GLN 91 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1orm s THR 92 N -0.14 3.23 -0.31 5.09 -1.32 -1.26 -4.16 115.64 116.77 1orm s THR 92 Ca 0.28 -1.80 -0.02 0.00 -1.21 0.00 0.00 61.69 58.93 1orm s THR 92 Cb 0.27 -3.09 0.11 0.00 -1.51 0.00 0.00 72.50 68.28 1orm s THR 92 CO -0.11 -0.49 0.15 0.28 -2.21 0.00 0.00 174.62 172.23 1orm s THR 93 N 1.19 0.17 0.04 5.08 -1.32 -1.26 -4.39 115.64 115.15 1orm s THR 93 Ca 0.04 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1orm s THR 93 Cb -0.22 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 1orm s THR 93 CO -0.03 -0.78 0.00 1.21 -2.21 0.00 0.00 174.62 172.81 1orm n GLU 94 N 4.88 0.00 -1.95 7.08 0.00 -1.26 -4.85 120.64 124.53 1orm n GLU 94 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.86 1orm n GLU 94 Cb 0.41 0.00 0.09 0.00 0.00 0.00 0.00 31.44 31.94 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 2.88 0.20 4.31 1.51 -1.26 -5.03 117.35 117.96 1orm s TYR 95 Ca 0.00 0.68 -0.30 0.00 -1.01 0.00 0.00 57.07 56.44 1orm s TYR 95 Cb 0.00 -3.48 -0.08 0.00 -0.11 0.00 0.00 41.96 38.29 1orm s TYR 95 CO 0.00 -1.76 1.11 -1.25 -1.11 0.00 0.00 175.55 172.54 1orm s PRO 96 N -5.54 4.60 -1.66 -1.71 0.04 -1.26 -3.33 135.00 126.14 1orm s PRO 96 Ca 0.62 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 1orm s PRO 96 Cb -0.11 -3.25 0.14 0.00 0.04 0.00 0.00 34.50 31.32 1orm s PRO 96 CO 0.48 0.09 0.78 0.25 0.04 0.00 0.00 177.00 178.65 1orm n THR 97 N 2.09 -1.30 -0.79 1.26 -2.24 -1.26 -4.87 114.28 107.17 1orm n THR 97 Ca 0.02 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 1orm n THR 97 Cb 0.46 -1.89 0.11 0.00 -2.10 0.00 0.00 70.33 66.91 1orm n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1orm n TYR 98 N -4.42 -1.40 0.00 4.78 0.18 -1.21 -4.97 117.16 110.11 1orm n TYR 98 Ca 0.04 0.35 0.00 0.00 1.88 0.00 0.00 57.90 60.18 1orm n TYR 98 Cb 0.51 -1.48 0.00 0.00 -0.38 0.00 0.00 39.34 37.99 1orm n TYR 98 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1orm n LYS 99 N -0.18 0.00 -2.18 -3.48 4.01 -1.26 -4.94 118.16 110.12 1orm n LYS 99 Ca -0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.75 1orm n LYS 99 Cb 0.66 -0.28 0.00 0.00 -0.51 0.00 0.00 35.03 34.90 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1orm n ASN 100 N -0.01 -2.17 -3.24 4.39 2.85 -1.26 -5.00 115.26 110.81 1orm n ASN 100 Ca 0.00 -0.02 -0.04 0.00 -0.11 0.00 0.00 54.58 54.41 1orm n ASN 100 Cb 0.00 -1.43 -0.03 0.00 1.24 0.00 0.00 39.78 39.56 1orm n ASN 100 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1orm s ASP 101 N -2.84 -0.71 0.00 1.20 2.15 -1.26 -4.95 116.67 110.26 1orm s ASP 101 Ca 0.02 -0.67 -0.09 0.00 0.43 0.00 0.00 52.55 52.23 1orm s ASP 101 Cb -0.01 1.56 0.01 0.00 -0.30 0.00 0.00 42.92 44.18 1orm s ASP 101 CO 0.02 -0.25 0.19 -0.89 -0.17 0.00 0.00 175.17 174.07 1orm s THR 102 N 2.09 0.08 -0.38 1.71 2.01 -1.26 -5.09 115.64 114.79 1orm s THR 102 Ca 0.14 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1orm s THR 102 Cb -0.09 -0.51 0.14 0.00 0.01 0.00 0.00 72.50 72.05 1orm s THR 102 CO -0.14 -0.36 0.22 -0.55 -0.69 0.00 0.00 174.62 173.11 1orm s SER 103 N -1.42 3.15 0.31 3.53 0.15 -1.26 -4.49 113.70 113.67 1orm s SER 103 Ca -0.14 -2.36 -0.15 0.00 0.70 0.00 0.00 55.95 54.00 1orm s SER 103 Cb -0.07 -0.61 -0.09 0.00 -1.71 0.00 0.00 66.02 63.55 1orm s SER 103 CO 0.02 -0.29 0.72 -0.62 1.20 0.00 0.00 173.24 174.27 1orm s ASP 104 N 0.80 6.77 -0.30 5.45 -1.08 -1.26 -5.05 116.67 122.00 1orm s ASP 104 Ca 0.18 1.25 -0.07 0.00 -0.52 0.00 0.00 52.55 53.40 1orm s ASP 104 Cb -0.23 -2.36 0.19 0.00 -1.46 0.00 0.00 42.92 39.06 1orm s ASP 104 CO 0.00 -0.18 0.93 -0.72 0.52 0.00 0.00 175.17 175.71 1orm s TYR 105 N -1.95 -0.84 0.15 -5.34 1.13 -1.26 -4.25 117.35 104.99 1orm s TYR 105 Ca 0.53 0.48 0.08 0.00 -1.41 0.00 0.00 57.07 56.75 1orm s TYR 105 Cb -0.11 0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.86 1orm s TYR 105 CO 0.18 -0.49 -0.06 0.20 -2.51 0.00 0.00 175.55 172.87 1orm s GLY 106 N 2.90 1.76 -0.20 5.49 0.00 -1.26 -5.00 107.32 111.01 1orm s GLY 106 Ca 0.23 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.55 1orm s GLY 106 CO -0.24 -1.35 0.00 -1.36 0.00 0.00 0.00 173.10 170.15 1orm s PHE 107 N -1.55 3.04 0.11 1.90 0.40 -1.26 -4.19 117.98 116.43 1orm s PHE 107 Ca 0.25 -0.47 -0.19 0.00 -0.60 0.00 0.00 56.93 55.92 1orm s PHE 107 Cb -0.10 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.28 1orm s PHE 107 CO 0.16 -0.25 0.61 -1.12 0.70 0.00 0.00 175.22 175.32 1orm s SER 108 N 1.02 7.06 -0.11 1.36 0.01 -1.26 -4.60 113.70 117.18 1orm s SER 108 Ca 0.02 1.30 -0.13 0.00 1.31 0.00 0.00 55.95 58.45 1orm s SER 108 Cb -0.14 -2.37 0.03 0.00 0.21 0.00 0.00 66.02 63.75 1orm s SER 108 CO 0.02 0.21 0.34 -0.47 0.41 0.00 0.00 173.24 173.75 1orm s TYR 109 N -1.22 -0.34 0.14 2.43 5.04 -1.26 -4.39 117.35 117.73 1orm s TYR 109 Ca 0.33 0.81 -0.10 0.00 -2.44 0.00 0.00 57.07 55.66 1orm s TYR 109 Cb -0.19 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.28 1orm s TYR 109 CO 0.20 -0.22 0.51 0.41 -1.34 0.00 0.00 175.55 175.11 1orm n GLY 110 N 2.60 1.09 3.11 8.97 0.00 -1.26 -4.16 105.19 115.55 1orm n GLY 110 Ca -0.15 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1orm n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1orm s ALA 111 N -1.57 2.56 -0.87 4.61 0.00 -1.26 -3.79 121.76 121.45 1orm s ALA 111 Ca 0.11 -1.59 -0.23 0.00 0.00 0.00 0.00 51.96 50.26 1orm s ALA 111 Cb -0.02 -1.55 0.07 0.00 0.00 0.00 0.00 23.12 21.62 1orm s ALA 111 CO 0.04 -0.94 1.25 0.20 0.00 0.00 0.00 175.76 176.31 1orm s GLY 112 N 1.20 1.35 -0.30 0.00 0.00 -1.26 -4.46 107.32 103.85 1orm s GLY 112 Ca -0.04 -2.11 -0.03 0.00 0.00 0.00 0.00 44.72 42.54 1orm s GLY 112 CO -0.06 2.41 0.13 -2.27 0.00 0.00 0.00 173.10 173.30 1orm s LEU 113 N 4.44 1.07 0.02 0.66 2.96 -1.26 -2.17 118.68 124.41 1orm s LEU 113 Ca 0.36 -1.45 0.05 0.00 -0.22 0.00 0.00 54.13 52.87 1orm s LEU 113 Cb -0.06 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 1orm s LEU 113 CO -0.01 -0.42 -0.11 0.00 -1.32 0.00 0.00 176.35 174.48 1orm s GLN 114 N 1.89 2.35 0.50 1.98 -2.07 -1.26 -4.60 119.66 118.45 1orm s GLN 114 Ca 0.10 -0.83 0.02 0.00 -1.82 0.00 0.00 55.36 52.82 1orm s GLN 114 Cb -0.17 -2.37 -0.02 0.00 -1.09 0.00 0.00 33.01 29.36 1orm s GLN 114 CO -0.31 0.57 0.01 -0.06 -1.32 0.00 0.00 175.29 174.18 1orm s PHE 115 N -0.97 1.95 0.20 9.60 0.40 -1.26 -4.87 117.98 123.03 1orm s PHE 115 Ca 0.16 -0.92 -0.27 0.00 -0.60 0.00 0.00 56.93 55.30 1orm s PHE 115 Cb -0.11 -1.64 -0.08 0.00 0.51 0.00 0.00 43.02 41.70 1orm s PHE 115 CO 0.07 0.25 0.85 0.54 0.70 0.00 0.00 175.22 177.63 1orm s ASN 116 N -3.86 7.51 0.31 1.36 4.22 -1.26 -4.95 114.94 118.27 1orm s ASN 116 Ca 0.10 1.78 -0.28 0.00 -2.14 0.00 0.00 52.86 52.32 1orm s ASN 116 Cb 0.03 -2.55 -0.09 0.00 1.28 0.00 0.00 41.25 39.91 1orm s ASN 116 CO 0.05 0.19 1.07 -2.16 -2.04 0.00 0.00 177.10 174.21 1orm s PRO 117 N -1.16 4.54 -0.03 3.55 0.04 -1.26 -4.99 135.00 135.68 1orm s PRO 117 Ca 0.38 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1orm s PRO 117 Cb -0.24 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1orm s PRO 117 CO 0.29 0.15 0.64 1.98 0.04 0.00 0.00 177.00 180.10 1orm h MET 118 N 3.50 -0.53 0.00 4.56 4.05 -1.96 -3.45 114.93 121.10 1orm h MET 118 Ca -0.47 0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 58.96 1orm h MET 118 Cb 1.21 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1orm h MET 118 CO 0.66 -0.35 -0.57 -1.91 0.23 0.00 0.00 176.91 174.97 1orm n GLU 119 N -5.14 0.10 -2.65 0.39 2.13 -1.26 -5.04 120.64 109.16 1orm n GLU 119 Ca -0.07 0.04 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 1orm n GLU 119 Cb 0.22 -0.67 0.03 0.00 0.27 0.00 0.00 31.44 31.29 1orm n GLU 119 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1orm s ASN 120 N -5.80 -0.00 -0.30 4.31 -0.87 -1.26 -5.15 114.94 105.87 1orm s ASN 120 Ca -0.06 -0.00 -0.18 0.00 -1.57 0.00 0.00 52.86 51.05 1orm s ASN 120 Cb 0.01 0.00 0.19 0.00 -0.02 0.00 0.00 41.25 41.44 1orm s ASN 120 CO 0.08 -0.00 1.22 0.54 -2.57 0.00 0.00 177.10 176.37 1orm s VAL 121 N 1.34 -0.16 -0.10 1.60 0.11 -1.26 -5.08 120.40 116.84 1orm s VAL 121 Ca 0.19 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.14 1orm s VAL 121 Cb 0.12 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.93 1orm s VAL 121 CO -0.14 0.00 0.23 0.00 -3.33 0.00 0.00 175.10 171.87 1orm s ALA 122 N 2.16 3.76 -0.55 1.54 0.00 -1.26 -4.64 121.76 122.78 1orm s ALA 122 Ca -0.00 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.49 1orm s ALA 122 Cb -0.02 -2.17 0.15 0.00 0.00 0.00 0.00 23.12 21.08 1orm s ALA 122 CO -0.16 0.45 0.34 -0.51 0.00 0.00 0.00 175.76 175.87 1orm s LEU 123 N -0.64 3.71 0.49 0.00 1.43 -1.26 -4.61 118.68 117.80 1orm s LEU 123 Ca 0.17 -3.19 -0.18 0.00 -1.03 0.00 0.00 54.13 49.90 1orm s LEU 123 Cb -0.13 -1.34 -0.09 0.00 0.03 0.00 0.00 46.19 44.66 1orm s LEU 123 CO 0.06 -0.19 0.98 1.51 0.23 0.00 0.00 176.35 178.94 1orm s ASP 124 N -0.46 6.71 -0.12 2.29 1.47 -1.26 -4.84 116.67 120.45 1orm s ASP 124 Ca 0.21 1.63 -0.04 0.00 1.18 0.00 0.00 52.55 55.54 1orm s ASP 124 Cb -0.15 -2.52 0.06 0.00 -0.34 0.00 0.00 42.92 39.96 1orm s ASP 124 CO -0.07 -0.53 0.13 0.12 0.68 0.00 0.00 175.17 175.50 1orm s PHE 125 N -2.44 -0.03 -0.30 2.11 5.36 -1.26 -4.76 117.98 116.65 1orm s PHE 125 Ca 0.60 0.17 -0.14 0.00 -0.96 0.00 0.00 56.93 56.61 1orm s PHE 125 Cb -0.10 -0.46 0.19 0.00 -0.34 0.00 0.00 43.02 42.31 1orm s PHE 125 CO 0.25 -0.39 1.15 0.45 -1.46 0.00 0.00 175.22 175.21 1orm s SER 126 N 2.22 -0.06 -0.07 6.13 0.15 -1.26 -4.34 113.70 116.48 1orm s SER 126 Ca 0.04 -0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.39 1orm s SER 126 Cb -0.14 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1orm s SER 126 CO -0.07 -0.01 0.92 -0.31 1.20 0.00 0.00 173.24 174.97 1orm s TYR 127 N 2.11 3.56 -1.23 3.44 2.02 -1.26 -4.65 117.35 121.35 1orm s TYR 127 Ca 0.16 1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 58.23 1orm s TYR 127 Cb 0.04 -3.07 0.14 0.00 -0.40 0.00 0.00 41.96 38.67 1orm s TYR 127 CO -0.17 -0.10 1.52 -1.21 -1.57 0.00 0.00 175.55 174.02 1orm s GLU 128 N 1.48 4.04 -0.39 -0.62 2.02 -1.26 -4.47 118.70 119.50 1orm s GLU 128 Ca 0.46 -2.36 -0.27 0.00 0.02 0.00 0.00 54.97 52.83 1orm s GLU 128 Cb -0.19 -5.21 0.02 0.00 0.10 0.00 0.00 34.13 28.85 1orm s GLU 128 CO 0.21 -1.93 0.98 -1.14 0.02 0.00 0.00 175.26 173.40 1orm s GLN 129 N 2.49 3.82 0.58 1.61 0.74 -1.26 -4.35 119.66 123.28 1orm s GLN 129 Ca 0.46 0.60 -0.13 0.00 0.05 0.00 0.00 55.36 56.34 1orm s GLN 129 Cb -0.01 -3.82 -0.05 0.00 1.10 0.00 0.00 33.01 30.23 1orm s GLN 129 CO 0.02 -1.04 1.01 -1.12 -0.55 0.00 0.00 175.29 173.61 1orm s SER 130 N 1.98 6.37 -0.28 6.67 0.01 -1.26 -4.59 113.70 122.61 1orm s SER 130 Ca 0.41 1.46 0.08 0.00 1.31 0.00 0.00 55.95 59.21 1orm s SER 130 Cb -0.11 -2.48 0.45 0.00 0.21 0.00 0.00 66.02 64.09 1orm s SER 130 CO 0.21 -0.77 1.24 -1.14 0.41 0.00 0.00 173.24 173.20 1orm n ARG 131 N -2.33 2.82 -2.34 12.44 0.63 -1.26 -3.92 116.66 122.69 1orm n ARG 131 Ca 0.06 -3.80 -0.43 0.00 -0.92 0.00 0.00 57.85 52.76 1orm n ARG 131 Cb 0.54 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.41 1orm n ARG 131 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1orm n ILE 132 N -0.88 3.81 0.00 5.15 2.08 -1.25 -4.55 119.36 123.72 1orm n ILE 132 Ca 0.36 -3.81 0.00 0.00 0.56 0.00 0.00 62.75 59.86 1orm n ILE 132 Cb 0.87 -2.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.34 1orm n ILE 132 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1orm n ARG 133 N 7.73 0.00 -2.70 0.38 3.00 -1.26 -4.21 116.66 119.60 1orm n ARG 133 Ca 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 58.34 1orm n ARG 133 Cb 0.44 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.92 1orm n ARG 133 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1orm s SER 134 N 0.00 -0.21 0.00 6.15 1.04 -1.26 -5.15 113.70 114.27 1orm s SER 134 Ca 0.00 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1orm s SER 134 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1orm s SER 134 CO 0.00 -0.02 0.00 0.55 0.98 0.00 0.00 173.24 174.75 1orm n VAL 135 N 3.14 0.00 0.00 5.02 3.14 -1.25 -4.82 118.33 123.55 1orm n VAL 135 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 1orm n VAL 135 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 1orm n VAL 135 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1orm n ASP 136 N -0.27 0.00 -3.58 6.55 4.64 -1.26 -3.93 116.55 118.70 1orm n ASP 136 Ca 0.00 0.00 -0.05 0.00 -1.38 0.00 0.00 54.79 53.36 1orm n ASP 136 Cb 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.06 1orm n ASP 136 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1orm s VAL 137 N 0.00 0.00 0.01 5.18 0.11 -1.26 -3.49 120.40 120.95 1orm s VAL 137 Ca 0.00 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1orm s VAL 137 Cb 0.00 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1orm s VAL 137 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1orm n GLY 138 N -0.13 -3.45 1.96 6.54 0.00 -1.26 -4.43 105.19 104.42 1orm n GLY 138 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 1orm n GLY 138 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1orm n THR 139 N 0.23 0.00 0.00 2.61 5.66 -1.26 -4.02 114.28 117.50 1orm n THR 139 Ca 0.00 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1orm n THR 139 Cb 0.00 0.65 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1orm n THR 139 CO 0.00 0.00 0.00 1.87 -3.05 0.00 0.00 175.07 173.89 1orm n TRP 140 N -0.47 0.00 -4.19 1.09 -0.00 -1.26 -4.95 117.44 107.66 1orm n TRP 140 Ca -0.08 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.16 1orm n TRP 140 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.86 1orm n TRP 140 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1orm s ILE 141 N 0.00 3.84 -0.29 5.87 -5.25 -1.26 -3.74 121.20 120.37 1orm s ILE 141 Ca 0.00 -1.39 -0.24 0.00 -0.99 0.00 0.00 60.65 58.03 1orm s ILE 141 Cb 0.00 -2.94 0.15 0.00 2.95 0.00 0.00 42.46 42.62 1orm s ILE 141 CO 0.00 -0.12 1.21 0.00 -1.79 0.00 0.00 174.94 174.24 1orm s ALA 142 N -1.76 -2.11 -0.05 2.27 0.00 -1.26 -4.90 121.76 113.96 1orm s ALA 142 Ca 0.28 1.80 -0.31 0.00 0.00 0.00 0.00 51.96 53.73 1orm s ALA 142 Cb -0.09 -1.61 0.13 0.00 0.00 0.00 0.00 23.12 21.55 1orm s ALA 142 CO 0.19 -0.18 1.33 0.20 0.00 0.00 0.00 175.76 177.30 1orm s GLY 143 N 0.20 -0.44 0.51 0.00 0.00 -1.26 -2.90 107.32 103.43 1orm s GLY 143 Ca 0.04 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.60 1orm s GLY 143 CO -0.11 0.15 0.72 -1.34 0.00 0.00 0.00 173.10 172.52 1orm s VAL 144 N -2.31 3.01 -0.15 1.40 -7.23 -1.26 -4.50 120.40 109.36 1orm s VAL 144 Ca 0.14 -0.70 -0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1orm s VAL 144 Cb 0.05 -3.10 0.03 0.00 0.56 0.00 0.00 36.38 33.92 1orm s VAL 144 CO -0.05 -0.07 -0.09 -0.83 -0.31 0.00 0.00 175.10 173.75 1orm s GLY 145 N -4.37 1.02 -0.30 2.32 0.00 -1.26 -4.65 107.32 100.08 1orm s GLY 145 Ca 0.55 -0.83 -0.06 0.00 0.00 0.00 0.00 44.72 44.38 1orm s GLY 145 CO 0.37 0.74 0.89 -0.47 0.00 0.00 0.00 173.10 174.63 1orm s TYR 146 N 1.57 -0.94 0.42 1.90 5.04 -1.26 -4.82 117.35 119.26 1orm s TYR 146 Ca 0.03 0.63 -0.13 0.00 -2.44 0.00 0.00 57.07 55.16 1orm s TYR 146 Cb -0.14 0.19 -0.07 0.00 0.35 0.00 0.00 41.96 42.29 1orm s TYR 146 CO -0.09 -0.54 0.82 -0.98 -1.34 0.00 0.00 175.55 173.42 1orm s ARG 147 N 2.92 3.87 0.00 4.97 1.70 -1.26 -0.20 118.95 130.95 1orm s ARG 147 Ca 0.18 0.65 0.00 0.00 -0.47 0.00 0.00 55.73 56.09 1orm s ARG 147 Cb -0.06 -2.33 0.00 0.00 -0.57 0.00 0.00 34.95 31.99 1orm s ARG 147 CO -0.22 -0.06 0.00 0.34 -1.08 0.00 0.00 175.30 174.28