#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 -3.33 -1.93 0.00 5.66 -1.26 -4.83 114.28 108.60 1orm n THR 2 Ca 0.00 0.04 -0.39 0.00 -3.05 0.00 0.00 64.05 60.66 1orm n THR 2 Cb 0.00 -3.03 0.04 0.00 -1.55 0.00 0.00 70.33 65.79 1orm n THR 2 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1orm n SER 3 N -0.69 7.33 -4.19 1.09 7.64 -1.26 -4.94 113.62 118.60 1orm n SER 3 Ca -0.14 -3.83 -0.28 0.00 1.01 0.00 0.00 58.87 55.63 1orm n SER 3 Cb 0.63 -1.02 -0.16 0.00 -1.01 0.00 0.00 64.21 62.65 1orm n SER 3 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1orm s THR 4 N -5.10 1.68 -0.08 0.44 -1.32 -1.23 -3.59 115.64 106.44 1orm s THR 4 Ca 0.52 -0.86 0.04 0.00 -1.21 0.00 0.00 61.69 60.18 1orm s THR 4 Cb 0.44 -1.43 -0.01 0.00 -1.51 0.00 0.00 72.50 69.99 1orm s THR 4 CO -0.38 0.47 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.62 1orm s VAL 5 N -0.05 2.47 -0.86 5.08 1.01 -1.26 -4.82 120.40 121.97 1orm s VAL 5 Ca -0.03 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1orm s VAL 5 Cb -0.12 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.39 1orm s VAL 5 CO 0.03 0.56 1.14 0.28 0.00 0.00 0.00 175.10 177.10 1orm s THR 6 N -0.02 4.44 -0.48 3.92 -1.32 -1.26 -4.51 115.64 116.41 1orm s THR 6 Ca -0.06 -1.01 0.08 0.00 -1.21 0.00 0.00 61.69 59.49 1orm s THR 6 Cb -0.15 -4.80 0.28 0.00 -1.51 0.00 0.00 72.50 66.32 1orm s THR 6 CO 0.05 -1.58 0.67 0.61 -2.21 0.00 0.00 174.62 172.16 1orm n GLY 7 N 5.66 3.85 3.38 6.08 0.00 -1.26 -4.99 105.19 117.91 1orm n GLY 7 Ca 0.16 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 1orm n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1orm s GLY 8 N -2.04 -0.41 0.11 -0.02 0.00 -1.26 -3.83 107.32 99.87 1orm s GLY 8 Ca 0.39 0.46 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1orm s GLY 8 CO -0.08 0.16 0.01 2.98 0.00 0.00 0.00 173.10 176.17 1orm n TYR 9 N 0.24 0.08 -3.62 1.90 9.36 -1.26 -3.70 117.16 120.16 1orm n TYR 9 Ca -0.18 -0.52 -0.08 0.00 3.32 0.00 0.00 57.90 60.44 1orm n TYR 9 Cb 0.61 -0.07 -0.09 0.00 -0.63 0.00 0.00 39.34 39.16 1orm n TYR 9 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1orm s ALA 10 N -2.18 -1.26 -0.19 2.98 0.00 -1.22 -4.66 121.76 115.23 1orm s ALA 10 Ca 0.01 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 1orm s ALA 10 Cb -0.00 -1.42 0.05 0.00 0.00 0.00 0.00 23.12 21.75 1orm s ALA 10 CO 0.00 -0.83 -0.04 -1.14 0.00 0.00 0.00 175.76 173.76 1orm s GLN 11 N 2.64 1.34 0.00 0.00 0.74 -1.26 -4.12 119.66 119.00 1orm s GLN 11 Ca -0.00 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 54.80 1orm s GLN 11 Cb -0.12 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.84 1orm s GLN 11 CO -0.14 -0.50 0.00 0.45 -0.55 0.00 0.00 175.29 174.55 1orm n SER 12 N 4.86 0.00 0.00 6.67 2.88 -1.26 -4.29 113.62 122.47 1orm n SER 12 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1orm n SER 12 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1orm n SER 12 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1orm n ASP 13 N 0.00 0.36 -2.69 -3.46 -0.08 -1.26 -4.58 116.55 104.84 1orm n ASP 13 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1orm n ASP 13 Cb 0.00 0.00 0.09 0.00 2.34 0.00 0.00 41.12 43.55 1orm n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1orm n ALA 14 N -3.00 2.79 -0.55 -1.67 0.00 -1.26 -2.58 120.51 114.23 1orm n ALA 14 Ca 0.00 -1.70 0.07 0.00 0.00 0.00 0.00 53.44 51.81 1orm n ALA 14 Cb 0.00 -0.83 0.34 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.13 4.08 0.00 0.00 -0.06 -1.26 -4.63 117.38 114.38 1orm n GLN 15 Ca -0.08 -2.68 0.00 0.00 -2.00 0.00 0.00 57.00 52.23 1orm n GLN 15 Cb 0.85 -2.05 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 1orm n GLN 15 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1orm n GLY 16 N 0.73 0.00 0.19 1.69 0.00 -1.26 -4.70 105.19 101.84 1orm n GLY 16 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.00 0.00 1.61 -0.06 -1.26 -5.00 117.38 112.66 1orm n GLN 17 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1orm n GLN 17 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1orm n GLN 17 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 1orm n MET 18 N -2.67 0.00 -0.10 3.69 1.56 -1.07 -4.20 117.12 114.33 1orm n MET 18 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.24 1orm n MET 18 Cb 0.00 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.28 1orm n MET 18 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1orm n ASN 19 N 3.19 1.87 0.00 6.12 0.23 -1.26 -4.44 115.26 120.96 1orm n ASN 19 Ca 0.00 0.45 0.00 0.00 -0.53 0.00 0.00 54.58 54.50 1orm n ASN 19 Cb 0.00 -0.91 0.00 0.00 -2.08 0.00 0.00 39.78 36.79 1orm n ASN 19 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1orm n LYS 20 N -4.44 0.00 -3.12 -3.83 4.81 -1.26 -3.87 118.16 106.45 1orm n LYS 20 Ca -0.30 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.19 1orm n LYS 20 Cb 0.62 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.67 1orm n LYS 20 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1orm s MET 21 N 0.00 0.35 0.48 1.64 1.75 -1.26 -4.85 119.30 117.40 1orm s MET 21 Ca 0.00 0.24 0.07 0.00 -1.25 0.00 0.00 55.69 54.75 1orm s MET 21 Cb 0.00 0.13 0.01 0.00 2.84 0.00 0.00 34.83 37.81 1orm s MET 21 CO 0.00 -0.62 0.39 0.20 -0.65 0.00 0.00 175.02 174.34 1orm s GLY 22 N 2.74 2.25 0.00 2.11 0.00 -1.25 -4.74 107.32 108.43 1orm s GLY 22 Ca 0.19 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1orm s GLY 22 CO -0.22 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 171.65 1orm n GLY 23 N -1.64 0.35 3.96 0.20 0.00 -1.26 -3.83 105.19 102.97 1orm n GLY 23 Ca 0.01 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 1orm n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1orm s PHE 24 N -2.74 3.43 -0.37 1.61 0.40 -1.26 -3.39 117.98 115.66 1orm s PHE 24 Ca 0.00 -0.01 0.12 0.00 -0.60 0.00 0.00 56.93 56.43 1orm s PHE 24 Cb 0.00 -1.57 0.44 0.00 0.51 0.00 0.00 43.02 42.41 1orm s PHE 24 CO 0.00 0.45 1.04 -1.71 0.70 0.00 0.00 175.22 175.71 1orm n ASN 25 N -1.30 3.14 -0.49 1.36 5.15 -1.24 -3.65 115.26 118.24 1orm n ASN 25 Ca -0.09 -3.20 0.00 0.00 -0.60 0.00 0.00 54.58 50.69 1orm n ASN 25 Cb 0.57 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1orm n ASN 25 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1orm n LEU 26 N -0.31 0.00 0.00 1.20 4.77 -1.24 -4.45 117.00 116.97 1orm n LEU 26 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1orm n LEU 26 Cb 0.75 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1orm n LEU 26 CO 0.29 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.64 1orm n LYS 27 N 0.00 0.00 -3.64 3.23 5.02 -1.26 -4.80 118.16 116.71 1orm n LYS 27 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1orm n LYS 27 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1orm n LYS 27 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1orm s TYR 28 N 0.00 -0.09 0.21 2.13 1.13 -1.26 -4.51 117.35 114.96 1orm s TYR 28 Ca 0.00 0.18 -0.01 0.00 -1.41 0.00 0.00 57.07 55.83 1orm s TYR 28 Cb 0.00 0.48 0.01 0.00 -1.10 0.00 0.00 41.96 41.35 1orm s TYR 28 CO 0.00 -0.06 0.30 0.54 -2.51 0.00 0.00 175.55 173.82 1orm n ARG 29 N 1.11 0.43 -4.00 -3.49 5.12 -1.26 -4.69 116.66 109.87 1orm n ARG 29 Ca -0.06 -1.65 -0.35 0.00 -1.93 0.00 0.00 57.85 53.87 1orm n ARG 29 Cb 0.58 1.60 -0.10 0.00 -1.16 0.00 0.00 32.46 33.38 1orm n ARG 29 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1orm s TYR 30 N -3.82 3.22 -0.18 -1.55 -0.85 -1.26 -4.11 117.35 108.79 1orm s TYR 30 Ca 0.17 0.01 -0.23 0.00 -0.52 0.00 0.00 57.07 56.49 1orm s TYR 30 Cb -0.01 -2.09 0.06 0.00 0.38 0.00 0.00 41.96 40.30 1orm s TYR 30 CO 0.12 0.09 0.62 -1.21 -1.52 0.00 0.00 175.55 173.65 1orm s GLU 31 N 0.51 0.80 0.00 -3.49 2.02 -1.26 -4.27 118.70 113.01 1orm s GLU 31 Ca 0.03 0.68 0.00 0.00 0.02 0.00 0.00 54.97 55.69 1orm s GLU 31 Cb -0.13 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.49 1orm s GLU 31 CO 0.01 -0.15 0.00 -1.91 0.02 0.00 0.00 175.26 173.23 1orm n GLU 32 N 2.25 3.60 -0.01 1.61 2.13 -1.26 -4.34 120.64 124.61 1orm n GLU 32 Ca -0.15 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.45 1orm n GLU 32 Cb 0.56 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.13 1orm n GLU 32 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1orm h ASP 33 N 0.00 0.34 -1.84 4.31 3.58 -1.94 -3.28 116.42 117.58 1orm h ASP 33 Ca 0.00 -0.84 -0.54 0.00 0.42 0.00 0.00 57.03 56.07 1orm h ASP 33 Cb 0.00 -0.11 -0.41 0.00 1.72 0.00 0.00 39.33 40.53 1orm h ASP 33 CO 0.00 1.74 -0.85 -3.20 -2.88 0.00 0.00 179.24 174.05 1orm n ASN 34 N -3.77 3.46 -4.65 2.28 5.15 -1.26 -4.92 115.26 111.54 1orm n ASN 34 Ca -0.30 -3.44 -0.42 0.00 -0.60 0.00 0.00 54.58 49.82 1orm n ASN 34 Cb 0.95 -0.54 -0.03 0.00 -0.53 0.00 0.00 39.78 39.63 1orm n ASN 34 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1orm s SER 35 N -3.25 6.96 0.29 1.20 0.01 -1.26 -4.91 113.70 112.74 1orm s SER 35 Ca 0.44 1.19 0.14 0.00 1.31 0.00 0.00 55.95 59.03 1orm s SER 35 Cb 0.35 -2.49 0.35 0.00 0.21 0.00 0.00 66.02 64.44 1orm s SER 35 CO -0.12 -0.62 1.58 1.55 0.41 0.00 0.00 173.24 176.04 1orm h PRO 36 N 7.62 0.00 -3.97 12.44 0.13 -1.99 -3.41 132.00 142.82 1orm h PRO 36 Ca -0.21 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.35 1orm h PRO 36 Cb 1.07 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.81 1orm h PRO 36 CO 0.94 0.55 -0.77 -1.17 -0.23 0.00 0.00 178.00 177.31 1orm s LEU 37 N -7.00 2.09 -0.04 1.56 2.96 -1.26 -4.77 118.68 112.22 1orm s LEU 37 Ca 0.01 -1.14 0.05 0.00 -0.22 0.00 0.00 54.13 52.83 1orm s LEU 37 Cb 0.10 -0.94 -0.01 0.00 0.50 0.00 0.00 46.19 45.85 1orm s LEU 37 CO 0.73 -0.29 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.45 1orm s GLY 38 N 1.58 1.05 -0.14 7.98 0.00 -1.26 -5.01 107.32 111.52 1orm s GLY 38 Ca -0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 44.72 43.82 1orm s GLY 38 CO -0.09 -0.49 0.09 0.14 0.00 0.00 0.00 173.10 172.75 1orm s VAL 39 N -0.08 5.07 -0.08 1.40 1.01 -1.26 -1.83 120.40 124.62 1orm s VAL 39 Ca -0.03 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1orm s VAL 39 Cb -0.12 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1orm s VAL 39 CO 0.02 0.56 -0.17 -0.51 0.00 0.00 0.00 175.10 175.00 1orm s ILE 40 N -0.50 1.52 -1.08 2.22 1.10 -1.26 -4.38 121.20 118.82 1orm s ILE 40 Ca 0.11 -0.69 -0.18 0.00 -0.51 0.00 0.00 60.65 59.37 1orm s ILE 40 Cb -0.12 -1.35 0.11 0.00 0.15 0.00 0.00 42.46 41.26 1orm s ILE 40 CO 0.02 0.44 1.37 -0.83 -2.11 0.00 0.00 174.94 173.83 1orm s GLY 41 N 0.60 1.87 -0.43 1.50 0.00 -1.26 -4.48 107.32 105.12 1orm s GLY 41 Ca -0.15 -2.84 -0.09 0.00 0.00 0.00 0.00 44.72 41.63 1orm s GLY 41 CO 0.05 2.28 0.27 -0.56 0.00 0.00 0.00 173.10 175.14 1orm s SER 42 N 3.80 5.66 0.24 1.64 0.01 -1.26 -3.65 113.70 120.15 1orm s SER 42 Ca 0.42 -1.55 -0.22 0.00 1.31 0.00 0.00 55.95 55.91 1orm s SER 42 Cb -0.02 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.25 1orm s SER 42 CO -0.04 -0.56 0.69 0.72 0.41 0.00 0.00 173.24 174.45 1orm s PHE 43 N 1.43 -0.30 0.08 2.43 -0.12 -1.26 -4.30 117.98 115.93 1orm s PHE 43 Ca 0.03 -0.08 0.08 0.00 -0.05 0.00 0.00 56.93 56.92 1orm s PHE 43 Cb -0.23 0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1orm s PHE 43 CO 0.02 -1.11 -0.22 0.95 -0.05 0.00 0.00 175.22 174.81 1orm s THR 44 N -3.85 1.82 0.50 -4.49 -4.23 -1.24 -3.61 115.64 100.53 1orm s THR 44 Ca 0.08 -1.43 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 1orm s THR 44 Cb -0.04 -1.61 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1orm s THR 44 CO 0.01 0.10 0.83 -0.31 -0.54 0.00 0.00 174.62 174.71 1orm s TYR 45 N -0.98 3.57 -1.28 3.99 1.51 -1.25 -4.66 117.35 118.25 1orm s TYR 45 Ca 0.08 0.92 -0.17 0.00 -1.01 0.00 0.00 57.07 56.89 1orm s TYR 45 Cb -0.10 -2.39 0.09 0.00 -0.11 0.00 0.00 41.96 39.45 1orm s TYR 45 CO 0.03 -0.34 1.67 0.99 -1.11 0.00 0.00 175.55 176.79 1orm s THR 46 N -2.80 4.30 0.69 -0.71 2.01 -1.26 -3.88 115.64 113.99 1orm s THR 46 Ca 0.49 -2.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.39 1orm s THR 46 Cb -0.10 -5.14 0.06 0.00 0.01 0.00 0.00 72.50 67.33 1orm s THR 46 CO 0.46 -1.95 1.00 -0.70 -0.69 0.00 0.00 174.62 172.74 1orm s GLU 47 N 3.72 2.21 4.30 4.92 2.12 -1.26 -4.73 118.70 129.98 1orm s GLU 47 Ca 0.52 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.54 1orm s GLU 47 Cb 0.03 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.22 1orm s GLU 47 CO 0.06 -1.21 0.00 1.63 -0.54 0.00 0.00 175.26 175.20 1orm n LYS 48 N -2.88 0.00 0.00 4.30 4.76 -1.26 -4.75 118.16 118.33 1orm n LYS 48 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1orm n LYS 48 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1orm n LYS 48 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1orm n SER 49 N 8.36 0.00 -2.24 4.39 3.41 -1.26 -5.07 113.62 121.20 1orm n SER 49 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1orm n SER 49 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1orm n SER 49 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1orm n ARG 50 N -0.01 -5.61 -0.09 4.33 1.74 -1.26 -4.98 116.66 110.78 1orm n ARG 50 Ca 0.00 4.00 -0.23 0.00 -0.77 0.00 0.00 57.85 60.85 1orm n ARG 50 Cb 0.00 -4.62 -0.12 0.00 -1.02 0.00 0.00 32.46 26.71 1orm n ARG 50 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1orm n THR 51 N 1.94 1.59 -3.45 0.55 -1.04 -1.26 -5.03 114.28 107.58 1orm n THR 51 Ca 0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1orm n THR 51 Cb 0.00 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1orm n ALA 52 N -3.48 0.00 -0.03 2.41 0.00 -1.26 -5.06 120.51 113.09 1orm n ALA 52 Ca -0.41 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.09 1orm n ALA 52 Cb 0.90 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.46 0.10 -1.69 0.00 2.88 -1.26 -4.76 113.62 108.43 1orm n SER 53 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1orm n SER 53 Cb 0.00 1.74 0.02 0.00 -0.75 0.00 0.00 64.21 65.22 1orm n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1orm n SER 54 N -2.36 -0.24 -0.10 -3.46 2.88 -1.26 -5.01 113.62 104.06 1orm n SER 54 Ca -0.11 -1.20 -0.16 0.00 -1.33 0.00 0.00 58.87 56.07 1orm n SER 54 Cb 0.70 0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.26 -0.29 3.15 0.46 0.00 -1.26 -4.97 105.19 102.02 1orm n GLY 55 Ca -0.03 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.91 1orm n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1orm s ASP 56 N -6.19 -1.44 0.43 1.61 1.47 -1.26 -5.07 116.67 106.22 1orm s ASP 56 Ca -0.27 0.28 -0.26 0.00 1.18 0.00 0.00 52.55 53.48 1orm s ASP 56 Cb 0.08 1.96 -0.09 0.00 -0.34 0.00 0.00 42.92 44.53 1orm s ASP 56 CO 0.42 -0.26 1.41 -0.47 0.68 0.00 0.00 175.17 176.95 1orm s TYR 57 N 2.85 2.57 -0.22 2.11 5.04 -1.26 -4.44 117.35 124.00 1orm s TYR 57 Ca 0.13 1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 1orm s TYR 57 Cb -0.10 -3.88 0.06 0.00 0.35 0.00 0.00 41.96 38.39 1orm s TYR 57 CO -0.25 -2.74 -0.01 -0.80 -1.34 0.00 0.00 175.55 170.42 1orm s ASN 58 N -0.49 3.47 0.79 4.32 -0.87 -1.26 -3.72 114.94 117.18 1orm s ASN 58 Ca 0.58 -1.06 -0.12 0.00 -1.57 0.00 0.00 52.86 50.69 1orm s ASN 58 Cb -0.43 -0.92 0.07 0.00 -0.02 0.00 0.00 41.25 39.95 1orm s ASN 58 CO 0.56 -0.28 1.12 -0.75 -2.57 0.00 0.00 177.10 175.18 1orm s LYS 59 N 1.60 2.14 -0.15 -0.60 2.20 -1.26 -4.04 119.74 119.62 1orm s LYS 59 Ca -0.03 0.43 -0.12 0.00 -0.36 0.00 0.00 55.97 55.89 1orm s LYS 59 Cb -0.18 -1.94 -0.05 0.00 -1.51 0.00 0.00 37.83 34.15 1orm s LYS 59 CO -0.08 -1.53 0.24 -0.80 -0.36 0.00 0.00 175.35 172.82 1orm s ASN 60 N -4.18 6.40 -0.37 1.43 -0.87 -1.26 -4.90 114.94 111.18 1orm s ASN 60 Ca 0.61 0.47 -0.04 0.00 -1.57 0.00 0.00 52.86 52.33 1orm s ASN 60 Cb -0.13 -2.15 0.20 0.00 -0.02 0.00 0.00 41.25 39.15 1orm s ASN 60 CO 0.52 0.17 0.97 -1.58 -2.57 0.00 0.00 177.10 174.61 1orm s GLN 61 N 0.18 0.40 0.45 -0.60 2.00 -1.26 -5.04 119.66 115.78 1orm s GLN 61 Ca 0.15 -0.29 -0.19 0.00 -2.00 0.00 0.00 55.36 53.02 1orm s GLN 61 Cb -0.13 0.01 -0.10 0.00 0.80 0.00 0.00 33.01 33.59 1orm s GLN 61 CO 0.03 -0.53 0.95 1.52 -0.50 0.00 0.00 175.29 176.76 1orm s TYR 62 N 1.39 3.35 -0.41 1.67 -0.85 -1.26 -4.89 117.35 116.35 1orm s TYR 62 Ca 0.21 1.54 0.06 0.00 -0.52 0.00 0.00 57.07 58.36 1orm s TYR 62 Cb 0.06 -2.81 0.32 0.00 0.38 0.00 0.00 41.96 39.90 1orm s TYR 62 CO -0.11 -0.16 1.22 0.98 -1.52 0.00 0.00 175.55 175.96 1orm n TYR 63 N -0.87 -2.13 -3.51 -3.49 9.36 -1.26 -4.98 117.16 110.26 1orm n TYR 63 Ca 0.07 -1.71 -0.38 0.00 3.32 0.00 0.00 57.90 59.20 1orm n TYR 63 Cb 0.54 1.51 -0.06 0.00 -0.63 0.00 0.00 39.34 40.70 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 -0.96 2.38 0.14 2.98 0.00 -1.26 -4.52 107.32 106.08 1orm s GLY 64 Ca 0.20 -0.30 0.09 0.00 0.00 0.00 0.00 44.72 44.71 1orm s GLY 64 CO -0.09 0.26 -0.21 -1.50 0.00 0.00 0.00 173.10 171.56 1orm s ILE 65 N -0.48 1.89 -0.11 0.90 1.10 -1.26 -4.68 121.20 118.55 1orm s ILE 65 Ca 0.22 -1.77 -0.13 0.00 -0.51 0.00 0.00 60.65 58.46 1orm s ILE 65 Cb -0.15 -1.78 0.03 0.00 0.15 0.00 0.00 42.46 40.71 1orm s ILE 65 CO 0.10 -0.15 0.35 0.28 -2.11 0.00 0.00 174.94 173.41 1orm s THR 66 N -1.55 0.01 -0.68 4.00 -1.32 -1.26 -3.16 115.64 111.67 1orm s THR 66 Ca 0.12 -0.07 -0.26 0.00 -1.21 0.00 0.00 61.69 60.27 1orm s THR 66 Cb -0.08 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.37 1orm s THR 66 CO 0.06 -0.04 1.83 0.00 -2.21 0.00 0.00 174.62 174.26 1orm s ALA 67 N -0.05 2.13 -0.07 11.08 0.00 -1.26 -4.82 121.76 128.77 1orm s ALA 67 Ca -0.02 -0.88 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 1orm s ALA 67 Cb -0.03 -4.35 -0.21 0.00 0.00 0.00 0.00 23.12 18.53 1orm s ALA 67 CO 0.01 -4.02 1.01 0.78 0.00 0.00 0.00 175.76 173.54 1orm h GLY 68 N 16.40 -0.05 -2.59 0.00 0.00 -1.84 -3.45 103.07 111.54 1orm h GLY 68 Ca -0.19 0.02 -0.48 0.00 0.00 0.00 0.00 47.33 46.68 1orm h GLY 68 CO 1.22 -0.02 0.41 2.56 0.00 0.00 0.00 176.54 180.71 1orm s PRO 69 N -3.41 4.06 0.29 4.80 0.04 -0.76 -4.69 135.00 135.33 1orm s PRO 69 Ca -0.16 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.43 1orm s PRO 69 Cb -0.00 -2.42 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1orm s PRO 69 CO 0.62 -0.23 -0.05 0.00 0.04 0.00 0.00 177.00 177.38 1orm s ALA 70 N -1.74 2.42 -0.07 8.56 0.00 -1.26 -5.02 121.76 124.65 1orm s ALA 70 Ca 0.60 -1.94 -0.32 0.00 0.00 0.00 0.00 51.96 50.31 1orm s ALA 70 Cb -0.21 0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.24 1orm s ALA 70 CO 0.26 -0.08 1.38 -0.47 0.00 0.00 0.00 175.76 176.86 1orm s TYR 71 N -2.99 -0.01 0.35 0.00 5.04 -1.26 -4.90 117.35 113.58 1orm s TYR 71 Ca 0.30 -0.03 0.00 0.00 -2.44 0.00 0.00 57.07 54.90 1orm s TYR 71 Cb 0.04 0.52 0.00 0.00 0.35 0.00 0.00 41.96 42.87 1orm s TYR 71 CO 0.13 -0.09 0.00 -2.13 -1.34 0.00 0.00 175.55 172.11 1orm n ARG 72 N -0.62 -2.76 -0.30 4.97 0.63 -1.26 -4.93 116.66 112.40 1orm n ARG 72 Ca -0.06 2.09 0.04 0.00 -0.92 0.00 0.00 57.85 59.01 1orm n ARG 72 Cb 0.62 -2.48 -0.01 0.00 0.45 0.00 0.00 32.46 31.04 1orm n ARG 72 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1orm n ILE 73 N -1.55 0.00 -0.19 5.15 3.06 -1.26 -4.89 119.36 119.68 1orm n ILE 73 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1orm n ILE 73 Cb 0.15 -0.10 -0.00 0.00 0.54 0.00 0.00 39.64 40.22 1orm n ILE 73 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1orm n ASN 74 N -4.01 -1.04 -0.05 9.51 2.85 -1.26 -4.98 115.26 116.28 1orm n ASN 74 Ca 0.00 0.23 -0.06 0.00 -0.11 0.00 0.00 54.58 54.64 1orm n ASN 74 Cb 0.14 0.12 -0.02 0.00 1.24 0.00 0.00 39.78 41.26 1orm n ASN 74 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1orm n ASP 75 N -1.73 1.55 -3.15 1.20 8.00 -1.26 -4.88 116.55 116.28 1orm n ASP 75 Ca -0.00 0.25 -0.21 0.00 0.71 0.00 0.00 54.79 55.54 1orm n ASP 75 Cb 0.06 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.49 1orm n ASP 75 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1orm n TRP 76 N -4.04 -0.52 -1.93 1.24 7.02 -1.26 -5.09 117.44 112.85 1orm n TRP 76 Ca -0.10 -3.45 0.00 0.00 -1.02 0.00 0.00 57.50 52.93 1orm n TRP 76 Cb 0.36 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 1orm n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1orm n ALA 77 N 1.14 0.00 -3.55 6.99 0.00 -1.26 -5.15 120.51 118.68 1orm n ALA 77 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1orm n ALA 77 Cb 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.52 1.91 -0.16 0.00 0.01 -1.26 -4.88 113.70 106.81 1orm s SER 78 Ca 0.00 -0.31 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 1orm s SER 78 Cb 0.00 -0.86 0.04 0.00 0.21 0.00 0.00 66.02 65.41 1orm s SER 78 CO 0.00 0.01 -0.05 -0.63 0.41 0.00 0.00 173.24 172.97 1orm s ILE 79 N 0.85 1.08 -0.30 1.44 1.01 -1.26 -4.55 121.20 119.48 1orm s ILE 79 Ca -0.11 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 1orm s ILE 79 Cb -0.15 -1.24 0.20 0.00 0.01 0.00 0.00 42.46 41.28 1orm s ILE 79 CO 0.01 0.16 1.25 -0.47 0.00 0.00 0.00 174.94 175.89 1orm s TYR 80 N 1.65 -0.11 0.77 3.97 5.04 -1.26 -4.84 117.35 122.56 1orm s TYR 80 Ca 0.01 0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 54.74 1orm s TYR 80 Cb -0.15 0.07 0.06 0.00 0.35 0.00 0.00 41.96 42.29 1orm s TYR 80 CO -0.08 -0.06 1.12 0.20 -1.34 0.00 0.00 175.55 175.40 1orm s GLY 81 N 1.31 1.90 -0.52 8.97 0.00 -1.26 -3.51 107.32 114.20 1orm s GLY 81 Ca -0.06 0.49 -0.20 0.00 0.00 0.00 0.00 44.72 44.95 1orm s GLY 81 CO -0.12 0.86 0.69 -1.34 0.00 0.00 0.00 173.10 173.19 1orm s VAL 82 N -2.58 4.78 -0.17 1.40 -7.23 -1.26 -4.75 120.40 110.60 1orm s VAL 82 Ca 0.66 -0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1orm s VAL 82 Cb -0.21 -4.36 -0.01 0.00 0.56 0.00 0.00 36.38 32.36 1orm s VAL 82 CO 0.51 -0.89 -0.08 0.54 -0.31 0.00 0.00 175.10 174.87 1orm s VAL 83 N 2.87 3.33 0.00 1.32 0.11 -1.26 -4.22 120.40 122.54 1orm s VAL 83 Ca 0.17 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1orm s VAL 83 Cb -0.18 -2.46 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1orm s VAL 83 CO 0.13 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1orm n GLY 84 N 4.06 6.60 2.85 6.54 0.00 -1.19 -4.19 105.19 119.86 1orm n GLY 84 Ca -0.18 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 1orm n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1orm s VAL 85 N 0.20 -0.51 0.22 1.61 0.11 -1.26 -4.55 120.40 116.23 1orm s VAL 85 Ca 0.00 -0.54 -0.30 0.00 -2.93 0.00 0.00 61.98 58.21 1orm s VAL 85 Cb 0.00 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 33.93 1orm s VAL 85 CO 0.00 -0.41 1.33 -0.83 -3.33 0.00 0.00 175.10 171.87 1orm s GLY 86 N 2.11 2.49 0.19 6.54 0.00 -1.26 -4.61 107.32 112.77 1orm s GLY 86 Ca 0.12 1.17 -0.10 0.00 0.00 0.00 0.00 44.72 45.91 1orm s GLY 86 CO -0.21 2.09 0.51 -0.47 0.00 0.00 0.00 173.10 175.02 1orm s TYR 87 N -0.06 3.48 -0.78 1.90 6.14 -1.26 -3.53 117.35 123.23 1orm s TYR 87 Ca 0.56 0.85 -0.35 0.00 0.64 0.00 0.00 57.07 58.78 1orm s TYR 87 Cb -0.38 -2.23 -0.19 0.00 0.42 0.00 0.00 41.96 39.58 1orm s TYR 87 CO 0.41 0.35 2.49 0.41 0.64 0.00 0.00 175.55 179.84 1orm n GLY 88 N 0.17 -0.28 2.76 8.97 0.00 -1.25 -4.77 105.19 110.79 1orm n GLY 88 Ca -0.02 1.10 -0.39 0.00 0.00 0.00 0.00 46.02 46.71 1orm n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1orm n LYS 89 N 8.22 3.75 -3.32 1.61 0.00 -1.26 -4.76 118.16 122.40 1orm n LYS 89 Ca 0.59 -3.80 -0.11 0.00 -0.00 0.00 0.00 58.31 54.99 1orm n LYS 89 Cb 0.06 -2.35 -0.06 0.00 -0.00 0.00 0.00 35.03 32.68 1orm n LYS 89 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1orm s PHE 90 N -3.79 -0.81 0.69 5.58 5.36 -1.26 -5.00 117.98 118.75 1orm s PHE 90 Ca 0.48 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.27 1orm s PHE 90 Cb 0.34 -0.20 0.12 0.00 -0.34 0.00 0.00 43.02 42.94 1orm s PHE 90 CO -0.29 -1.01 0.95 -0.65 -1.46 0.00 0.00 175.22 172.76 1orm s GLN 91 N 1.95 1.80 -0.28 10.12 1.11 -1.24 -4.94 119.66 128.18 1orm s GLN 91 Ca 0.14 -1.28 -0.22 0.00 0.01 0.00 0.00 55.36 54.01 1orm s GLN 91 Cb -0.12 -2.41 0.09 0.00 -1.01 0.00 0.00 33.01 29.55 1orm s GLN 91 CO -0.15 -1.33 0.78 -0.08 0.01 0.00 0.00 175.29 174.52 1orm s THR 92 N -3.03 0.00 -0.29 -0.19 -1.32 -1.24 -4.45 115.64 105.12 1orm s THR 92 Ca 0.66 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 61.00 1orm s THR 92 Cb -0.05 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.05 1orm s THR 92 CO 0.43 0.00 0.73 -0.89 -2.21 0.00 0.00 174.62 172.68 1orm s THR 93 N 0.78 -0.44 0.05 5.08 2.01 -1.26 -4.35 115.64 117.50 1orm s THR 93 Ca -0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1orm s THR 93 Cb -0.05 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.46 1orm s THR 93 CO -0.07 0.00 0.00 1.21 -0.69 0.00 0.00 174.62 175.07 1orm n GLU 94 N 4.77 0.00 -1.92 4.92 0.00 -1.26 -4.79 120.64 122.37 1orm n GLU 94 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.69 1orm n GLU 94 Cb 0.54 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.99 1orm n GLU 94 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 1orm s TYR 95 N -1.53 3.59 -1.17 4.31 -0.85 -1.26 -4.92 117.35 115.52 1orm s TYR 95 Ca 0.00 1.31 -0.11 0.00 -0.52 0.00 0.00 57.07 57.75 1orm s TYR 95 Cb 0.00 -2.74 -0.07 0.00 0.38 0.00 0.00 41.96 39.54 1orm s TYR 95 CO 0.00 -0.68 2.33 -0.35 -1.52 0.00 0.00 175.55 175.33 1orm n PRO 96 N -2.64 2.55 -1.21 -3.49 -0.04 -1.26 -3.19 135.00 125.72 1orm n PRO 96 Ca 0.06 -1.93 -0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1orm n PRO 96 Cb 0.54 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 1orm n PRO 96 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1orm n THR 97 N 4.53 0.00 -1.09 0.52 5.66 -1.26 -5.15 114.28 117.49 1orm n THR 97 Ca 0.56 -0.04 -0.34 0.00 -3.05 0.00 0.00 64.05 61.18 1orm n THR 97 Cb 0.25 0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1orm n THR 97 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1orm n TYR 98 N -0.07 -2.22 -0.03 1.09 4.11 -1.19 -4.94 117.16 113.90 1orm n TYR 98 Ca -0.01 0.45 -0.03 0.00 -0.00 0.00 0.00 57.90 58.30 1orm n TYR 98 Cb 0.44 -1.48 -0.01 0.00 -0.00 0.00 0.00 39.34 38.29 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 1.24 0.21 0.00 -3.48 3.00 -1.26 -4.95 118.16 112.91 1orm n LYS 99 Ca 0.08 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 1orm n LYS 99 Cb 0.38 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1orm n ASN 100 N -3.29 0.00 -4.61 3.14 5.15 -1.26 -4.92 115.26 109.48 1orm n ASN 100 Ca -0.05 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.54 1orm n ASN 100 Cb 0.18 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.47 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 3.40 0.85 -3.70 1.20 2.03 -1.26 -4.92 116.55 114.15 1orm n ASP 101 Ca 0.00 0.87 -0.14 0.00 0.52 0.00 0.00 54.79 56.05 1orm n ASP 101 Cb 0.00 -1.37 -0.09 0.00 -0.72 0.00 0.00 41.12 38.94 1orm n ASP 101 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1orm s THR 102 N -1.46 0.00 -0.67 5.18 2.01 -1.26 -5.06 115.64 114.38 1orm s THR 102 Ca 0.71 -0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.74 1orm s THR 102 Cb -0.46 -0.69 0.18 0.00 0.01 0.00 0.00 72.50 71.54 1orm s THR 102 CO 0.51 -0.01 0.52 -0.24 -0.69 0.00 0.00 174.62 174.70 1orm n SER 103 N 2.67 2.79 -3.50 3.53 2.88 -1.26 -4.92 113.62 115.80 1orm n SER 103 Ca -0.14 -3.17 -0.05 0.00 -1.33 0.00 0.00 58.87 54.19 1orm n SER 103 Cb 0.57 -0.73 -0.06 0.00 -0.75 0.00 0.00 64.21 63.24 1orm n SER 103 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1orm s ASP 104 N -1.49 -0.57 0.09 -3.46 1.01 -1.26 -5.15 116.67 105.85 1orm s ASP 104 Ca 0.28 0.96 0.07 0.00 0.71 0.00 0.00 52.55 54.56 1orm s ASP 104 Cb -0.00 1.68 -0.04 0.00 1.01 0.00 0.00 42.92 45.57 1orm s ASP 104 CO -0.15 -0.25 -0.10 -0.72 0.21 0.00 0.00 175.17 174.17 1orm s TYR 105 N 2.71 2.75 0.22 4.23 -0.85 -1.26 -3.82 117.35 121.33 1orm s TYR 105 Ca 0.04 -0.15 0.02 0.00 -0.52 0.00 0.00 57.07 56.47 1orm s TYR 105 Cb -0.13 -1.45 -0.03 0.00 0.38 0.00 0.00 41.96 40.72 1orm s TYR 105 CO -0.16 0.42 0.37 0.20 -1.52 0.00 0.00 175.55 174.86 1orm s GLY 106 N -2.14 1.50 -0.24 5.49 0.00 -1.23 -5.02 107.32 105.68 1orm s GLY 106 Ca 0.21 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.90 1orm s GLY 106 CO 0.13 -1.03 -0.06 -0.12 0.00 0.00 0.00 173.10 172.02 1orm s PHE 107 N -1.94 2.51 -0.06 1.90 2.19 -1.26 -4.39 117.98 116.93 1orm s PHE 107 Ca 0.36 -1.82 0.05 0.00 0.33 0.00 0.00 56.93 55.85 1orm s PHE 107 Cb -0.10 -1.63 -0.02 0.00 -1.31 0.00 0.00 43.02 39.97 1orm s PHE 107 CO 0.30 -0.79 -0.21 -1.12 1.83 0.00 0.00 175.22 175.23 1orm s SER 108 N 1.36 3.45 -0.27 6.13 0.01 -1.26 -4.23 113.70 118.89 1orm s SER 108 Ca -0.06 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 56.58 1orm s SER 108 Cb -0.19 -0.86 0.08 0.00 0.21 0.00 0.00 66.02 65.26 1orm s SER 108 CO -0.06 0.27 0.77 -0.47 0.41 0.00 0.00 173.24 174.17 1orm s TYR 109 N -0.33 -0.78 0.00 2.43 5.04 -1.25 -4.20 117.35 118.26 1orm s TYR 109 Ca 0.02 1.82 0.00 0.00 -2.44 0.00 0.00 57.07 56.47 1orm s TYR 109 Cb -0.13 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.54 1orm s TYR 109 CO 0.02 -0.38 0.00 0.41 -1.34 0.00 0.00 175.55 174.26 1orm n GLY 110 N 2.95 3.43 3.90 8.97 0.00 -1.26 -2.92 105.19 120.26 1orm n GLY 110 Ca -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.51 -1.61 -0.07 4.61 0.00 -1.26 -4.56 121.76 117.35 1orm s ALA 111 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1orm s ALA 111 Cb 0.00 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1orm s ALA 111 CO 0.00 -1.07 -0.08 0.20 0.00 0.00 0.00 175.76 174.81 1orm s GLY 112 N -3.45 0.68 -0.41 0.00 0.00 -1.23 -4.22 107.32 98.70 1orm s GLY 112 Ca 0.23 -0.32 0.04 0.00 0.00 0.00 0.00 44.72 44.66 1orm s GLY 112 CO 0.05 0.40 0.38 -2.27 0.00 0.00 0.00 173.10 171.66 1orm s LEU 113 N 1.01 0.78 -0.06 0.66 2.96 -1.26 -4.39 118.68 118.37 1orm s LEU 113 Ca -0.09 -2.59 -0.24 0.00 -0.22 0.00 0.00 54.13 51.00 1orm s LEU 113 Cb -0.15 0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.51 1orm s LEU 113 CO -0.00 -0.18 0.72 -1.58 -1.32 0.00 0.00 176.35 173.98 1orm s GLN 114 N 0.48 4.45 0.29 1.98 0.74 -1.26 -4.67 119.66 121.66 1orm s GLN 114 Ca 0.28 0.91 -0.04 0.00 0.05 0.00 0.00 55.36 56.57 1orm s GLN 114 Cb -0.03 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.59 1orm s GLN 114 CO -0.13 0.07 0.54 0.12 -0.55 0.00 0.00 175.29 175.34 1orm s PHE 115 N 0.78 3.48 -0.66 1.67 5.36 -1.26 -5.00 117.98 122.35 1orm s PHE 115 Ca 0.38 0.58 0.05 0.00 -0.96 0.00 0.00 56.93 56.98 1orm s PHE 115 Cb -0.18 -2.06 0.16 0.00 -0.34 0.00 0.00 43.02 40.61 1orm s PHE 115 CO 0.19 0.18 0.44 1.21 -1.46 0.00 0.00 175.22 175.78 1orm s ASN 116 N -3.29 4.70 0.04 6.13 3.84 -1.26 -4.62 114.94 120.48 1orm s ASN 116 Ca 0.43 -3.67 -0.17 0.00 0.21 0.00 0.00 52.86 49.65 1orm s ASN 116 Cb -0.11 -1.63 -0.21 0.00 -0.55 0.00 0.00 41.25 38.75 1orm s ASN 116 CO 0.31 -0.12 1.18 1.55 -2.79 0.00 0.00 177.10 177.23 1orm h PRO 117 N 5.63 0.55 -3.57 0.43 0.13 -1.97 -3.48 132.00 129.72 1orm h PRO 117 Ca 0.10 -0.54 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 1orm h PRO 117 Cb 0.78 0.14 0.07 0.00 0.13 0.00 0.00 31.00 32.13 1orm h PRO 117 CO 0.71 1.16 -0.36 -0.12 -0.23 0.00 0.00 178.00 179.16 1orm n MET 118 N -4.11 -4.14 0.00 0.86 1.56 -1.26 -4.97 117.12 105.05 1orm n MET 118 Ca -0.10 0.44 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 1orm n MET 118 Cb 0.71 -4.28 0.00 0.00 2.15 0.00 0.00 33.22 31.81 1orm n MET 118 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1orm n GLU 119 N -2.85 0.00 -2.17 2.12 -0.58 -1.26 -5.03 120.64 110.86 1orm n GLU 119 Ca -0.01 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.71 1orm n GLU 119 Cb 0.54 -0.12 -0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1orm n GLU 119 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1orm n ASN 120 N -1.82 -0.67 -3.64 1.62 0.23 -1.26 -5.15 115.26 104.57 1orm n ASN 120 Ca 0.00 -1.40 -0.04 0.00 -0.53 0.00 0.00 54.58 52.61 1orm n ASN 120 Cb 0.00 0.56 -0.06 0.00 -2.08 0.00 0.00 39.78 38.20 1orm n ASN 120 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1orm s VAL 121 N 0.02 0.00 -0.19 3.53 0.11 -1.26 -5.15 120.40 117.46 1orm s VAL 121 Ca 0.02 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1orm s VAL 121 Cb 0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1orm s VAL 121 CO -0.01 0.00 -0.11 0.00 -3.33 0.00 0.00 175.10 171.64 1orm s ALA 122 N -0.29 2.60 0.54 1.54 0.00 -1.26 -4.72 121.76 120.16 1orm s ALA 122 Ca 0.07 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 1orm s ALA 122 Cb -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1orm s ALA 122 CO -0.12 -0.31 0.83 -0.51 0.00 0.00 0.00 175.76 175.66 1orm s LEU 123 N 1.26 3.37 -0.30 0.00 1.43 -1.26 -2.60 118.68 120.57 1orm s LEU 123 Ca 0.03 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.57 1orm s LEU 123 Cb -0.14 -3.46 0.17 0.00 0.03 0.00 0.00 46.19 42.79 1orm s LEU 123 CO -0.05 -0.93 1.23 -0.62 0.23 0.00 0.00 176.35 176.20 1orm s ASP 124 N -4.27 -0.04 0.32 2.29 3.68 -1.25 -4.52 116.67 112.89 1orm s ASP 124 Ca 0.52 0.01 -0.03 0.00 2.13 0.00 0.00 52.55 55.18 1orm s ASP 124 Cb -0.10 1.03 -0.00 0.00 -1.45 0.00 0.00 42.92 42.39 1orm s ASP 124 CO 0.43 -0.01 0.44 0.72 0.13 0.00 0.00 175.17 176.89 1orm s PHE 125 N 3.00 1.02 -0.13 -5.34 -0.12 -1.26 -3.12 117.98 112.02 1orm s PHE 125 Ca 0.06 -1.25 -0.34 0.00 -0.05 0.00 0.00 56.93 55.35 1orm s PHE 125 Cb -0.05 -0.12 0.14 0.00 -0.63 0.00 0.00 43.02 42.37 1orm s PHE 125 CO -0.12 -1.07 1.35 -1.54 -0.05 0.00 0.00 175.22 173.78 1orm s SER 126 N -3.21 -0.04 -0.27 1.98 1.04 -1.26 -4.35 113.70 107.59 1orm s SER 126 Ca 0.31 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.67 1orm s SER 126 Cb 0.00 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1orm s SER 126 CO 0.19 -0.14 -0.03 -0.47 0.98 0.00 0.00 173.24 173.77 1orm s TYR 127 N -2.21 3.13 0.17 5.02 5.04 -1.26 -4.66 117.35 122.58 1orm s TYR 127 Ca 0.13 -1.61 -0.01 0.00 -2.44 0.00 0.00 57.07 53.14 1orm s TYR 127 Cb 0.04 -2.09 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 1orm s TYR 127 CO -0.05 -0.74 0.36 -1.83 -1.34 0.00 0.00 175.55 171.96 1orm s GLU 128 N 1.31 3.52 -0.01 4.97 -1.05 -1.26 -4.38 118.70 121.80 1orm s GLU 128 Ca -0.01 -0.32 0.05 0.00 -0.15 0.00 0.00 54.97 54.53 1orm s GLU 128 Cb -0.18 -2.87 -0.01 0.00 -0.44 0.00 0.00 34.13 30.63 1orm s GLU 128 CO -0.03 0.44 -0.15 -1.14 0.95 0.00 0.00 175.26 175.33 1orm s GLN 129 N -3.12 1.26 0.13 -4.83 0.74 -1.15 -4.66 119.66 108.03 1orm s GLN 129 Ca 0.38 -0.55 0.03 0.00 0.05 0.00 0.00 55.36 55.27 1orm s GLN 129 Cb -0.11 -1.22 -0.04 0.00 1.10 0.00 0.00 33.01 32.74 1orm s GLN 129 CO 0.28 0.33 -0.08 0.45 -0.55 0.00 0.00 175.29 175.72 1orm s SER 130 N -0.34 1.47 -0.44 6.67 0.15 -1.26 -3.93 113.70 116.02 1orm s SER 130 Ca 0.05 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.75 1orm s SER 130 Cb -0.06 0.04 0.21 0.00 -1.71 0.00 0.00 66.02 64.50 1orm s SER 130 CO -0.00 -0.41 0.59 0.54 1.20 0.00 0.00 173.24 175.15 1orm n ARG 131 N -0.13 0.54 -3.16 5.44 1.74 -1.26 -4.64 116.66 115.19 1orm n ARG 131 Ca -0.11 -2.67 -0.40 0.00 -0.77 0.00 0.00 57.85 53.91 1orm n ARG 131 Cb 0.61 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.59 1orm n ARG 131 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1orm n ILE 132 N 2.17 4.54 -2.88 0.55 2.08 -1.26 -4.70 119.36 119.86 1orm n ILE 132 Ca 0.21 -5.70 -0.12 0.00 0.56 0.00 0.00 62.75 57.70 1orm n ILE 132 Cb 0.54 -2.15 0.06 0.00 -0.75 0.00 0.00 39.64 37.34 1orm n ILE 132 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1orm n ARG 133 N 1.41 -2.44 -2.41 0.38 3.00 -1.26 -4.25 116.66 111.10 1orm n ARG 133 Ca 0.26 0.65 -0.02 0.00 -0.01 0.00 0.00 57.85 58.73 1orm n ARG 133 Cb 0.35 -4.83 0.00 0.00 0.00 0.00 0.00 32.46 27.99 1orm n ARG 133 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1orm n SER 134 N -2.76 -5.64 -3.84 0.55 7.64 -1.26 -5.07 113.62 103.24 1orm n SER 134 Ca -0.09 0.12 -0.13 0.00 1.01 0.00 0.00 58.87 59.78 1orm n SER 134 Cb 0.60 -3.70 -0.14 0.00 -1.01 0.00 0.00 64.21 59.96 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 -2.57 -0.01 0.07 0.44 1.01 -1.26 -4.85 120.40 113.23 1orm s VAL 135 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.15 1orm s VAL 135 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.27 1orm s VAL 135 CO 0.47 0.02 -0.04 -0.62 0.00 0.00 0.00 175.10 174.93 1orm s ASP 136 N 0.28 4.81 -0.47 3.32 -1.08 -1.26 -4.24 116.67 118.02 1orm s ASP 136 Ca -0.02 -0.21 0.08 0.00 -0.52 0.00 0.00 52.55 51.88 1orm s ASP 136 Cb -0.03 -1.10 0.26 0.00 -1.46 0.00 0.00 42.92 40.59 1orm s ASP 136 CO -0.01 0.20 0.62 1.33 0.52 0.00 0.00 175.17 177.83 1orm n VAL 137 N 0.84 0.37 -2.07 1.11 0.24 -1.26 -4.23 118.33 113.34 1orm n VAL 137 Ca -0.13 -4.47 -0.28 0.00 -2.04 0.00 0.00 64.34 57.43 1orm n VAL 137 Cb 0.52 -1.84 -0.05 0.00 -1.47 0.00 0.00 33.84 31.00 1orm n VAL 137 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1orm s GLY 138 N -1.75 0.20 -0.03 7.63 0.00 -1.26 -4.61 107.32 107.50 1orm s GLY 138 Ca 0.37 -1.83 -0.15 0.00 0.00 0.00 0.00 44.72 43.11 1orm s GLY 138 CO -0.08 3.50 0.42 -1.59 0.00 0.00 0.00 173.10 175.35 1orm s THR 139 N 10.41 5.06 -0.32 0.90 2.01 -1.26 -4.48 115.64 127.96 1orm s THR 139 Ca 0.69 0.86 0.03 0.00 0.31 0.00 0.00 61.69 63.57 1orm s THR 139 Cb -0.04 -3.73 0.19 0.00 0.01 0.00 0.00 72.50 68.93 1orm s THR 139 CO 0.06 0.53 0.71 0.26 -0.69 0.00 0.00 174.62 175.48 1orm s TRP 140 N -0.71 -1.50 0.33 4.92 0.51 -1.26 -4.70 118.94 116.52 1orm s TRP 140 Ca 0.24 0.67 0.00 0.00 -2.12 0.00 0.00 56.10 54.89 1orm s TRP 140 Cb -0.16 0.26 0.00 0.00 -0.81 0.00 0.00 33.47 32.76 1orm s TRP 140 CO 0.13 -0.92 0.42 1.51 -0.51 0.00 0.00 176.95 177.57 1orm n ILE 141 N 4.99 0.00 -3.68 2.03 0.13 -1.26 -4.86 119.36 116.70 1orm n ILE 141 Ca 0.07 -1.81 -0.14 0.00 -1.10 0.00 0.00 62.75 59.77 1orm n ILE 141 Cb 0.56 1.06 -0.14 0.00 -0.84 0.00 0.00 39.64 40.28 1orm n ILE 141 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1orm s ALA 142 N -2.83 -0.40 0.36 1.51 0.00 -1.26 -4.55 121.76 114.58 1orm s ALA 142 Ca 0.30 0.80 0.08 0.00 0.00 0.00 0.00 51.96 53.13 1orm s ALA 142 Cb -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1orm s ALA 142 CO 0.21 -0.51 0.22 0.20 0.00 0.00 0.00 175.76 175.88 1orm s GLY 143 N 2.10 1.96 -0.23 0.00 0.00 -1.18 -4.44 107.32 105.53 1orm s GLY 143 Ca -0.01 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.69 1orm s GLY 143 CO -0.07 -1.71 0.68 0.14 0.00 0.00 0.00 173.10 172.13 1orm s VAL 144 N -2.41 4.97 -0.84 1.40 1.01 -1.25 -3.85 120.40 119.43 1orm s VAL 144 Ca 0.40 1.26 -0.00 0.00 0.00 0.00 0.00 61.98 63.64 1orm s VAL 144 Cb -0.03 -3.98 0.35 0.00 0.00 0.00 0.00 36.38 32.72 1orm s VAL 144 CO 0.24 0.04 1.76 0.61 0.00 0.00 0.00 175.10 177.76 1orm n GLY 145 N 3.92 5.79 3.51 4.51 0.00 -1.07 -4.75 105.19 117.10 1orm n GLY 145 Ca 0.00 -2.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.02 1orm n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1orm s TYR 146 N -4.05 3.13 -0.05 1.61 1.51 -1.26 -4.80 117.35 113.45 1orm s TYR 146 Ca 0.47 -0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1orm s TYR 146 Cb 0.34 -3.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.13 1orm s TYR 146 CO -0.27 -0.73 -0.09 -0.98 -1.11 0.00 0.00 175.55 172.37 1orm s ARG 147 N 2.46 1.24 0.00 -0.62 1.70 -1.24 -3.51 118.95 118.99 1orm s ARG 147 Ca 0.18 -0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1orm s ARG 147 Cb -0.16 -1.10 0.00 0.00 -0.57 0.00 0.00 34.95 33.12 1orm s ARG 147 CO 0.16 0.01 0.00 0.34 -1.08 0.00 0.00 175.30 174.73