#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 -2.87 0.00 -1.04 -1.26 -2.10 114.28 107.01 1orm n THR 2 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1orm n THR 2 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1orm n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1orm n SER 3 N 6.81 2.04 -4.24 8.00 7.64 -1.26 -4.17 113.62 128.42 1orm n SER 3 Ca 0.00 -3.08 -0.14 0.00 1.01 0.00 0.00 58.87 56.66 1orm n SER 3 Cb 0.00 -0.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.54 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 -3.35 1.15 -0.03 0.44 -1.32 -0.89 -4.53 115.64 107.10 1orm s THR 4 Ca 0.38 -2.03 0.03 0.00 -1.21 0.00 0.00 61.69 58.85 1orm s THR 4 Cb 0.39 -1.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.53 1orm s THR 4 CO -0.06 -0.74 -0.09 0.54 -2.21 0.00 0.00 174.62 172.07 1orm s VAL 5 N -3.28 3.53 -0.37 5.08 0.11 -1.26 -3.93 120.40 120.29 1orm s VAL 5 Ca 0.16 -0.67 0.01 0.00 -2.93 0.00 0.00 61.98 58.55 1orm s VAL 5 Cb 0.02 -2.47 0.10 0.00 -1.53 0.00 0.00 36.38 32.51 1orm s VAL 5 CO 0.00 0.51 0.11 -0.89 -3.33 0.00 0.00 175.10 171.50 1orm s THR 6 N -0.87 2.68 -0.09 5.04 2.01 -1.26 -2.96 115.64 120.19 1orm s THR 6 Ca 0.14 -2.23 0.03 0.00 0.31 0.00 0.00 61.69 59.95 1orm s THR 6 Cb -0.11 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1orm s THR 6 CO 0.04 -0.63 -0.19 -0.83 -0.69 0.00 0.00 174.62 172.32 1orm s GLY 7 N 1.27 1.43 0.27 4.40 0.00 -1.26 -4.70 107.32 108.72 1orm s GLY 7 Ca 0.10 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 43.73 1orm s GLY 7 CO -0.06 -0.46 0.51 -0.32 0.00 0.00 0.00 173.10 172.76 1orm s GLY 8 N -0.02 0.62 -0.08 0.20 0.00 -1.26 -2.45 107.32 104.33 1orm s GLY 8 Ca -0.06 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.75 1orm s GLY 8 CO 0.05 -0.63 -0.10 -0.19 0.00 0.00 0.00 173.10 172.22 1orm s TYR 9 N -3.79 1.39 -0.08 1.90 2.02 -1.26 -4.77 117.35 112.76 1orm s TYR 9 Ca 0.23 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.41 1orm s TYR 9 Cb -0.01 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 1orm s TYR 9 CO 0.10 -0.34 -0.24 0.00 -1.57 0.00 0.00 175.55 173.51 1orm s ALA 10 N 0.98 2.18 0.00 3.71 0.00 -1.19 -4.51 121.76 122.93 1orm s ALA 10 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1orm s ALA 10 Cb -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1orm s ALA 10 CO -0.00 0.36 0.00 0.00 0.00 0.00 0.00 175.76 176.12 1orm n GLN 11 N 3.20 0.00 0.00 0.00 10.64 -1.26 -2.60 117.38 127.36 1orm n GLN 11 Ca -0.18 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 1orm n GLN 11 Cb 0.52 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.90 1orm n GLN 11 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1orm n SER 12 N -0.28 0.00 -4.53 2.61 2.88 -1.22 -4.76 113.62 108.31 1orm n SER 12 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1orm n SER 12 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 1orm n SER 12 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1orm s ASP 13 N 0.00 6.19 -0.50 -3.46 -0.00 -1.26 -4.65 116.67 113.00 1orm s ASP 13 Ca 0.00 -0.31 0.06 0.00 -0.00 0.00 0.00 52.55 52.31 1orm s ASP 13 Cb 0.00 -2.21 0.19 0.00 -0.00 0.00 0.00 42.92 40.90 1orm s ASP 13 CO 0.00 -0.40 0.67 0.00 -0.00 0.00 0.00 175.17 175.44 1orm n ALA 14 N 5.45 -0.94 0.00 5.23 0.00 -1.26 -2.61 120.51 126.38 1orm n ALA 14 Ca -0.08 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1orm n ALA 14 Cb 0.49 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 2.78 0.00 0.10 0.00 7.27 -1.26 -3.45 117.38 122.82 1orm n GLN 15 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1orm n GLN 15 Cb 0.55 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.20 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 0.00 -0.28 0.00 1.69 0.00 -1.26 -4.95 105.19 100.39 1orm n GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.20 0.00 -3.40 1.61 7.27 -1.22 -4.94 117.38 113.49 1orm n GLN 17 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.81 1orm n GLN 17 Cb 0.00 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.56 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 0.00 1.33 -3.06 3.69 1.56 -1.25 -4.98 117.12 114.40 1orm n MET 18 Ca 0.00 -3.84 0.04 0.00 -0.27 0.00 0.00 57.70 53.63 1orm n MET 18 Cb 0.00 -1.77 0.00 0.00 2.15 0.00 0.00 33.22 33.60 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 -1.39 -0.60 -0.75 6.12 2.47 -1.26 -4.94 114.94 114.60 1orm s ASN 19 Ca 0.35 -0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.60 1orm s ASN 19 Cb 0.11 1.19 0.35 0.00 -1.45 0.00 0.00 41.25 41.46 1orm s ASN 19 CO -0.11 -0.10 1.55 0.29 -3.72 0.00 0.00 177.10 175.02 1orm n LYS 20 N 4.77 3.76 0.00 0.43 5.02 -1.26 -3.43 118.16 127.44 1orm n LYS 20 Ca 0.08 -4.34 0.00 0.00 -2.02 0.00 0.00 58.31 52.04 1orm n LYS 20 Cb 0.59 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1orm n LYS 20 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1orm n MET 21 N -0.33 0.00 0.00 1.97 2.81 -1.26 -4.79 117.12 115.51 1orm n MET 21 Ca 0.44 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1orm n MET 21 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.88 1orm n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1orm n GLY 22 N 0.00 2.29 0.00 3.03 0.00 -1.07 -3.17 105.19 106.27 1orm n GLY 22 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1orm n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1orm n GLY 23 N 0.00 -1.32 2.96 -0.02 0.00 -1.21 -0.74 105.19 104.87 1orm n GLY 23 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1orm n GLY 23 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1orm s PHE 24 N -2.95 -0.18 -0.15 1.61 5.36 -1.26 -4.83 117.98 115.58 1orm s PHE 24 Ca 0.00 0.49 -0.00 0.00 -0.96 0.00 0.00 56.93 56.45 1orm s PHE 24 Cb 0.00 -0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.64 1orm s PHE 24 CO 0.00 -0.15 -0.13 -0.80 -1.46 0.00 0.00 175.22 172.68 1orm s ASN 25 N 0.88 3.88 -0.28 6.13 -0.87 -1.26 -4.24 114.94 119.18 1orm s ASN 25 Ca -0.07 -0.39 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 1orm s ASN 25 Cb -0.09 -1.60 0.15 0.00 -0.02 0.00 0.00 41.25 39.70 1orm s ASN 25 CO -0.05 0.12 0.39 -0.22 -2.57 0.00 0.00 177.10 174.77 1orm s LEU 26 N 0.64 -0.71 0.00 0.60 2.96 -1.26 -4.59 118.68 116.31 1orm s LEU 26 Ca -0.07 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1orm s LEU 26 Cb -0.16 1.06 0.00 0.00 0.50 0.00 0.00 46.19 47.60 1orm s LEU 26 CO 0.03 -0.34 0.00 0.29 -1.32 0.00 0.00 176.35 175.00 1orm n LYS 27 N 5.35 0.00 -4.56 1.98 4.76 -1.26 -4.86 118.16 119.57 1orm n LYS 27 Ca -0.01 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.17 1orm n LYS 27 Cb 0.49 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.59 1orm n LYS 27 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1orm s TYR 28 N -6.18 1.90 -0.11 2.13 1.51 -1.26 -4.75 117.35 110.59 1orm s TYR 28 Ca 0.00 -1.09 0.02 0.00 -1.01 0.00 0.00 57.07 54.99 1orm s TYR 28 Cb 0.00 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1orm s TYR 28 CO 0.00 -0.05 -0.17 1.03 -1.11 0.00 0.00 175.55 175.25 1orm s ARG 29 N -3.79 2.42 -1.07 -0.62 3.00 -1.26 -4.53 118.95 113.11 1orm s ARG 29 Ca 0.24 -0.64 -0.02 0.00 0.00 0.00 0.00 55.73 55.31 1orm s ARG 29 Cb 0.04 -2.00 0.30 0.00 0.00 0.00 0.00 34.95 33.29 1orm s ARG 29 CO 0.12 -0.02 1.82 0.98 0.00 0.00 0.00 175.30 178.21 1orm n TYR 30 N 4.07 2.67 -3.08 -0.53 9.36 -1.26 -4.38 117.16 124.02 1orm n TYR 30 Ca -0.20 -2.59 -0.24 0.00 3.32 0.00 0.00 57.90 58.20 1orm n TYR 30 Cb 0.51 -1.27 -0.04 0.00 -0.63 0.00 0.00 39.34 37.91 1orm n TYR 30 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1orm n GLU 31 N 0.36 2.34 -2.67 2.98 4.07 -1.26 -4.81 120.64 121.64 1orm n GLU 31 Ca 0.45 -4.30 -0.04 0.00 -0.06 0.00 0.00 57.16 53.21 1orm n GLU 31 Cb 0.27 -2.02 0.07 0.00 -0.06 0.00 0.00 31.44 29.70 1orm n GLU 31 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1orm n GLU 32 N 0.11 0.36 0.00 5.31 0.00 -1.26 -4.31 120.64 120.85 1orm n GLU 32 Ca 0.28 -0.96 0.00 0.00 0.00 0.00 0.00 57.16 56.48 1orm n GLU 32 Cb 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 31.44 31.70 1orm n GLU 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1orm n ASP 33 N 0.08 0.00 -2.78 4.31 2.03 -1.26 -5.05 116.55 113.88 1orm n ASP 33 Ca -0.10 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.20 1orm n ASP 33 Cb 0.73 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 1orm n ASP 33 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1orm n ASN 34 N 0.00 -7.88 0.00 1.67 2.85 -1.26 -5.06 115.26 105.58 1orm n ASN 34 Ca 0.00 1.31 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 1orm n ASN 34 Cb 0.00 -4.91 0.00 0.00 1.24 0.00 0.00 39.78 36.11 1orm n ASN 34 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1orm n SER 35 N 0.77 0.00 -0.02 1.20 3.41 -1.26 -5.07 113.62 112.65 1orm n SER 35 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1orm n SER 35 Cb 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 1orm n SER 35 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1orm h PRO 36 N 0.00 -0.05 -6.92 4.33 0.13 -1.93 -3.45 132.00 124.12 1orm h PRO 36 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1orm h PRO 36 Cb 0.00 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 1orm h PRO 36 CO 0.00 0.60 0.19 -0.48 -0.23 0.00 0.00 178.00 178.08 1orm s LEU 37 N -8.75 3.84 0.31 1.56 -0.00 -1.26 -4.18 118.68 110.21 1orm s LEU 37 Ca -0.16 1.31 0.10 0.00 -0.00 0.00 0.00 54.13 55.39 1orm s LEU 37 Cb -0.01 -4.19 -0.06 0.00 -0.00 0.00 0.00 46.19 41.94 1orm s LEU 37 CO 0.60 -0.40 -0.12 -0.83 -0.00 0.00 0.00 176.35 175.60 1orm s GLY 38 N -2.85 2.04 -0.43 -3.48 0.00 -1.25 -4.96 107.32 96.38 1orm s GLY 38 Ca 0.55 -2.00 0.08 0.00 0.00 0.00 0.00 44.72 43.35 1orm s GLY 38 CO 0.27 -1.99 0.85 1.55 0.00 0.00 0.00 173.10 173.78 1orm n VAL 39 N -0.71 -0.18 -4.17 1.40 3.14 -1.26 -4.41 118.33 112.14 1orm n VAL 39 Ca -0.05 -2.77 -0.10 0.00 -2.96 0.00 0.00 64.34 58.46 1orm n VAL 39 Cb 0.62 0.38 -0.03 0.00 -1.06 0.00 0.00 33.84 33.75 1orm n VAL 39 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 1orm n ILE 40 N 0.85 0.00 0.00 1.55 -0.00 -1.26 -5.03 119.36 115.47 1orm n ILE 40 Ca 0.14 -1.02 0.00 0.00 -0.00 0.00 0.00 62.75 61.87 1orm n ILE 40 Cb 0.64 0.44 0.00 0.00 -0.00 0.00 0.00 39.64 40.72 1orm n ILE 40 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1orm n GLY 41 N 0.35 -0.36 0.00 3.28 0.00 -1.26 -4.47 105.19 102.73 1orm n GLY 41 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1orm n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1orm n SER 42 N 0.00 0.00 -2.45 1.61 3.41 -1.26 -4.36 113.62 110.58 1orm n SER 42 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1orm n SER 42 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1orm n SER 42 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1orm n PHE 43 N -0.09 1.94 0.00 7.33 -1.74 -1.26 -4.56 117.46 119.08 1orm n PHE 43 Ca 0.00 -2.17 0.00 0.00 -0.56 0.00 0.00 57.45 54.72 1orm n PHE 43 Cb 0.00 -0.28 0.00 0.00 1.52 0.00 0.00 39.48 40.72 1orm n PHE 43 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 1orm n THR 44 N -0.65 0.00 -2.54 1.97 5.66 -1.00 -4.78 114.28 112.93 1orm n THR 44 Ca 0.24 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.23 1orm n THR 44 Cb 0.88 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.66 1orm n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1orm n TYR 45 N -0.11 -0.18 -4.49 1.09 9.36 -0.00 -4.19 117.16 118.64 1orm n TYR 45 Ca 0.00 -0.25 -0.24 0.00 3.32 0.00 0.00 57.90 60.73 1orm n TYR 45 Cb 0.00 0.74 -0.10 0.00 -0.63 0.00 0.00 39.34 39.35 1orm n TYR 45 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1orm s THR 46 N 0.01 2.43 0.00 2.97 2.01 -0.80 -4.08 115.64 118.18 1orm s THR 46 Ca 0.01 -2.37 0.00 0.00 0.31 0.00 0.00 61.69 59.64 1orm s THR 46 Cb 0.04 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 70.17 1orm s THR 46 CO -0.01 -0.36 0.00 -1.84 -0.69 0.00 0.00 174.62 171.72 1orm n GLU 47 N -0.66 1.98 0.02 4.92 0.28 0.08 -3.29 120.64 123.97 1orm n GLU 47 Ca -0.05 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.93 1orm n GLU 47 Cb 0.61 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.47 1orm n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1orm h LYS 48 N 0.00 -0.10 0.00 3.44 3.64 -1.91 -3.47 116.57 118.17 1orm h LYS 48 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1orm h LYS 48 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1orm h LYS 48 CO 0.00 -0.07 0.00 0.45 -2.27 0.00 0.00 179.45 177.56 1orm n SER 49 N -3.60 -0.02 -3.71 4.20 2.88 -1.26 -4.90 113.62 107.21 1orm n SER 49 Ca -0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 1orm n SER 49 Cb 0.04 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.41 1orm n SER 49 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1orm s ARG 50 N 0.00 0.53 -0.46 -1.46 0.52 -1.26 -5.08 118.95 111.74 1orm s ARG 50 Ca 0.00 0.67 0.06 0.00 -0.52 0.00 0.00 55.73 55.94 1orm s ARG 50 Cb 0.00 0.24 0.31 0.00 0.52 0.00 0.00 34.95 36.02 1orm s ARG 50 CO 0.00 -0.07 1.07 -2.37 0.02 0.00 0.00 175.30 173.94 1orm n THR 51 N 2.96 -0.01 -2.80 0.02 5.66 -1.26 -2.93 114.28 115.91 1orm n THR 51 Ca -0.14 -1.65 -0.01 0.00 -3.05 0.00 0.00 64.05 59.20 1orm n THR 51 Cb 0.57 1.40 0.01 0.00 -1.55 0.00 0.00 70.33 70.76 1orm n THR 51 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1orm s ALA 52 N 0.21 -3.60 -0.02 1.79 0.00 -1.26 -4.98 121.76 113.90 1orm s ALA 52 Ca 0.24 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1orm s ALA 52 Cb 0.28 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1orm s ALA 52 CO -0.08 -2.41 0.03 0.45 0.00 0.00 0.00 175.76 173.76 1orm n SER 53 N 3.23 -3.12 -2.86 0.00 2.88 -1.26 -4.67 113.62 107.82 1orm n SER 53 Ca 0.11 0.50 -0.18 0.00 -1.33 0.00 0.00 58.87 57.97 1orm n SER 53 Cb 0.61 -2.29 0.06 0.00 -0.75 0.00 0.00 64.21 61.84 1orm n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1orm n SER 54 N 0.54 -5.37 0.03 -3.46 7.64 -1.26 -4.93 113.62 106.80 1orm n SER 54 Ca -0.06 -0.41 -0.19 0.00 1.01 0.00 0.00 58.87 59.23 1orm n SER 54 Cb 0.09 -3.98 -0.14 0.00 -1.01 0.00 0.00 64.21 59.16 1orm n SER 54 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1orm h GLY 55 N -2.05 0.29 -6.78 0.23 0.00 -1.82 -3.48 103.07 89.45 1orm h GLY 55 Ca -0.44 -0.74 -0.51 0.00 0.00 0.00 0.00 47.33 45.65 1orm h GLY 55 CO 0.43 0.65 -1.08 1.34 0.00 0.00 0.00 176.54 177.87 1orm n ASP 56 N -4.19 -4.74 0.00 0.19 4.64 -0.82 -4.61 116.55 107.02 1orm n ASP 56 Ca -0.14 -1.02 0.00 0.00 -1.38 0.00 0.00 54.79 52.25 1orm n ASP 56 Cb 0.78 -1.67 0.00 0.00 -1.04 0.00 0.00 41.12 39.19 1orm n ASP 56 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1orm n TYR 57 N -3.00 0.00 0.00 -0.67 4.01 -1.26 -4.75 117.16 111.49 1orm n TYR 57 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1orm n TYR 57 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.71 1orm n TYR 57 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1orm n ASN 58 N 0.00 0.00 -3.49 7.72 5.15 -1.15 0.16 115.26 123.65 1orm n ASN 58 Ca 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.60 1orm n ASN 58 Cb 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.29 1orm n ASN 58 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1orm n LYS 59 N 0.00 -1.86 -0.03 1.20 4.76 -1.24 -4.81 118.16 116.17 1orm n LYS 59 Ca 0.00 1.40 -0.11 0.00 -2.87 0.00 0.00 58.31 56.73 1orm n LYS 59 Cb 0.00 -2.00 -0.05 0.00 -1.84 0.00 0.00 35.03 31.14 1orm n LYS 59 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 1orm h ASN 60 N 2.17 -1.30 0.00 4.39 -0.73 -1.87 -3.46 115.58 114.78 1orm h ASN 60 Ca -0.54 0.18 0.00 0.00 1.87 0.00 0.00 56.30 57.81 1orm h ASN 60 Cb 1.39 0.54 0.00 0.00 0.27 0.00 0.00 38.32 40.52 1orm h ASN 60 CO 0.22 -0.40 0.00 0.00 -0.37 0.00 0.00 177.43 176.88 1orm n GLN 61 N -5.43 0.00 -3.34 6.67 6.02 -1.26 -5.02 117.38 115.02 1orm n GLN 61 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.58 1orm n GLN 61 Cb 0.35 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.55 1orm n GLN 61 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1orm s TYR 62 N -1.12 3.48 -0.92 1.08 6.14 -1.26 -4.87 117.35 119.88 1orm s TYR 62 Ca 0.00 0.83 -0.10 0.00 0.64 0.00 0.00 57.07 58.44 1orm s TYR 62 Cb 0.00 -2.54 0.24 0.00 0.42 0.00 0.00 41.96 40.08 1orm s TYR 62 CO 0.00 0.14 0.86 0.71 0.64 0.00 0.00 175.55 177.90 1orm s TYR 63 N 0.75 3.93 -0.27 4.97 1.51 -1.26 -0.82 117.35 126.17 1orm s TYR 63 Ca 0.24 -2.44 -0.17 0.00 -1.01 0.00 0.00 57.07 53.69 1orm s TYR 63 Cb -0.15 -3.70 -0.03 0.00 -0.11 0.00 0.00 41.96 37.97 1orm s TYR 63 CO 0.09 -0.93 0.50 0.20 -1.11 0.00 0.00 175.55 174.30 1orm s GLY 64 N 1.45 1.85 -0.97 0.71 0.00 -1.26 -4.22 107.32 104.87 1orm s GLY 64 Ca 0.24 -0.65 -0.19 0.00 0.00 0.00 0.00 44.72 44.12 1orm s GLY 64 CO -0.08 1.20 1.20 -0.42 0.00 0.00 0.00 173.10 175.00 1orm s ILE 65 N 2.28 4.64 -1.16 0.90 1.09 -1.25 -4.12 121.20 123.58 1orm s ILE 65 Ca 0.20 -1.56 -0.09 0.00 -1.10 0.00 0.00 60.65 58.11 1orm s ILE 65 Cb -0.16 -4.83 0.24 0.00 -1.06 0.00 0.00 42.46 36.65 1orm s ILE 65 CO 0.09 -1.58 1.44 0.41 -0.10 0.00 0.00 174.94 175.21 1orm n THR 66 N 5.62 4.66 0.00 2.92 -1.04 -1.26 -3.54 114.28 121.64 1orm n THR 66 Ca 0.26 -5.19 0.00 0.00 -2.04 0.00 0.00 64.05 57.09 1orm n THR 66 Cb 0.49 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.62 1orm n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1orm n ALA 67 N 3.23 0.00 -0.45 2.41 0.00 -1.26 -4.80 120.51 119.64 1orm n ALA 67 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1orm n ALA 67 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1orm n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1orm n GLY 68 N -1.49 0.69 3.60 0.00 0.00 -1.26 -4.26 105.19 102.46 1orm n GLY 68 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1orm n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1orm s PRO 69 N 0.00 3.61 0.00 1.61 0.04 -1.26 -3.92 135.00 135.08 1orm s PRO 69 Ca 0.00 0.98 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 1orm s PRO 69 Cb 0.00 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1orm s PRO 69 CO 0.00 -1.52 0.15 0.00 0.04 0.00 0.00 177.00 175.66 1orm s ALA 70 N 5.33 3.82 -0.30 8.56 0.00 -1.26 -4.87 121.76 133.05 1orm s ALA 70 Ca 0.61 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 51.52 1orm s ALA 70 Cb -0.14 -1.75 0.18 0.00 0.00 0.00 0.00 23.12 21.41 1orm s ALA 70 CO 0.32 0.74 1.34 -0.47 0.00 0.00 0.00 175.76 177.68 1orm s TYR 71 N -1.30 -0.14 0.00 0.00 5.04 -1.26 -4.83 117.35 114.86 1orm s TYR 71 Ca 0.27 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 1orm s TYR 71 Cb -0.12 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.58 1orm s TYR 71 CO 0.18 -0.07 0.00 -2.13 -1.34 0.00 0.00 175.55 172.19 1orm n ARG 72 N 1.99 0.00 -3.17 4.97 0.00 -1.26 -4.78 116.66 114.41 1orm n ARG 72 Ca -0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.58 1orm n ARG 72 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.04 1orm n ARG 72 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1orm n ILE 73 N 0.00 -5.86 -1.55 5.15 5.41 -1.26 -4.56 119.36 116.69 1orm n ILE 73 Ca 0.00 0.64 -0.13 0.00 1.00 0.00 0.00 62.75 64.26 1orm n ILE 73 Cb 0.00 -4.56 -0.09 0.00 -0.71 0.00 0.00 39.64 34.28 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 0.41 1.50 0.03 4.38 2.85 -1.26 -4.37 115.26 118.81 1orm n ASN 74 Ca -0.01 -1.72 -0.00 0.00 -0.11 0.00 0.00 54.58 52.73 1orm n ASN 74 Cb 0.48 -1.63 -0.00 0.00 1.24 0.00 0.00 39.78 39.87 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 18.44 0.76 0.00 1.20 9.92 -1.26 -5.01 116.55 140.60 1orm n ASP 75 Ca 0.46 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 1orm n ASP 75 Cb 0.43 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1orm n ASP 75 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1orm n TRP 76 N -3.35 0.00 -3.35 1.24 -0.00 -1.26 -5.16 117.44 105.55 1orm n TRP 76 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 1orm n TRP 76 Cb 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.50 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 0.00 -0.55 -2.94 5.87 0.00 -1.26 -5.14 120.51 116.48 1orm n ALA 77 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.17 1orm n ALA 77 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1orm n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1orm s SER 78 N -1.57 -0.73 -0.09 0.00 0.15 -1.26 -4.95 113.70 105.25 1orm s SER 78 Ca 0.05 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1orm s SER 78 Cb -0.01 0.99 0.01 0.00 -1.71 0.00 0.00 66.02 65.30 1orm s SER 78 CO 0.02 -0.09 -0.16 0.27 1.20 0.00 0.00 173.24 174.48 1orm s ILE 79 N 2.04 1.50 -0.11 6.45 -5.25 -1.26 -4.81 121.20 119.75 1orm s ILE 79 Ca 0.16 -0.68 -0.33 0.00 -0.99 0.00 0.00 60.65 58.81 1orm s ILE 79 Cb 0.00 -1.34 0.14 0.00 2.95 0.00 0.00 42.46 44.21 1orm s ILE 79 CO -0.14 0.44 1.33 -0.47 -1.79 0.00 0.00 174.94 174.31 1orm s TYR 80 N 0.66 -0.04 0.77 1.37 5.04 -1.26 -4.52 117.35 119.36 1orm s TYR 80 Ca -0.14 -0.01 -0.11 0.00 -2.44 0.00 0.00 57.07 54.37 1orm s TYR 80 Cb -0.16 0.52 0.05 0.00 0.35 0.00 0.00 41.96 42.72 1orm s TYR 80 CO 0.04 -0.15 1.09 0.20 -1.34 0.00 0.00 175.55 175.38 1orm s GLY 81 N -2.70 1.64 0.07 8.97 0.00 -1.26 -4.22 107.32 109.80 1orm s GLY 81 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.82 1orm s GLY 81 CO -0.05 0.30 -0.18 -1.34 0.00 0.00 0.00 173.10 171.83 1orm s VAL 82 N -3.10 1.46 -0.06 1.40 -7.23 -1.25 -4.83 120.40 106.78 1orm s VAL 82 Ca 0.60 -1.28 0.05 0.00 -1.81 0.00 0.00 61.98 59.55 1orm s VAL 82 Cb -0.15 -1.32 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 1orm s VAL 82 CO 0.55 0.00 -0.23 0.68 -0.31 0.00 0.00 175.10 175.79 1orm s VAL 83 N -1.01 2.23 0.01 1.32 -7.23 -1.23 -4.47 120.40 110.03 1orm s VAL 83 Ca 0.04 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 1orm s VAL 83 Cb -0.09 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1orm s VAL 83 CO 0.03 0.57 -0.02 -0.83 -0.31 0.00 0.00 175.10 174.53 1orm s GLY 84 N -0.19 0.15 -0.06 2.32 0.00 -1.26 -3.85 107.32 104.43 1orm s GLY 84 Ca -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 1orm s GLY 84 CO 0.03 -0.25 0.02 0.54 0.00 0.00 0.00 173.10 173.44 1orm s VAL 85 N -0.46 0.20 0.38 1.40 0.11 -1.26 -3.98 120.40 116.79 1orm s VAL 85 Ca -0.04 0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1orm s VAL 85 Cb -0.03 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.35 1orm s VAL 85 CO -0.00 0.22 0.80 -0.83 -3.33 0.00 0.00 175.10 171.96 1orm s GLY 86 N 1.87 2.22 -0.12 6.54 0.00 -1.26 -4.69 107.32 111.87 1orm s GLY 86 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.77 1orm s GLY 86 CO -0.04 0.27 -0.03 -0.47 0.00 0.00 0.00 173.10 172.83 1orm s TYR 87 N -2.18 3.05 -0.14 1.90 5.04 -1.26 -4.77 117.35 118.99 1orm s TYR 87 Ca 0.55 -0.08 -0.37 0.00 -2.44 0.00 0.00 57.07 54.74 1orm s TYR 87 Cb -0.10 -1.86 -0.14 0.00 0.35 0.00 0.00 41.96 40.21 1orm s TYR 87 CO 0.22 0.19 1.75 0.41 -1.34 0.00 0.00 175.55 176.78 1orm n GLY 88 N 2.85 1.08 0.00 8.97 0.00 -1.26 -4.85 105.19 111.98 1orm n GLY 88 Ca -0.18 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1orm n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1orm n LYS 89 N 5.50 0.00 -1.15 1.61 5.02 -1.26 -5.10 118.16 122.77 1orm n LYS 89 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1orm n LYS 89 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 1orm n LYS 89 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1orm n PHE 90 N 0.00 -0.72 0.00 2.13 -1.74 -1.26 -3.61 117.46 112.26 1orm n PHE 90 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1orm n PHE 90 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1orm n PHE 90 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1orm n GLN 91 N 0.00 0.00 0.00 3.97 10.64 0.42 -4.64 117.38 127.77 1orm n GLN 91 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1orm n GLN 91 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1orm n GLN 91 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1orm n THR 92 N 0.00 0.00 -0.61 -0.39 -1.04 -1.26 -4.43 114.28 106.56 1orm n THR 92 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1orm n THR 92 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1orm n THR 92 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1orm n THR 93 N 0.00 2.00 0.00 12.58 5.66 -1.26 -3.12 114.28 130.14 1orm n THR 93 Ca 0.00 -1.19 0.00 0.00 -3.05 0.00 0.00 64.05 59.81 1orm n THR 93 Cb 0.00 -2.02 0.00 0.00 -1.55 0.00 0.00 70.33 66.76 1orm n THR 93 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1orm n GLU 94 N 4.30 0.00 -3.98 1.09 2.13 -1.26 -1.94 120.64 120.99 1orm n GLU 94 Ca 0.36 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.09 1orm n GLU 94 Cb 0.11 -0.30 -0.06 0.00 0.27 0.00 0.00 31.44 31.45 1orm n GLU 94 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1orm s TYR 95 N -1.75 0.42 -0.96 4.31 2.02 -1.18 -4.83 117.35 115.36 1orm s TYR 95 Ca 0.00 -0.76 -0.07 0.00 -0.37 0.00 0.00 57.07 55.87 1orm s TYR 95 Cb 0.00 0.01 -0.10 0.00 -0.40 0.00 0.00 41.96 41.47 1orm s TYR 95 CO 0.00 -0.81 2.55 -0.35 -1.57 0.00 0.00 175.55 175.37 1orm n PRO 96 N -0.28 2.51 0.00 -1.71 -0.04 -1.26 -3.36 135.00 130.86 1orm n PRO 96 Ca -0.05 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 1orm n PRO 96 Cb 0.63 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1orm n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1orm n THR 97 N 3.66 0.00 -2.76 0.52 -2.24 -1.26 -5.12 114.28 107.08 1orm n THR 97 Ca 0.53 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.28 1orm n THR 97 Cb 0.28 -0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 1orm n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1orm n TYR 98 N -2.26 -3.22 -0.05 4.78 4.02 -1.21 -5.00 117.16 114.22 1orm n TYR 98 Ca 0.00 1.81 -0.04 0.00 -0.01 0.00 0.00 57.90 59.66 1orm n TYR 98 Cb 0.16 -3.14 -0.01 0.00 -0.02 0.00 0.00 39.34 36.33 1orm n TYR 98 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1orm n LYS 99 N 1.78 0.33 -4.20 -0.72 5.02 -1.26 -4.97 118.16 114.15 1orm n LYS 99 Ca -0.26 0.33 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 1orm n LYS 99 Cb 0.43 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.07 1orm n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1orm n ASN 100 N -3.87 0.43 -4.32 4.39 2.85 -1.26 -4.75 115.26 108.73 1orm n ASN 100 Ca -0.07 -1.18 -0.42 0.00 -0.11 0.00 0.00 54.58 52.80 1orm n ASN 100 Cb 0.25 -2.11 -0.00 0.00 1.24 0.00 0.00 39.78 39.16 1orm n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1orm n ASP 101 N -2.91 -2.64 -3.24 1.20 2.03 -1.26 -4.73 116.55 104.99 1orm n ASP 101 Ca -0.31 0.82 -0.37 0.00 0.52 0.00 0.00 54.79 55.45 1orm n ASP 101 Cb 0.69 -0.91 -0.03 0.00 -0.72 0.00 0.00 41.12 40.14 1orm n ASP 101 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1orm n THR 102 N -1.01 4.47 -3.23 5.18 5.66 -1.26 -4.56 114.28 119.52 1orm n THR 102 Ca 0.11 -3.01 -0.24 0.00 -3.05 0.00 0.00 64.05 57.86 1orm n THR 102 Cb 0.40 -2.39 -0.07 0.00 -1.55 0.00 0.00 70.33 66.72 1orm n THR 102 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1orm n SER 103 N 2.90 0.78 -4.40 1.09 7.64 -1.26 -5.06 113.62 115.31 1orm n SER 103 Ca 0.71 -2.82 -0.44 0.00 1.01 0.00 0.00 58.87 57.33 1orm n SER 103 Cb 0.29 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 1orm n SER 103 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1orm s ASP 104 N -1.41 6.22 -0.05 6.43 3.68 -1.26 -5.00 116.67 125.28 1orm s ASP 104 Ca 0.36 -1.40 -0.01 0.00 2.13 0.00 0.00 52.55 53.63 1orm s ASP 104 Cb 0.17 -2.33 0.03 0.00 -1.45 0.00 0.00 42.92 39.33 1orm s ASP 104 CO -0.09 -1.18 -0.00 -0.47 0.13 0.00 0.00 175.17 173.56 1orm s TYR 105 N 2.95 0.54 -0.24 -5.34 5.04 -1.26 -4.87 117.35 114.17 1orm s TYR 105 Ca 0.15 -0.09 -0.16 0.00 -2.44 0.00 0.00 57.07 54.53 1orm s TYR 105 Cb -0.21 -0.66 0.07 0.00 0.35 0.00 0.00 41.96 41.51 1orm s TYR 105 CO 0.06 -0.25 0.61 0.20 -1.34 0.00 0.00 175.55 174.84 1orm s GLY 106 N 1.60 -0.53 -0.29 8.97 0.00 -1.26 -4.84 107.32 110.96 1orm s GLY 106 Ca -0.01 2.06 0.02 0.00 0.00 0.00 0.00 44.72 46.79 1orm s GLY 106 CO -0.03 2.02 0.01 -0.12 0.00 0.00 0.00 173.10 174.98 1orm s PHE 107 N 1.25 2.88 0.73 1.90 5.36 -1.26 -4.21 117.98 124.62 1orm s PHE 107 Ca -0.07 -2.30 -0.07 0.00 -0.96 0.00 0.00 56.93 53.53 1orm s PHE 107 Cb -0.06 -2.17 0.07 0.00 -0.34 0.00 0.00 43.02 40.53 1orm s PHE 107 CO -0.13 -0.88 1.04 -1.54 -1.46 0.00 0.00 175.22 172.26 1orm s SER 108 N 1.22 4.70 -0.15 6.13 1.04 -1.26 -3.05 113.70 122.32 1orm s SER 108 Ca 0.04 0.46 -0.05 0.00 0.48 0.00 0.00 55.95 56.87 1orm s SER 108 Cb -0.19 -1.05 0.07 0.00 0.10 0.00 0.00 66.02 64.95 1orm s SER 108 CO -0.11 -1.69 0.32 -0.31 0.98 0.00 0.00 173.24 172.43 1orm s TYR 109 N -3.31 -0.55 0.12 5.02 2.02 -1.26 -4.65 117.35 114.74 1orm s TYR 109 Ca 0.61 1.16 0.05 0.00 -0.37 0.00 0.00 57.07 58.52 1orm s TYR 109 Cb -0.10 0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 1orm s TYR 109 CO 0.45 -0.40 -0.13 0.20 -1.57 0.00 0.00 175.55 174.11 1orm s GLY 110 N 2.49 1.03 -0.06 0.71 0.00 -1.26 -3.07 107.32 107.15 1orm s GLY 110 Ca 0.00 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 1orm s GLY 110 CO -0.10 -1.35 0.10 0.00 0.00 0.00 0.00 173.10 171.75 1orm s ALA 111 N -2.29 0.11 -0.61 3.20 0.00 -1.26 -3.84 121.76 117.07 1orm s ALA 111 Ca 0.09 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.24 1orm s ALA 111 Cb -0.04 -0.71 0.16 0.00 0.00 0.00 0.00 23.12 22.53 1orm s ALA 111 CO 0.02 -0.55 0.50 0.20 0.00 0.00 0.00 175.76 175.93 1orm s GLY 112 N 2.21 2.33 -0.07 0.00 0.00 -1.26 -3.94 107.32 106.60 1orm s GLY 112 Ca 0.04 -2.93 -0.04 0.00 0.00 0.00 0.00 44.72 41.79 1orm s GLY 112 CO -0.04 1.16 0.11 -2.27 0.00 0.00 0.00 173.10 172.05 1orm s LEU 113 N 0.70 4.13 -1.23 0.66 2.96 -1.25 -4.32 118.68 120.32 1orm s LEU 113 Ca 0.12 0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 1orm s LEU 113 Cb -0.21 -2.16 0.20 0.00 0.50 0.00 0.00 46.19 44.52 1orm s LEU 113 CO -0.03 0.35 1.84 1.67 -1.32 0.00 0.00 176.35 178.85 1orm n GLN 114 N 1.65 3.97 -3.87 1.98 7.27 -1.26 -4.08 117.38 123.05 1orm n GLN 114 Ca -0.17 -3.79 -0.30 0.00 0.07 0.00 0.00 57.00 52.81 1orm n GLN 114 Cb 0.54 -2.79 -0.14 0.00 2.41 0.00 0.00 30.24 30.26 1orm n GLN 114 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 1orm s PHE 115 N -0.65 2.74 0.01 3.69 2.19 -1.26 -5.09 117.98 119.62 1orm s PHE 115 Ca 0.39 -2.58 -0.00 0.00 0.33 0.00 0.00 56.93 55.07 1orm s PHE 115 Cb 0.10 -2.37 -0.01 0.00 -1.31 0.00 0.00 43.02 39.42 1orm s PHE 115 CO 0.02 -0.86 -0.02 0.54 1.83 0.00 0.00 175.22 176.73 1orm s ASN 116 N 0.76 0.17 0.00 6.13 4.22 -1.26 -4.47 114.94 120.49 1orm s ASN 116 Ca 0.13 -0.36 0.21 0.00 -2.14 0.00 0.00 52.86 50.70 1orm s ASN 116 Cb -0.21 0.07 1.22 0.00 1.28 0.00 0.00 41.25 43.62 1orm s ASN 116 CO -0.09 -0.22 1.64 -0.81 -2.04 0.00 0.00 177.10 175.58 1orm n PRO 117 N 2.01 0.75 -1.75 3.55 -0.04 -1.26 -4.84 135.00 133.41 1orm n PRO 117 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1orm n PRO 117 Cb 0.56 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1orm n PRO 117 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1orm n MET 118 N -0.93 0.00 0.01 0.54 1.56 -1.26 -5.03 117.12 112.01 1orm n MET 118 Ca 0.15 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.57 1orm n MET 118 Cb 0.07 -2.18 -0.00 0.00 2.15 0.00 0.00 33.22 33.25 1orm n MET 118 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1orm n GLU 119 N -0.87 0.06 -1.24 2.12 2.13 -1.26 -5.02 120.64 116.55 1orm n GLU 119 Ca 0.00 0.02 -0.00 0.00 0.66 0.00 0.00 57.16 57.84 1orm n GLU 119 Cb 0.44 -0.41 0.00 0.00 0.27 0.00 0.00 31.44 31.74 1orm n GLU 119 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1orm n ASN 120 N -3.13 -0.02 -4.19 4.31 4.13 -1.26 -5.13 115.26 109.96 1orm n ASN 120 Ca -0.01 -0.75 -0.18 0.00 1.68 0.00 0.00 54.58 55.32 1orm n ASN 120 Cb 0.06 0.01 -0.12 0.00 -1.54 0.00 0.00 39.78 38.19 1orm n ASN 120 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1orm s VAL 121 N 0.00 1.16 -0.34 2.41 -7.23 -1.26 -4.08 120.40 111.05 1orm s VAL 121 Ca 0.00 -1.45 0.10 0.00 -1.81 0.00 0.00 61.98 58.82 1orm s VAL 121 Cb 0.01 -1.22 0.35 0.00 0.56 0.00 0.00 36.38 36.07 1orm s VAL 121 CO -0.00 -0.31 1.37 0.00 -0.31 0.00 0.00 175.10 175.85 1orm n ALA 122 N 1.01 1.51 -2.54 1.32 0.00 -1.26 -4.62 120.51 115.93 1orm n ALA 122 Ca -0.19 -1.01 -0.01 0.00 0.00 0.00 0.00 53.44 52.23 1orm n ALA 122 Cb 0.55 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 19.11 1orm n ALA 122 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1orm n LEU 123 N -0.98 -0.25 -0.07 0.00 -0.00 -1.26 -4.70 117.00 109.73 1orm n LEU 123 Ca -0.11 -1.17 -0.08 0.00 -0.00 0.00 0.00 56.01 54.65 1orm n LEU 123 Cb 0.83 0.97 0.09 0.00 -0.00 0.00 0.00 43.42 45.31 1orm n LEU 123 CO -0.11 1.02 0.68 0.44 -0.00 0.00 0.00 177.39 179.42 1orm h ASP 124 N 0.24 0.76 -2.97 1.96 5.19 -1.78 -2.91 116.42 116.91 1orm h ASP 124 Ca -0.14 -0.29 -0.72 0.00 -0.62 0.00 0.00 57.03 55.26 1orm h ASP 124 Cb 1.06 -0.21 -0.21 0.00 0.18 0.00 0.00 39.33 40.15 1orm h ASP 124 CO -0.05 0.99 0.37 -0.36 -3.12 0.00 0.00 179.24 177.07 1orm s PHE 125 N -4.54 3.24 -0.08 4.55 0.40 -1.26 -4.57 117.98 115.71 1orm s PHE 125 Ca -0.09 -1.38 0.03 0.00 -0.60 0.00 0.00 56.93 54.89 1orm s PHE 125 Cb 0.13 -4.06 -0.02 0.00 0.51 0.00 0.00 43.02 39.58 1orm s PHE 125 CO 0.84 -1.29 -0.17 -1.12 0.70 0.00 0.00 175.22 174.18 1orm s SER 126 N 3.23 3.77 0.67 1.36 0.01 -1.25 -3.95 113.70 117.54 1orm s SER 126 Ca 0.21 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 1orm s SER 126 Cb -0.13 -1.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.95 1orm s SER 126 CO -0.03 0.25 1.07 -0.47 0.41 0.00 0.00 173.24 174.47 1orm s TYR 127 N -0.18 3.44 -0.16 2.43 5.04 -1.26 -4.73 117.35 121.93 1orm s TYR 127 Ca -0.01 1.15 -0.16 0.00 -2.44 0.00 0.00 57.07 55.61 1orm s TYR 127 Cb -0.13 -2.93 -0.04 0.00 0.35 0.00 0.00 41.96 39.21 1orm s TYR 127 CO 0.03 -0.99 0.40 -1.83 -1.34 0.00 0.00 175.55 171.82 1orm s GLU 128 N -5.28 4.25 0.00 4.97 -1.05 -1.24 -4.35 118.70 116.00 1orm s GLU 128 Ca 0.57 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 55.64 1orm s GLU 128 Cb -0.11 -3.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.10 1orm s GLU 128 CO 0.53 0.10 0.00 1.04 0.95 0.00 0.00 175.26 177.87 1orm n GLN 129 N 3.98 0.51 -0.38 -4.83 3.00 -0.54 -4.23 117.38 114.90 1orm n GLN 129 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1orm n GLN 129 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.75 1orm n GLN 129 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1orm n SER 130 N -1.33 0.00 0.00 1.08 2.88 -1.17 -1.76 113.62 113.32 1orm n SER 130 Ca 0.00 -0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1orm n SER 130 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1orm n SER 130 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1orm n ARG 131 N 0.00 0.00 -4.07 -1.46 0.63 -1.25 -4.56 116.66 105.95 1orm n ARG 131 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 1orm n ARG 131 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 1orm n ARG 131 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1orm s ILE 132 N 0.00 0.40 0.00 5.15 1.01 -1.25 -4.62 121.20 121.88 1orm s ILE 132 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1orm s ILE 132 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1orm s ILE 132 CO 0.00 -0.64 0.34 0.54 0.00 0.00 0.00 174.94 175.18 1orm n ARG 133 N 0.92 0.00 -1.38 2.79 1.74 -1.26 -0.63 116.66 118.84 1orm n ARG 133 Ca -0.19 0.34 -0.30 0.00 -0.77 0.00 0.00 57.85 56.93 1orm n ARG 133 Cb 0.57 -0.73 -0.07 0.00 -1.02 0.00 0.00 32.46 31.21 1orm n ARG 133 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1orm n SER 134 N -0.76 7.31 -3.68 0.55 7.64 -1.26 -4.76 113.62 118.66 1orm n SER 134 Ca 0.00 -2.74 -0.09 0.00 1.01 0.00 0.00 58.87 57.04 1orm n SER 134 Cb 0.00 -1.44 -0.10 0.00 -1.01 0.00 0.00 64.21 61.66 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 0.58 -0.23 -0.07 0.44 1.01 0.19 -4.98 120.40 117.34 1orm s VAL 135 Ca 0.65 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 1orm s VAL 135 Cb 0.25 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.99 1orm s VAL 135 CO -0.07 0.04 0.15 1.51 0.00 0.00 0.00 175.10 176.73 1orm s ASP 136 N 1.82 -0.11 -0.45 3.32 1.47 -1.26 -3.78 116.67 117.68 1orm s ASP 136 Ca -0.07 0.30 -0.22 0.00 1.18 0.00 0.00 52.55 53.74 1orm s ASP 136 Cb -0.09 0.19 0.03 0.00 -0.34 0.00 0.00 42.92 42.71 1orm s ASP 136 CO -0.14 -0.15 0.72 -0.69 0.68 0.00 0.00 175.17 175.59 1orm s VAL 137 N 1.14 4.73 -0.17 2.11 1.01 -0.72 -4.32 120.40 124.19 1orm s VAL 137 Ca -0.09 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 1orm s VAL 137 Cb -0.11 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1orm s VAL 137 CO -0.06 -0.69 1.29 -0.83 0.00 0.00 0.00 175.10 174.81 1orm s GLY 138 N 2.15 1.62 -0.87 4.51 0.00 -1.07 -1.47 107.32 112.19 1orm s GLY 138 Ca 0.25 0.46 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 1orm s GLY 138 CO 0.20 2.54 0.75 -1.59 0.00 0.00 0.00 173.10 175.00 1orm s THR 139 N 3.60 4.36 -0.74 0.90 2.01 -1.26 -4.02 115.64 120.48 1orm s THR 139 Ca 0.56 -3.72 -0.10 0.00 0.31 0.00 0.00 61.69 58.74 1orm s THR 139 Cb -0.22 -3.72 0.19 0.00 0.01 0.00 0.00 72.50 68.77 1orm s THR 139 CO 0.16 -1.07 0.64 0.26 -0.69 0.00 0.00 174.62 173.92 1orm s TRP 140 N -1.17 3.62 0.00 4.92 0.51 -1.26 -4.47 118.94 121.10 1orm s TRP 140 Ca 0.26 -2.22 0.00 0.00 -2.12 0.00 0.00 56.10 52.02 1orm s TRP 140 Cb -0.09 -3.60 0.00 0.00 -0.81 0.00 0.00 33.47 28.97 1orm s TRP 140 CO -0.11 -0.94 0.00 1.51 -0.51 0.00 0.00 176.95 176.90 1orm n ILE 141 N 3.86 0.00 -4.25 2.03 0.13 -1.26 -4.92 119.36 114.95 1orm n ILE 141 Ca 0.10 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.62 1orm n ILE 141 Cb 0.43 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.13 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 -1.00 1.39 0.32 1.51 0.00 -1.25 -4.38 121.76 118.34 1orm s ALA 142 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1orm s ALA 142 Cb 0.00 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1orm s ALA 142 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1orm n GLY 143 N -0.31 1.03 2.71 0.00 0.00 -1.10 -4.31 105.19 103.20 1orm n GLY 143 Ca -0.02 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 1orm n GLY 143 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1orm n VAL 144 N -0.47 0.00 -5.07 1.61 3.14 -1.03 -4.23 118.33 112.29 1orm n VAL 144 Ca 0.00 -0.58 -0.31 0.00 -2.96 0.00 0.00 64.34 60.49 1orm n VAL 144 Cb 0.00 0.82 -0.15 0.00 -1.06 0.00 0.00 33.84 33.45 1orm n VAL 144 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1orm s GLY 145 N 0.72 1.38 -0.72 7.55 0.00 -1.15 -4.25 107.32 110.84 1orm s GLY 145 Ca 0.26 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.89 1orm s GLY 145 CO -0.09 -0.97 0.79 1.58 0.00 0.00 0.00 173.10 174.40 1orm n TYR 146 N 2.16 3.49 -2.22 1.90 4.11 -1.26 -4.59 117.16 120.76 1orm n TYR 146 Ca -0.16 -4.02 0.00 0.00 -0.00 0.00 0.00 57.90 53.72 1orm n TYR 146 Cb 0.52 -0.69 0.00 0.00 -0.00 0.00 0.00 39.34 39.17 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 1.20 -2.61 0.00 -3.48 1.74 -1.26 -4.87 116.66 107.38 1orm n ARG 147 Ca 0.27 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 1orm n ARG 147 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1orm n ARG 147 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30