#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zey s VAL 4 N 0.00 5.08 -0.26 2.03 1.01 -1.26 -5.03 120.40 121.97 2zey s VAL 4 Ca 0.00 0.99 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 2zey s VAL 4 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2zey s VAL 4 CO 0.00 0.15 1.03 0.21 0.00 0.00 0.00 175.10 176.49 2zey s ASN 5 N 1.20 7.00 0.00 3.32 3.84 -1.26 -4.40 114.94 124.65 2zey s ASN 5 Ca 0.25 1.21 0.28 0.00 0.21 0.00 0.00 52.86 54.80 2zey s ASN 5 Cb -0.15 -2.53 1.23 0.00 -0.55 0.00 0.00 41.25 39.24 2zey s ASN 5 CO 0.10 -0.73 1.90 0.23 -2.79 0.00 0.00 177.10 175.81 2zey n MET 6 N 6.48 0.08 -2.85 0.43 2.81 0.28 -4.79 117.12 119.56 2zey n MET 6 Ca 0.11 0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.62 2zey n MET 6 Cb 0.47 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 2zey n MET 6 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2zey s VAL 7 N -2.92 4.87 0.17 2.03 1.01 -1.26 -5.01 120.40 119.30 2zey s VAL 7 Ca 0.16 1.82 -0.27 0.00 0.00 0.00 0.00 61.98 63.69 2zey s VAL 7 Cb 0.18 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 2zey s VAL 7 CO 0.49 0.23 0.84 -0.44 0.00 0.00 0.00 175.10 176.21 2zey s SER 8 N 0.71 7.45 -1.16 3.32 0.01 -1.26 -4.13 113.70 118.65 2zey s SER 8 Ca 0.45 1.72 -0.26 0.00 1.31 0.00 0.00 55.95 59.17 2zey s SER 8 Cb -0.20 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.51 2zey s SER 8 CO 0.25 0.15 0.75 -3.20 0.41 0.00 0.00 173.24 171.60 2zey n ASN 9 N 1.78 -4.88 0.10 2.44 5.15 -1.26 -4.84 115.26 113.74 2zey n ASN 9 Ca -0.04 -1.13 0.13 0.00 -0.60 0.00 0.00 54.58 52.95 2zey n ASN 9 Cb 0.48 -2.67 0.44 0.00 -0.53 0.00 0.00 39.78 37.50 2zey n ASN 9 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2zey n PRO 10 N -4.49 0.23 -0.19 1.20 -0.04 -1.26 -2.67 135.00 127.77 2zey n PRO 10 Ca -0.10 0.22 0.07 0.00 -0.04 0.00 0.00 63.50 63.65 2zey n PRO 10 Cb 0.58 -1.78 0.16 0.00 -0.04 0.00 0.00 33.50 32.42 2zey n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2zey n GLY 11 N 1.17 4.06 2.24 0.55 0.00 -1.26 -1.69 105.19 110.26 2zey n GLY 11 Ca 0.05 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 2zey n GLY 11 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2zey n PHE 12 N -0.76 -1.20 0.26 1.61 3.72 -1.09 -4.53 117.46 115.47 2zey n PHE 12 Ca 0.15 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.70 2zey n PHE 12 Cb 0.63 -2.38 0.54 0.00 -0.94 0.00 0.00 39.48 37.33 2zey n PHE 12 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2zey h GLU 13 N 0.00 0.00 -0.91 -1.08 4.39 -1.84 -2.77 114.58 112.37 2zey h GLU 13 Ca -0.23 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 58.87 2zey h GLU 13 Cb 1.02 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.37 2zey h GLU 13 CO 0.29 0.04 0.52 -0.25 -1.16 0.00 0.00 179.01 178.45 2zey n ASP 14 N -3.14 6.18 0.00 1.42 8.00 -1.26 -4.97 116.55 122.79 2zey n ASP 14 Ca 0.01 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.76 2zey n ASP 14 Cb 0.38 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 2zey n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2zey n GLY 15 N -0.95 2.34 1.30 0.44 0.00 -1.04 -2.83 105.19 104.43 2zey n GLY 15 Ca 0.57 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.36 2zey n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2zey n LEU 16 N 0.00 3.88 -4.68 0.99 4.77 -1.26 -4.58 117.00 116.12 2zey n LEU 16 Ca 0.00 -2.00 -0.44 0.00 -0.03 0.00 0.00 56.01 53.54 2zey n LEU 16 Cb 0.00 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2zey n LEU 16 CO 0.00 0.97 1.03 0.47 -1.33 0.00 0.00 177.39 178.53 2zey n ASP 17 N 1.56 2.87 0.00 -1.43 9.92 -1.13 -1.78 116.55 126.56 2zey n ASP 17 Ca 0.23 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.64 2zey n ASP 17 Cb 0.61 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 2zey n ASP 17 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2zey n SER 18 N 2.04 0.00 -4.62 -2.24 7.64 -1.26 -4.68 113.62 110.51 2zey n SER 18 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.64 2zey n SER 18 Cb 0.32 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 2zey n SER 18 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2zey s TRP 19 N -2.88 3.22 0.45 1.43 0.52 -0.73 -4.64 118.94 116.30 2zey s TRP 19 Ca 0.00 0.03 -0.22 0.00 0.02 0.00 0.00 56.10 55.92 2zey s TRP 19 Cb 0.00 -2.07 -0.08 0.00 -1.15 0.00 0.00 33.47 30.17 2zey s TRP 19 CO 0.00 0.13 1.08 -0.65 0.02 0.00 0.00 176.95 177.53 2zey s GLN 20 N 0.39 3.92 -0.48 4.98 -0.21 0.46 -4.90 119.66 123.81 2zey s GLN 20 Ca 0.02 1.54 0.03 0.00 0.02 0.00 0.00 55.36 56.97 2zey s GLN 20 Cb -0.13 -2.36 0.14 0.00 1.00 0.00 0.00 33.01 31.66 2zey s GLN 20 CO 0.00 -0.36 0.27 0.34 -2.12 0.00 0.00 175.29 173.42 2zey s ASP 21 N -1.64 3.84 0.51 5.90 2.15 -1.26 -2.71 116.67 123.46 2zey s ASP 21 Ca 0.63 -2.84 0.30 0.00 0.43 0.00 0.00 52.55 51.06 2zey s ASP 21 Cb -0.22 -1.22 0.98 0.00 -0.30 0.00 0.00 42.92 42.16 2zey s ASP 21 CO 0.27 -0.24 1.84 -0.50 -0.17 0.00 0.00 175.17 176.38 2zey h TRP 22 N 6.52 0.00 0.00 -5.34 6.55 -1.81 -3.24 115.95 118.63 2zey h TRP 22 Ca -0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.83 2zey h TRP 22 Cb 0.90 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.20 2zey h TRP 22 CO 0.50 0.00 -0.13 1.04 -1.05 0.00 0.00 178.44 178.80 2zey n GLN 23 N -3.09 0.99 -2.18 0.49 3.00 -1.26 -5.00 117.38 110.33 2zey n GLN 23 Ca 0.02 -1.30 -0.13 0.00 -0.01 0.00 0.00 57.00 55.58 2zey n GLN 23 Cb 0.39 -0.83 -0.02 0.00 0.00 0.00 0.00 30.24 29.79 2zey n GLN 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2zey n GLN 24 N -0.42 -1.95 -0.99 -1.09 3.00 -1.22 -4.85 117.38 109.86 2zey n GLN 24 Ca 0.03 0.69 -0.12 0.00 -0.01 0.00 0.00 57.00 57.59 2zey n GLN 24 Cb 0.52 -5.21 0.19 0.00 0.00 0.00 0.00 30.24 25.73 2zey n GLN 24 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2zey n ASP 25 N -1.52 3.02 -4.14 1.08 2.03 -1.26 -4.97 116.55 110.79 2zey n ASP 25 Ca -0.15 -3.74 -0.24 0.00 0.52 0.00 0.00 54.79 51.18 2zey n ASP 25 Cb 0.58 -0.71 -0.15 0.00 -0.72 0.00 0.00 41.12 40.12 2zey n ASP 25 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2zey s MET 26 N -3.29 1.31 0.01 -0.67 -1.94 -1.26 -1.65 119.30 111.80 2zey s MET 26 Ca 0.49 -0.57 -0.16 0.00 -1.71 0.00 0.00 55.69 53.74 2zey s MET 26 Cb 0.43 -1.26 0.03 0.00 2.01 0.00 0.00 34.83 36.04 2zey s MET 26 CO 0.03 0.34 0.34 -1.54 -0.01 0.00 0.00 175.02 174.18 2zey s SER 27 N -0.37 -0.20 -0.61 3.03 1.04 -0.85 -5.03 113.70 110.69 2zey s SER 27 Ca 0.06 0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.33 2zey s SER 27 Cb -0.06 0.35 0.12 0.00 0.10 0.00 0.00 66.02 66.53 2zey s SER 27 CO -0.01 -0.53 0.68 0.00 0.98 0.00 0.00 173.24 174.36 2zey s ALA 28 N -1.83 3.53 0.12 5.32 0.00 -1.26 -0.96 121.76 126.68 2zey s ALA 28 Ca -0.10 -2.43 0.11 0.00 0.00 0.00 0.00 51.96 49.53 2zey s ALA 28 Cb -0.03 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2zey s ALA 28 CO 0.01 -2.29 -0.26 0.14 0.00 0.00 0.00 175.76 173.36 2zey s VAL 29 N 2.18 2.18 0.35 0.00 -7.23 -0.47 -4.79 120.40 112.63 2zey s VAL 29 Ca 0.11 -1.71 0.32 0.00 -1.81 0.00 0.00 61.98 58.89 2zey s VAL 29 Cb -0.24 -1.93 0.35 0.00 0.56 0.00 0.00 36.38 35.12 2zey s VAL 29 CO 0.03 0.09 2.09 -0.65 -0.31 0.00 0.00 175.10 176.35 2zey h PRO 30 N 3.96 0.00 0.00 4.82 0.11 -1.86 -1.71 132.00 137.32 2zey h PRO 30 Ca -0.50 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2zey h PRO 30 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2zey h PRO 30 CO 0.39 0.07 -0.19 1.05 -0.21 0.00 0.00 178.00 179.12 2zey h GLU 31 N 0.00 0.00 -0.34 1.05 4.11 -1.93 -2.68 114.58 114.80 2zey h GLU 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2zey h GLU 31 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2zey h GLU 31 CO 0.01 0.19 0.00 0.00 0.07 0.00 0.00 179.01 179.28 2zey n ALA 32 N -2.30 2.44 -2.49 1.06 0.00 -0.69 -4.97 120.51 113.57 2zey n ALA 32 Ca -0.01 -0.87 -0.42 0.00 0.00 0.00 0.00 53.44 52.13 2zey n ALA 32 Cb 0.31 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 2zey n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zey s ALA 33 N -1.57 3.35 -0.24 0.00 0.00 -1.01 -4.02 121.76 118.27 2zey s ALA 33 Ca 0.37 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.16 2zey s ALA 33 Cb 0.21 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.71 2zey s ALA 33 CO 0.30 -0.42 -0.14 1.58 0.00 0.00 0.00 175.76 177.09 2zey n HIS 34 N 4.03 0.00 -4.15 0.00 -0.00 -1.26 -4.89 115.22 108.95 2zey n HIS 34 Ca 0.08 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.17 2zey n HIS 34 Cb 0.47 -0.99 -0.10 0.00 -0.12 0.00 0.00 29.99 29.25 2zey n HIS 34 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 2zey s ASN 35 N -6.19 0.93 0.84 0.26 0.02 -1.26 -5.11 114.94 104.43 2zey s ASN 35 Ca -0.27 -1.01 0.00 0.00 -1.02 0.00 0.00 52.86 50.56 2zey s ASN 35 Cb 0.08 0.13 0.00 0.00 0.02 0.00 0.00 41.25 41.48 2zey s ASN 35 CO 0.66 -0.51 0.00 0.61 0.02 0.00 0.00 177.10 177.88 2zey n GLY 36 N -0.00 0.61 0.09 0.66 0.00 -1.26 -4.24 105.19 101.04 2zey n GLY 36 Ca -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.06 2zey n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zey n ALA 37 N 2.67 2.08 -2.48 4.61 0.00 -1.26 -4.97 120.51 121.15 2zey n ALA 37 Ca 0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 2zey n ALA 37 Cb 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 18.43 2zey n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2zey s LEU 38 N -5.58 2.41 0.30 0.00 1.43 -1.26 -4.18 118.68 111.80 2zey s LEU 38 Ca -0.03 -0.81 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 2zey s LEU 38 Cb 0.09 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 2zey s LEU 38 CO 0.82 -0.23 0.19 -0.83 0.23 0.00 0.00 176.35 176.53 2zey s GLY 39 N -2.46 2.08 -0.22 -3.19 0.00 -0.94 -4.53 107.32 98.06 2zey s GLY 39 Ca 0.07 -1.81 -0.16 0.00 0.00 0.00 0.00 44.72 42.82 2zey s GLY 39 CO 0.01 -1.54 0.39 -2.27 0.00 0.00 0.00 173.10 169.69 2zey s LEU 40 N -3.35 4.13 -0.26 0.66 2.96 0.69 -1.37 118.68 122.14 2zey s LEU 40 Ca 0.37 0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 2zey s LEU 40 Cb 0.04 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 2zey s LEU 40 CO 0.19 -0.10 0.09 -0.75 -1.32 0.00 0.00 176.35 174.47 2zey s LYS 41 N 1.46 3.72 -0.29 1.98 2.20 -0.13 -1.02 119.74 127.65 2zey s LYS 41 Ca 0.18 -0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 55.24 2zey s LYS 41 Cb -0.15 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2zey s LYS 41 CO 0.08 -0.19 0.18 0.42 -0.36 0.00 0.00 175.35 175.48 2zey s ILE 42 N 1.64 5.08 0.23 5.43 1.01 0.14 -2.01 121.20 132.71 2zey s ILE 42 Ca 0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 2zey s ILE 42 Cb -0.15 -3.47 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 2zey s ILE 42 CO 0.05 0.20 1.24 -0.83 0.00 0.00 0.00 174.94 175.59 2zey s GLY 43 N 1.72 2.71 0.78 6.18 0.00 -0.66 -1.21 107.32 116.84 2zey s GLY 43 Ca 0.06 1.04 -0.11 0.00 0.00 0.00 0.00 44.72 45.72 2zey s GLY 43 CO 0.09 1.88 1.10 -0.32 0.00 0.00 0.00 173.10 175.86 2zey s GLY 44 N -0.05 1.76 0.00 0.20 0.00 -1.24 -4.44 107.32 103.55 2zey s GLY 44 Ca 0.52 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.61 2zey s GLY 44 CO 0.40 0.73 0.00 0.61 0.00 0.00 0.00 173.10 174.84 2zey n GLY 45 N -0.88 1.59 3.39 0.20 0.00 -0.48 -4.89 105.19 104.11 2zey n GLY 45 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2zey n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zey s LYS 46 N -0.01 1.13 0.25 1.61 -2.85 -1.26 -4.85 119.74 113.77 2zey s LYS 46 Ca 0.00 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.25 2zey s LYS 46 Cb 0.00 0.51 -0.10 0.00 -2.06 0.00 0.00 37.83 36.19 2zey s LYS 46 CO 0.00 -0.45 1.38 0.00 0.10 0.00 0.00 175.35 176.38 2zey s ALA 47 N -3.21 3.57 -0.13 0.59 0.00 -1.25 -4.79 121.76 116.54 2zey s ALA 47 Ca -0.01 1.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.90 2zey s ALA 47 Cb -0.00 -3.52 0.13 0.00 0.00 0.00 0.00 23.12 19.73 2zey s ALA 47 CO -0.08 -0.67 1.03 0.00 0.00 0.00 0.00 175.76 176.05 2zey s ALA 48 N -0.23 -1.94 0.00 0.00 0.00 -0.67 -5.00 121.76 113.92 2zey s ALA 48 Ca 0.56 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2zey s ALA 48 Cb -0.40 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2zey s ALA 48 CO 0.44 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2zey n GLY 49 N 0.26 1.20 0.00 0.00 0.00 -1.26 -1.03 105.19 104.36 2zey n GLY 49 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2zey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zey n GLY 50 N 0.00 0.82 0.00 -0.02 0.00 -0.31 -2.06 105.19 103.62 2zey n GLY 50 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2zey n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zey n GLY 51 N 0.00 -1.05 3.22 -0.02 0.00 -1.10 0.53 105.19 106.77 2zey n GLY 51 Ca 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2zey n GLY 51 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2zey s GLN 52 N -0.78 0.69 -0.03 1.61 -2.07 -0.55 -0.40 119.66 118.12 2zey s GLN 52 Ca 0.00 -0.37 -0.29 0.00 -1.82 0.00 0.00 55.36 52.89 2zey s GLN 52 Cb 0.00 0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 2zey s GLN 52 CO 0.00 -0.20 0.95 -0.51 -1.32 0.00 0.00 175.29 174.21 2zey s ASP 53 N -1.64 7.29 -0.35 12.60 1.01 -1.26 -0.85 116.67 133.47 2zey s ASP 53 Ca -0.10 1.56 -0.00 0.00 0.71 0.00 0.00 52.55 54.72 2zey s ASP 53 Cb -0.04 -2.54 0.11 0.00 1.01 0.00 0.00 42.92 41.46 2zey s ASP 53 CO 0.01 -0.28 0.15 -0.63 0.21 0.00 0.00 175.17 174.62 2zey s ILE 54 N 1.21 0.89 0.14 0.77 1.01 -0.19 -4.95 121.20 120.07 2zey s ILE 54 Ca 0.49 -1.69 -0.35 0.00 0.00 0.00 0.00 60.65 59.10 2zey s ILE 54 Cb -0.20 -1.66 -0.15 0.00 0.01 0.00 0.00 42.46 40.46 2zey s ILE 54 CO 0.24 -0.77 1.41 -2.65 0.00 0.00 0.00 174.94 173.18 2zey n PRO 55 N 4.45 1.58 -4.48 2.79 -0.02 -1.26 -4.19 135.00 133.87 2zey n PRO 55 Ca 0.02 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.83 2zey n PRO 55 Cb 0.40 -2.24 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2zey n PRO 55 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2zey s LEU 56 N 0.61 2.63 0.37 2.45 1.43 -1.26 -5.02 118.68 119.89 2zey s LEU 56 Ca 0.80 -1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 2zey s LEU 56 Cb -0.82 -1.00 -0.10 0.00 0.03 0.00 0.00 46.19 44.29 2zey s LEU 56 CO 0.45 -0.08 0.95 -0.54 0.23 0.00 0.00 176.35 177.35 2zey s LYS 57 N -3.57 4.41 0.73 1.70 1.02 -1.26 -5.03 119.74 117.75 2zey s LYS 57 Ca 0.30 1.24 -0.11 0.00 0.02 0.00 0.00 55.97 57.42 2zey s LYS 57 Cb -0.02 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2zey s LYS 57 CO 0.15 0.13 1.08 -1.25 -0.92 0.00 0.00 175.35 174.54 2zey s PRO 58 N -2.57 2.63 -1.63 -1.68 0.04 -1.26 -4.03 135.00 126.49 2zey s PRO 58 Ca 0.56 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 2zey s PRO 58 Cb -0.14 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.54 2zey s PRO 58 CO 0.19 -1.25 0.76 0.09 0.04 0.00 0.00 177.00 176.83 2zey n ASN 59 N -3.19 -3.06 -4.01 6.66 5.03 -0.40 -4.93 115.26 111.35 2zey n ASN 59 Ca 0.07 -0.98 -0.19 0.00 0.87 0.00 0.00 54.58 54.36 2zey n ASN 59 Cb 0.55 -2.97 -0.15 0.00 -1.02 0.00 0.00 39.78 36.19 2zey n ASN 59 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2zey s THR 60 N -3.40 0.68 -0.17 3.41 2.01 -1.25 -4.87 115.64 112.04 2zey s THR 60 Ca 0.61 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 2zey s THR 60 Cb -0.33 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 2zey s THR 60 CO 0.91 0.20 0.39 -0.89 -0.69 0.00 0.00 174.62 174.54 2zey s THR 61 N -0.09 5.22 0.18 -0.82 2.01 -1.26 -1.45 115.64 119.43 2zey s THR 61 Ca 0.02 0.73 0.08 0.00 0.31 0.00 0.00 61.69 62.83 2zey s THR 61 Cb -0.05 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2zey s THR 61 CO -0.00 0.30 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.76 2zey s TYR 62 N 0.94 1.78 -0.09 4.92 2.02 0.41 -1.94 117.35 125.38 2zey s TYR 62 Ca 0.20 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 2zey s TYR 62 Cb -0.14 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 2zey s TYR 62 CO 0.07 0.35 -0.03 0.42 -1.57 0.00 0.00 175.55 174.79 2zey s ILE 63 N -2.45 4.01 -0.12 2.71 1.09 0.27 -1.27 121.20 125.44 2zey s ILE 63 Ca 0.19 -0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.41 2zey s ILE 63 Cb -0.04 -2.68 0.01 0.00 -1.06 0.00 0.00 42.46 38.69 2zey s ILE 63 CO 0.07 0.58 -0.19 -0.22 -0.10 0.00 0.00 174.94 175.07 2zey s LEU 64 N -0.61 1.95 0.04 2.97 2.96 -0.41 -1.44 118.68 124.15 2zey s LEU 64 Ca 0.10 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 2zey s LEU 64 Cb -0.12 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 2zey s LEU 64 CO 0.02 0.06 0.13 -0.83 -1.32 0.00 0.00 176.35 174.41 2zey s GLY 65 N 0.82 0.13 -0.00 7.98 0.00 0.26 -0.42 107.32 116.10 2zey s GLY 65 Ca -0.08 -0.49 -0.28 0.00 0.00 0.00 0.00 44.72 43.86 2zey s GLY 65 CO -0.00 -0.65 0.76 0.00 0.00 0.00 0.00 173.10 173.21 2zey s ALA 66 N -2.72 -1.76 -0.10 3.20 0.00 -0.80 0.73 121.76 120.30 2zey s ALA 66 Ca -0.04 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 2zey s ALA 66 Cb -0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2zey s ALA 66 CO -0.05 -0.53 0.26 -1.58 0.00 0.00 0.00 175.76 173.85 2zey s TRP 67 N -2.27 3.58 -0.05 0.00 0.52 -0.85 -1.95 118.94 117.92 2zey s TRP 67 Ca -0.03 0.66 -0.23 0.00 0.02 0.00 0.00 56.10 56.52 2zey s TRP 67 Cb -0.01 -2.17 0.05 0.00 -1.15 0.00 0.00 33.47 30.19 2zey s TRP 67 CO -0.02 0.53 0.51 0.00 0.02 0.00 0.00 176.95 178.00 2zey s ALA 68 N -0.50 -1.32 -0.25 0.98 0.00 -0.58 -1.85 121.76 118.24 2zey s ALA 68 Ca 0.17 0.91 -0.26 0.00 0.00 0.00 0.00 51.96 52.79 2zey s ALA 68 Cb -0.13 -0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.03 2zey s ALA 68 CO 0.06 -0.32 0.76 -1.59 0.00 0.00 0.00 175.76 174.68 2zey s LYS 69 N -1.14 0.81 0.62 0.00 -2.85 -0.63 -1.79 119.74 114.75 2zey s LYS 69 Ca -0.11 0.88 -0.08 0.00 -1.00 0.00 0.00 55.97 55.65 2zey s LYS 69 Cb -0.02 0.39 -0.00 0.00 -2.06 0.00 0.00 37.83 36.13 2zey s LYS 69 CO 0.07 -0.11 0.97 -0.06 0.10 0.00 0.00 175.35 176.31 2zey s PHE 70 N 0.22 3.38 -1.72 1.78 0.08 -0.59 -0.30 117.98 120.83 2zey s PHE 70 Ca -0.00 0.90 0.24 0.00 0.12 0.00 0.00 56.93 58.18 2zey s PHE 70 Cb -0.05 -2.78 0.22 0.00 -0.57 0.00 0.00 43.02 39.85 2zey s PHE 70 CO 0.01 -0.84 1.23 -0.40 -0.10 0.00 0.00 175.22 175.12 2zey n ASP 71 N -2.70 1.47 -3.78 1.36 5.75 -0.44 -4.55 116.55 113.66 2zey n ASP 71 Ca 0.05 -1.16 -0.09 0.00 -0.01 0.00 0.00 54.79 53.58 2zey n ASP 71 Cb 0.57 0.44 -0.04 0.00 -1.03 0.00 0.00 41.12 41.06 2zey n ASP 71 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2zey s SER 72 N -2.60 -0.24 -0.04 -1.12 1.04 -1.26 -4.95 113.70 104.52 2zey s SER 72 Ca 0.18 -0.54 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 2zey s SER 72 Cb 0.18 0.59 -0.08 0.00 0.10 0.00 0.00 66.02 66.82 2zey s SER 72 CO 0.61 -1.09 2.05 -0.75 0.98 0.00 0.00 173.24 175.04 2zey s LYS 73 N -3.89 3.82 0.73 4.02 2.20 -1.26 -4.80 119.74 120.55 2zey s LYS 73 Ca 0.11 2.43 -0.11 0.00 -0.36 0.00 0.00 55.97 58.03 2zey s LYS 73 Cb -0.01 -4.23 0.03 0.00 -1.51 0.00 0.00 37.83 32.10 2zey s LYS 73 CO -0.01 -1.32 1.08 -1.25 -0.36 0.00 0.00 175.35 173.49 2zey s PRO 74 N 5.06 2.67 -0.14 4.03 0.04 -1.26 -4.87 135.00 140.54 2zey s PRO 74 Ca 0.92 0.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.46 2zey s PRO 74 Cb -0.40 -1.98 -0.24 0.00 0.04 0.00 0.00 34.50 31.92 2zey s PRO 74 CO 0.40 -1.21 0.39 0.00 0.04 0.00 0.00 177.00 176.62 2zey h ALA 75 N -0.79 0.28 -3.00 8.56 0.00 -1.95 -3.49 119.26 118.87 2zey h ALA 75 Ca -0.45 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.25 2zey h ALA 75 Cb 1.24 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2zey h ALA 75 CO 0.61 0.91 0.00 0.41 0.00 0.00 0.00 179.25 181.18 2zey n GLY 76 N 1.71 2.10 3.49 0.00 0.00 -1.26 -5.04 105.19 106.18 2zey n GLY 76 Ca -0.29 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.64 2zey n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2zey s THR 77 N 3.38 1.51 -0.12 2.61 -4.23 -1.26 -4.79 115.64 112.74 2zey s THR 77 Ca 0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2zey s THR 77 Cb 0.00 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 2zey s THR 77 CO 0.00 -0.07 -0.14 0.12 -0.54 0.00 0.00 174.62 173.99 2zey s PHE 78 N -3.07 2.78 -0.08 3.99 5.36 0.84 -2.40 117.98 125.40 2zey s PHE 78 Ca 0.35 -0.68 0.04 0.00 -0.96 0.00 0.00 56.93 55.68 2zey s PHE 78 Cb 0.08 -1.82 -0.02 0.00 -0.34 0.00 0.00 43.02 40.92 2zey s PHE 78 CO 0.15 -0.22 -0.18 -0.51 -1.46 0.00 0.00 175.22 173.00 2zey s ASP 79 N 0.32 3.62 -0.16 6.13 1.01 0.02 -0.22 116.67 127.40 2zey s ASP 79 Ca -0.11 -0.37 -0.03 0.00 0.71 0.00 0.00 52.55 52.75 2zey s ASP 79 Cb -0.16 -1.07 -0.02 0.00 1.01 0.00 0.00 42.92 42.68 2zey s ASP 79 CO 0.06 0.25 -0.06 0.54 0.21 0.00 0.00 175.17 176.17 2zey s VAL 80 N -0.18 3.60 -0.01 -1.27 0.11 -0.57 -0.14 120.40 121.94 2zey s VAL 80 Ca -0.02 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2zey s VAL 80 Cb -0.14 -2.57 0.01 0.00 -1.53 0.00 0.00 36.38 32.15 2zey s VAL 80 CO 0.03 0.49 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.58 2zey s VAL 81 N 0.52 0.26 -0.21 2.04 1.01 -0.38 -0.57 120.40 123.07 2zey s VAL 81 Ca -0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 2zey s VAL 81 Cb -0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2zey s VAL 81 CO 0.03 0.10 0.09 -0.69 0.00 0.00 0.00 175.10 174.63 2zey s VAL 82 N 0.24 4.83 0.05 2.92 1.01 -0.55 -0.18 120.40 128.71 2zey s VAL 82 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2zey s VAL 82 Cb -0.05 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2zey s VAL 82 CO -0.01 0.40 -0.12 0.00 0.00 0.00 0.00 175.10 175.38 2zey s GLN 83 N 0.83 0.74 0.12 2.72 -2.07 0.27 -0.67 119.66 121.60 2zey s GLN 83 Ca 0.05 -0.80 -0.25 0.00 -1.82 0.00 0.00 55.36 52.54 2zey s GLN 83 Cb -0.13 -0.68 0.07 0.00 -1.09 0.00 0.00 33.01 31.18 2zey s GLN 83 CO 0.02 0.15 0.86 1.52 -1.32 0.00 0.00 175.29 176.53 2zey s TYR 84 N -1.12 -0.26 0.13 9.60 -0.85 -0.89 -0.96 117.35 123.01 2zey s TYR 84 Ca -0.03 -0.01 -0.12 0.00 -0.52 0.00 0.00 57.07 56.39 2zey s TYR 84 Cb -0.09 0.61 -0.06 0.00 0.38 0.00 0.00 41.96 42.79 2zey s TYR 84 CO 0.01 -0.80 0.49 -1.01 -1.52 0.00 0.00 175.55 172.72 2zey s HIS 85 N -3.38 3.57 0.67 -3.49 3.76 -1.26 -1.14 115.29 114.02 2zey s HIS 85 Ca 0.08 0.92 -0.12 0.00 -0.15 0.00 0.00 55.06 55.80 2zey s HIS 85 Cb -0.02 -2.27 -0.00 0.00 1.11 0.00 0.00 32.58 31.40 2zey s HIS 85 CO -0.02 0.44 1.06 -0.51 -0.85 0.00 0.00 174.74 174.86 2zey s LEU 86 N -2.07 3.22 -1.09 0.89 1.43 0.13 -0.22 118.68 120.97 2zey s LEU 86 Ca 0.37 1.66 -0.04 0.00 -1.03 0.00 0.00 54.13 55.10 2zey s LEU 86 Cb -0.14 -4.50 0.29 0.00 0.03 0.00 0.00 46.19 41.87 2zey s LEU 86 CO 0.19 -1.38 1.65 1.17 0.23 0.00 0.00 176.35 178.22 2zey n LYS 87 N -2.87 4.71 -4.62 1.70 3.00 -1.26 -3.87 118.16 114.96 2zey n LYS 87 Ca 0.08 -4.47 -0.29 0.00 -0.00 0.00 0.00 58.31 53.63 2zey n LYS 87 Cb 0.53 -2.53 -0.08 0.00 0.00 0.00 0.00 35.03 32.95 2zey n LYS 87 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2zey s ASP 88 N -1.39 3.35 0.31 3.14 3.84 -1.26 -4.95 116.67 119.71 2zey s ASP 88 Ca 0.35 -1.67 0.04 0.00 -0.00 0.00 0.00 52.55 51.28 2zey s ASP 88 Cb 0.10 0.50 0.66 0.00 -1.38 0.00 0.00 42.92 42.80 2zey s ASP 88 CO 0.02 -0.90 1.85 0.00 -0.00 0.00 0.00 175.17 176.15 2zey h ALA 89 N 1.61 1.65 -0.01 2.11 0.00 -2.03 0.09 119.26 122.67 2zey h ALA 89 Ca -0.39 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2zey h ALA 89 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2zey h ALA 89 CO 0.64 0.11 -0.19 0.09 0.00 0.00 0.00 179.25 179.89 2zey n ASN 90 N -4.60 0.85 -4.06 0.00 5.03 -1.26 -4.95 115.26 106.27 2zey n ASN 90 Ca 0.18 -0.81 -0.41 0.00 0.87 0.00 0.00 54.58 54.41 2zey n ASN 90 Cb 0.40 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2zey n ASN 90 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2zey n ASN 91 N -0.72 -3.26 -4.59 6.41 3.02 0.02 -4.82 115.26 111.31 2zey n ASN 91 Ca 0.13 -1.25 -0.48 0.00 -0.03 0.00 0.00 54.58 52.96 2zey n ASN 91 Cb 0.32 -1.95 -0.04 0.00 -0.61 0.00 0.00 39.78 37.51 2zey n ASN 91 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2zey n THR 92 N -4.85 1.04 -3.58 3.41 -1.04 -1.26 -4.49 114.28 103.52 2zey n THR 92 Ca -0.15 -0.26 -0.37 0.00 -2.04 0.00 0.00 64.05 61.23 2zey n THR 92 Cb 0.59 -0.95 -0.08 0.00 -1.82 0.00 0.00 70.33 68.07 2zey n THR 92 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2zey s TYR 93 N -0.28 3.38 0.05 -1.42 5.04 -1.26 0.18 117.35 123.04 2zey s TYR 93 Ca 0.71 0.43 0.09 0.00 -2.44 0.00 0.00 57.07 55.85 2zey s TYR 93 Cb -0.80 -2.33 -0.03 0.00 0.35 0.00 0.00 41.96 39.15 2zey s TYR 93 CO 0.53 0.13 -0.24 0.14 -1.34 0.00 0.00 175.55 174.77 2zey s VAL 94 N 0.83 1.97 -0.04 3.14 -7.23 -0.29 -4.99 120.40 113.80 2zey s VAL 94 Ca 0.12 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 2zey s VAL 94 Cb -0.13 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.13 2zey s VAL 94 CO 0.04 0.27 -0.03 -1.10 -0.31 0.00 0.00 175.10 173.97 2zey s GLN 95 N -1.31 0.61 -0.35 4.82 -0.21 -1.26 -2.10 119.66 119.85 2zey s GLN 95 Ca 0.10 -0.03 -0.09 0.00 0.02 0.00 0.00 55.36 55.36 2zey s GLN 95 Cb -0.10 -0.68 0.03 0.00 1.00 0.00 0.00 33.01 33.26 2zey s GLN 95 CO 0.02 -0.10 0.16 -1.01 -2.12 0.00 0.00 175.29 172.25 2zey s HIS 96 N 0.94 3.24 -0.12 0.91 3.76 0.15 -4.99 115.29 119.18 2zey s HIS 96 Ca -0.11 -1.08 0.03 0.00 -0.15 0.00 0.00 55.06 53.74 2zey s HIS 96 Cb -0.14 -2.37 0.00 0.00 1.11 0.00 0.00 32.58 31.18 2zey s HIS 96 CO -0.01 -0.66 -0.21 0.42 -0.85 0.00 0.00 174.74 173.44 2zey s ILE 97 N 1.51 2.25 -0.18 0.60 1.01 -1.26 -1.48 121.20 123.64 2zey s ILE 97 Ca 0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 2zey s ILE 97 Cb -0.19 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 2zey s ILE 97 CO 0.05 0.55 0.12 -0.76 0.00 0.00 0.00 174.94 174.90 2zey s LEU 98 N 0.57 4.19 -0.13 2.97 1.43 0.27 -5.00 118.68 122.97 2zey s LEU 98 Ca -0.12 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2zey s LEU 98 Cb -0.17 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 2zey s LEU 98 CO 0.04 0.22 -0.06 0.20 0.23 0.00 0.00 176.35 176.98 2zey s ASN 99 N 0.11 4.63 -0.05 2.29 0.01 -1.26 -1.51 114.94 119.16 2zey s ASN 99 Ca 0.09 -0.14 0.06 0.00 -0.71 0.00 0.00 52.86 52.15 2zey s ASN 99 Cb -0.11 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.89 2zey s ASN 99 CO -0.01 0.20 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.20 2zey s PHE 100 N 0.14 2.17 0.00 2.20 0.08 0.69 -4.96 117.98 118.30 2zey s PHE 100 Ca -0.03 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.41 2zey s PHE 100 Cb -0.14 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 2zey s PHE 100 CO 0.03 -0.18 0.48 0.27 -0.10 0.00 0.00 175.22 175.72 2zey n ASN 101 N 2.95 0.26 -4.82 1.36 6.94 -1.26 -0.11 115.26 120.57 2zey n ASN 101 Ca -0.17 -1.12 -0.32 0.00 -0.02 0.00 0.00 54.58 52.95 2zey n ASN 101 Cb 0.52 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.92 2zey n ASN 101 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2zey s GLU 102 N -0.12 3.72 0.00 -3.83 8.01 -1.26 -4.55 118.70 120.67 2zey s GLU 102 Ca 0.00 1.07 0.17 0.00 0.01 0.00 0.00 54.97 56.23 2zey s GLU 102 Cb 0.00 -2.10 0.20 0.00 -4.31 0.00 0.00 34.13 27.93 2zey s GLU 102 CO 0.00 -0.47 1.12 0.25 0.01 0.00 0.00 175.26 176.18 2zey n THR 103 N -1.68 0.19 -4.27 3.63 -2.24 -1.26 -1.54 114.28 107.11 2zey n THR 103 Ca 0.07 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 2zey n THR 103 Cb 0.53 1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 69.87 2zey n THR 103 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2zey s ASP 104 N -1.38 4.19 -0.31 3.42 1.01 -1.26 -4.70 116.67 117.64 2zey s ASP 104 Ca 0.24 -0.51 -0.37 0.00 0.71 0.00 0.00 52.55 52.62 2zey s ASP 104 Cb 0.16 -0.71 -0.13 0.00 1.01 0.00 0.00 42.92 43.25 2zey s ASP 104 CO 0.23 0.15 2.03 0.79 0.21 0.00 0.00 175.17 178.58 2zey n TRP 105 N 0.49 1.78 -4.59 4.23 7.02 -1.26 -4.58 117.44 120.53 2zey n TRP 105 Ca -0.13 0.34 -0.27 0.00 -1.02 0.00 0.00 57.50 56.42 2zey n TRP 105 Cb 0.53 -2.51 -0.17 0.00 -2.42 0.00 0.00 31.31 26.74 2zey n TRP 105 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2zey s THR 106 N 5.87 1.42 -0.12 -0.99 2.01 -0.74 -4.94 115.64 118.16 2zey s THR 106 Ca 1.05 -0.62 -0.15 0.00 0.31 0.00 0.00 61.69 62.29 2zey s THR 106 Cb -0.93 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 2zey s THR 106 CO 0.55 0.42 0.34 -0.47 -0.69 0.00 0.00 174.62 174.78 2zey s TYR 107 N 0.80 3.53 0.06 4.92 5.04 -1.26 -1.52 117.35 128.91 2zey s TYR 107 Ca -0.11 0.72 0.03 0.00 -2.44 0.00 0.00 57.07 55.28 2zey s TYR 107 Cb -0.16 -2.36 -0.03 0.00 0.35 0.00 0.00 41.96 39.77 2zey s TYR 107 CO 0.02 0.32 -0.10 0.15 -1.34 0.00 0.00 175.55 174.60 2zey s LYS 108 N 0.16 0.68 -0.11 4.97 1.02 -0.82 -5.02 119.74 120.61 2zey s LYS 108 Ca 0.20 -0.93 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 2zey s LYS 108 Cb -0.14 -0.45 0.04 0.00 -0.52 0.00 0.00 37.83 36.76 2zey s LYS 108 CO 0.07 0.08 0.39 -1.14 -0.92 0.00 0.00 175.35 173.83 2zey s GLN 109 N -2.04 0.55 0.28 1.68 0.74 -1.26 -1.91 119.66 117.70 2zey s GLN 109 Ca -0.03 0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.75 2zey s GLN 109 Cb -0.07 0.26 -0.06 0.00 1.10 0.00 0.00 33.01 34.24 2zey s GLN 109 CO 0.00 -0.10 0.06 -0.48 -0.55 0.00 0.00 175.29 174.22 2zey s LEU 110 N -0.26 1.97 0.09 3.68 0.05 0.44 -4.98 118.68 119.68 2zey s LEU 110 Ca -0.04 -1.34 0.08 0.00 0.05 0.00 0.00 54.13 52.88 2zey s LEU 110 Cb -0.03 -0.20 -0.03 0.00 -2.05 0.00 0.00 46.19 43.87 2zey s LEU 110 CO 0.02 -0.63 -0.21 -1.48 -0.55 0.00 0.00 176.35 173.50 2zey s LEU 111 N -3.38 2.27 0.07 1.48 0.05 -1.26 -1.29 118.68 116.63 2zey s LEU 111 Ca 0.35 -0.65 -0.13 0.00 0.05 0.00 0.00 54.13 53.75 2zey s LEU 111 Cb 0.08 -0.89 0.02 0.00 -2.05 0.00 0.00 46.19 43.34 2zey s LEU 111 CO 0.13 0.08 0.30 0.72 -0.55 0.00 0.00 176.35 177.03 2zey s PHE 112 N -1.09 -0.08 -0.13 3.48 -0.12 -0.40 -5.01 117.98 114.64 2zey s PHE 112 Ca 0.06 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.79 2zey s PHE 112 Cb -0.10 0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 2zey s PHE 112 CO 0.04 -0.56 -0.17 0.99 -0.05 0.00 0.00 175.22 175.47 2zey s THR 113 N -3.11 2.61 0.62 -4.49 2.01 -1.26 -0.44 115.64 111.58 2zey s THR 113 Ca -0.01 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.03 2zey s THR 113 Cb 0.01 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2zey s THR 113 CO -0.07 0.53 1.09 0.42 -0.69 0.00 0.00 174.62 175.90 2zey s THR 114 N 0.56 3.51 1.09 -0.82 -4.23 -0.53 -4.88 115.64 110.36 2zey s THR 114 Ca -0.10 0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 60.95 2zey s THR 114 Cb -0.16 -3.24 0.25 0.00 1.34 0.00 0.00 72.50 70.69 2zey s THR 114 CO 0.04 -0.42 1.23 -2.16 -0.54 0.00 0.00 174.62 172.76 2zey s PRO 115 N -4.06 -0.39 0.53 3.99 0.04 -1.26 -2.32 135.00 131.53 2zey s PRO 115 Ca 0.66 -0.30 0.31 0.00 0.04 0.00 0.00 61.00 61.71 2zey s PRO 115 Cb -0.18 -1.71 1.33 0.00 0.04 0.00 0.00 34.50 33.98 2zey s PRO 115 CO 0.39 -3.12 1.98 0.38 0.04 0.00 0.00 177.00 176.66 2zey h ASP 116 N -2.15 0.00 -4.81 6.66 2.03 -1.96 -1.07 116.42 115.12 2zey h ASP 116 Ca -0.44 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.74 2zey h ASP 116 Cb 1.26 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.55 2zey h ASP 116 CO 0.34 0.07 -0.26 -0.69 -1.03 0.00 0.00 179.24 177.67 2zey s VAL 117 N -3.75 0.05 -0.09 4.15 1.01 -1.26 -4.74 120.40 115.76 2zey s VAL 117 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2zey s VAL 117 Cb 0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2zey s VAL 117 CO 0.56 -0.21 0.11 -0.36 0.00 0.00 0.00 175.10 175.20 2zey s PHE 118 N -1.09 3.48 -0.45 5.22 0.08 -1.26 -4.13 117.98 119.83 2zey s PHE 118 Ca -0.11 0.42 0.23 0.00 0.12 0.00 0.00 56.93 57.59 2zey s PHE 118 Cb -0.05 -1.88 0.11 0.00 -0.57 0.00 0.00 43.02 40.63 2zey s PHE 118 CO 0.04 0.66 1.11 0.41 -0.10 0.00 0.00 175.22 177.34 2zey n GLY 119 N 1.86 -1.37 3.41 4.36 0.00 0.70 -4.53 105.19 109.62 2zey n GLY 119 Ca -0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 2zey n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2zey s SER 120 N -4.60 -0.51 0.04 1.61 1.04 -1.24 -4.87 113.70 105.17 2zey s SER 120 Ca 0.02 0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.16 2zey s SER 120 Cb 0.12 0.57 -0.08 0.00 0.10 0.00 0.00 66.02 66.73 2zey s SER 120 CO 0.77 -0.91 1.73 -0.89 0.98 0.00 0.00 173.24 174.93 2zey s THR 121 N -3.48 3.09 0.48 2.02 2.01 -1.26 -4.44 115.64 114.07 2zey s THR 121 Ca -0.00 0.40 -0.22 0.00 0.31 0.00 0.00 61.69 62.18 2zey s THR 121 Cb -0.00 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 2zey s THR 121 CO -0.10 -0.01 0.87 -2.65 -0.69 0.00 0.00 174.62 172.03 2zey n PRO 122 N 6.30 1.03 -4.25 4.92 -0.02 -1.26 -4.82 135.00 136.89 2zey n PRO 122 Ca 0.17 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.85 2zey n PRO 122 Cb 0.41 -1.95 -0.15 0.00 -0.02 0.00 0.00 33.50 31.79 2zey n PRO 122 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2zey s GLN 123 N -2.12 0.65 -0.30 -0.52 0.74 -0.13 -1.02 119.66 116.95 2zey s GLN 123 Ca 0.67 -0.23 -0.12 0.00 0.05 0.00 0.00 55.36 55.73 2zey s GLN 123 Cb -0.52 -0.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.92 2zey s GLN 123 CO 0.55 0.11 0.20 -1.17 -0.55 0.00 0.00 175.29 174.43 2zey s LEU 124 N 0.07 4.17 -0.13 3.68 2.96 -0.03 -0.57 118.68 128.83 2zey s LEU 124 Ca -0.01 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.75 2zey s LEU 124 Cb -0.05 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2zey s LEU 124 CO -0.00 -0.10 -0.03 0.00 -1.32 0.00 0.00 176.35 174.90 2zey s ALA 125 N 1.75 3.09 -0.44 5.97 0.00 0.75 -1.48 121.76 131.40 2zey s ALA 125 Ca 0.07 -0.82 -0.11 0.00 0.00 0.00 0.00 51.96 51.09 2zey s ALA 125 Cb -0.16 -1.52 0.08 0.00 0.00 0.00 0.00 23.12 21.52 2zey s ALA 125 CO 0.11 0.34 0.31 -0.51 0.00 0.00 0.00 175.76 176.01 2zey s LEU 126 N -0.07 5.31 -0.27 0.00 1.43 0.19 -1.25 118.68 124.01 2zey s LEU 126 Ca 0.02 -1.44 0.02 0.00 -1.03 0.00 0.00 54.13 51.70 2zey s LEU 126 Cb -0.13 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.11 2zey s LEU 126 CO 0.02 -0.57 -0.03 0.86 0.23 0.00 0.00 176.35 176.86 2zey s TRP 127 N 1.50 2.82 -1.10 0.29 -0.11 0.80 -1.17 118.94 121.97 2zey s TRP 127 Ca 0.03 -2.15 -0.15 0.00 1.22 0.00 0.00 56.10 55.06 2zey s TRP 127 Cb -0.23 -1.96 0.18 0.00 -1.50 0.00 0.00 33.47 29.95 2zey s TRP 127 CO 0.04 -0.85 1.27 0.21 -4.62 0.00 0.00 176.95 173.00 2zey s LYS 128 N 1.25 3.94 0.45 5.86 2.20 -0.20 -0.80 119.74 132.44 2zey s LYS 128 Ca -0.01 -2.43 0.22 0.00 -0.36 0.00 0.00 55.97 53.39 2zey s LYS 128 Cb -0.19 -4.92 1.06 0.00 -1.51 0.00 0.00 37.83 32.27 2zey s LYS 128 CO -0.08 -1.67 1.91 0.78 -0.36 0.00 0.00 175.35 175.93 2zey h GLY 129 N 9.40 0.00 -4.83 5.54 0.00 -1.78 -1.77 103.07 109.63 2zey h GLY 129 Ca 0.24 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.94 2zey h GLY 129 CO 1.15 0.00 0.15 1.34 0.00 0.00 0.00 176.54 179.17 2zey n ASP 130 N -3.66 1.10 -0.29 0.19 2.03 -1.01 -4.51 116.55 110.39 2zey n ASP 130 Ca -0.01 1.16 0.03 0.00 0.52 0.00 0.00 54.79 56.48 2zey n ASP 130 Cb 0.36 -1.22 0.06 0.00 -0.72 0.00 0.00 41.12 39.60 2zey n ASP 130 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2zey n THR 131 N 0.88 0.73 -1.99 5.18 -2.24 -1.26 -3.90 114.28 111.68 2zey n THR 131 Ca 0.13 -0.86 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 2zey n THR 131 Cb 0.27 0.67 0.19 0.00 -2.10 0.00 0.00 70.33 69.36 2zey n THR 131 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2zey s SER 132 N -0.85 3.12 0.00 3.42 1.04 -1.26 -4.36 113.70 114.81 2zey s SER 132 Ca 0.10 0.18 0.25 0.00 0.48 0.00 0.00 55.95 56.96 2zey s SER 132 Cb 0.06 -0.22 1.47 0.00 0.10 0.00 0.00 66.02 67.43 2zey s SER 132 CO 0.08 -2.72 1.93 0.29 0.98 0.00 0.00 173.24 173.80 2zey n LYS 133 N -3.72 0.98 -1.95 4.02 5.02 -1.26 -1.38 118.16 119.86 2zey n LYS 133 Ca 0.16 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 2zey n LYS 133 Cb 0.59 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 2zey n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2zey s ALA 134 N -2.00 3.75 0.33 7.82 0.00 -1.26 -4.26 121.76 126.14 2zey s ALA 134 Ca 0.37 1.32 -0.23 0.00 0.00 0.00 0.00 51.96 53.42 2zey s ALA 134 Cb 0.17 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 2zey s ALA 134 CO 0.28 -0.83 0.89 -0.80 0.00 0.00 0.00 175.76 175.31 2zey s ASN 135 N 1.39 7.16 -0.16 0.00 -0.87 -1.26 -3.61 114.94 117.59 2zey s ASN 135 Ca 0.70 1.69 -0.02 0.00 -1.57 0.00 0.00 52.86 53.66 2zey s ASN 135 Cb -0.42 -2.53 -0.02 0.00 -0.02 0.00 0.00 41.25 38.26 2zey s ASN 135 CO 0.31 -0.13 -0.07 -0.22 -2.57 0.00 0.00 177.10 174.43 2zey s LEU 136 N -2.36 3.01 -0.13 0.60 1.98 -0.35 -1.33 118.68 120.10 2zey s LEU 136 Ca 0.52 -0.24 -0.05 0.00 -2.89 0.00 0.00 54.13 51.47 2zey s LEU 136 Cb -0.15 -1.72 -0.04 0.00 0.66 0.00 0.00 46.19 44.94 2zey s LEU 136 CO 0.20 0.14 0.04 -0.31 -1.89 0.00 0.00 176.35 174.53 2zey s TYR 137 N 0.54 3.25 -0.02 5.38 2.02 0.59 -0.68 117.35 128.42 2zey s TYR 137 Ca -0.05 0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.77 2zey s TYR 137 Cb -0.15 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2zey s TYR 137 CO 0.03 0.35 0.08 0.54 -1.57 0.00 0.00 175.55 174.99 2zey s VAL 138 N -0.34 0.02 0.13 0.71 0.11 -0.19 -1.60 120.40 119.24 2zey s VAL 138 Ca 0.08 -0.16 -0.19 0.00 -2.93 0.00 0.00 61.98 58.78 2zey s VAL 138 Cb -0.12 -0.18 0.05 0.00 -1.53 0.00 0.00 36.38 34.60 2zey s VAL 138 CO 0.02 -0.09 0.48 -0.62 -3.33 0.00 0.00 175.10 171.56 2zey s ASP 139 N -0.25 -0.36 -1.05 3.54 2.15 -0.77 -0.22 116.67 119.70 2zey s ASP 139 Ca -0.03 -0.18 -0.13 0.00 0.43 0.00 0.00 52.55 52.64 2zey s ASP 139 Cb -0.02 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 2zey s ASP 139 CO 0.00 -0.89 0.82 0.47 -0.17 0.00 0.00 175.17 175.40 2zey n ASP 140 N -0.25 -6.05 -4.75 -0.34 8.00 -1.04 -2.00 116.55 110.12 2zey n ASP 140 Ca -0.16 -0.81 -0.40 0.00 0.71 0.00 0.00 54.79 54.13 2zey n ASP 140 Cb 0.64 -4.14 -0.06 0.00 -0.02 0.00 0.00 41.12 37.54 2zey n ASP 140 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2zey s VAL 141 N -3.36 4.30 -0.03 2.53 1.01 -0.68 -3.93 120.40 120.24 2zey s VAL 141 Ca 0.40 1.95 0.04 0.00 0.00 0.00 0.00 61.98 64.37 2zey s VAL 141 Cb -0.11 -4.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 2zey s VAL 141 CO 0.81 0.45 -0.16 -0.31 0.00 0.00 0.00 175.10 175.89 2zey s TYR 142 N -0.79 1.56 -0.19 5.22 2.02 0.22 -4.80 117.35 120.58 2zey s TYR 142 Ca 0.41 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.66 2zey s TYR 142 Cb -0.24 -1.04 0.07 0.00 -0.40 0.00 0.00 41.96 40.34 2zey s TYR 142 CO 0.29 -0.12 0.10 -1.17 -1.57 0.00 0.00 175.55 173.08 2zey s LEU 143 N -0.05 0.37 -0.01 -1.29 2.96 -1.25 -0.57 118.68 118.83 2zey s LEU 143 Ca -0.01 -0.73 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 2zey s LEU 143 Cb -0.10 -0.24 -0.00 0.00 0.50 0.00 0.00 46.19 46.35 2zey s LEU 143 CO 0.01 -0.37 -0.07 0.68 -1.32 0.00 0.00 176.35 175.29 2zey s VAL 144 N 2.14 0.55 0.05 1.68 -7.23 -0.52 -0.55 120.40 116.52 2zey s VAL 144 Ca 0.04 -0.27 -0.31 0.00 -1.81 0.00 0.00 61.98 59.63 2zey s VAL 144 Cb -0.16 -0.48 -0.06 0.00 0.56 0.00 0.00 36.38 36.23 2zey s VAL 144 CO -0.15 0.17 1.37 -0.70 -0.31 0.00 0.00 175.10 175.48 2zey s GLU 145 N 0.01 4.32 0.00 4.82 2.12 -1.26 -0.57 118.70 128.14 2zey s GLU 145 Ca 0.00 1.97 0.07 0.00 0.36 0.00 0.00 54.97 57.38 2zey s GLU 145 Cb -0.05 -3.43 0.06 0.00 0.26 0.00 0.00 34.13 30.97 2zey s GLU 145 CO -0.00 -0.48 0.73 1.33 -0.54 0.00 0.00 175.26 176.30