#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5o s SER 2 N 0.00 -0.84 -0.07 1.61 0.15 -1.26 -5.15 113.70 108.13 1x5o s SER 2 Ca 0.00 0.33 -0.19 0.00 0.70 0.00 0.00 55.95 56.80 1x5o s SER 2 Cb 0.00 1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 65.89 1x5o s SER 2 CO 0.00 -0.16 0.52 -0.44 1.20 0.00 0.00 173.24 174.36 1x5o s SER 3 N 2.91 6.80 0.00 5.45 0.01 -1.26 -4.87 113.70 122.75 1x5o s SER 3 Ca 0.12 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1x5o s SER 3 Cb -0.09 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1x5o s SER 3 CO -0.19 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1x5o n GLY 4 N 2.88 0.47 3.38 3.44 0.00 -1.26 -5.12 105.19 108.99 1x5o n GLY 4 Ca -0.07 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1x5o n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5o n SER 5 N 0.00 -1.95 0.00 1.61 2.88 -1.26 -4.99 113.62 109.91 1x5o n SER 5 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x5o n SER 5 Cb 0.00 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1x5o n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5o n SER 6 N -2.64 1.13 -0.56 -3.46 3.41 -1.26 -5.08 113.62 105.16 1x5o n SER 6 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1x5o n SER 6 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1x5o n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5o n GLY 7 N 2.36 0.63 0.49 5.00 0.00 -1.26 -4.93 105.19 107.48 1x5o n GLY 7 Ca 0.00 -0.37 0.30 0.00 0.00 0.00 0.00 46.02 45.95 1x5o n GLY 7 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1x5o h LEU 8 N 0.00 0.00-10.16 0.99 8.10 -2.03 -3.41 115.31 108.79 1x5o h LEU 8 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 57.88 57.47 1x5o h LEU 8 Cb 0.68 0.00 0.13 0.00 -0.44 0.00 0.00 40.66 41.03 1x5o h LEU 8 CO 0.00 0.00 0.40 -0.54 -4.11 0.00 0.00 178.44 174.19 1x5o s LYS 9 N -4.77 2.52 -0.57 0.17 -0.14 -1.26 -4.94 119.74 110.76 1x5o s LYS 9 Ca -0.04 1.67 -0.28 0.00 -1.36 0.00 0.00 55.97 55.95 1x5o s LYS 9 Cb 0.20 -1.89 0.03 0.00 -1.68 0.00 0.00 37.83 34.49 1x5o s LYS 9 CO 0.68 -1.52 1.18 0.00 -0.76 0.00 0.00 175.35 174.93 1x5o s ALA 10 N -2.00 3.02 -0.37 5.17 0.00 -1.26 -4.95 121.76 121.37 1x5o s ALA 10 Ca 0.73 -0.79 -0.28 0.00 0.00 0.00 0.00 51.96 51.61 1x5o s ALA 10 Cb -0.27 -4.01 -0.07 0.00 0.00 0.00 0.00 23.12 18.77 1x5o s ALA 10 CO 0.41 -2.60 2.31 0.45 0.00 0.00 0.00 175.76 176.34 1x5o n SER 11 N 8.33 2.64 -3.25 0.00 2.88 -1.26 -4.88 113.62 118.08 1x5o n SER 11 Ca 0.09 -0.04 0.03 0.00 -1.33 0.00 0.00 58.87 57.62 1x5o n SER 11 Cb 0.49 -1.51 -0.02 0.00 -0.75 0.00 0.00 64.21 62.43 1x5o n SER 11 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x5o s GLY 12 N 9.72 -0.80 -0.55 0.46 0.00 -1.26 -5.12 107.32 109.78 1x5o s GLY 12 Ca 1.02 2.16 -0.22 0.00 0.00 0.00 0.00 44.72 47.68 1x5o s GLY 12 CO 0.34 3.39 0.83 0.14 0.00 0.00 0.00 173.10 177.80 1x5o s VAL 13 N 2.86 4.56 -0.02 1.40 1.01 -1.26 -4.91 120.40 124.04 1x5o s VAL 13 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1x5o s VAL 13 Cb -0.13 -4.47 -0.00 0.00 0.00 0.00 0.00 36.38 31.77 1x5o s VAL 13 CO -0.19 -1.05 -0.02 0.00 0.00 0.00 0.00 175.10 173.84 1x5o n GLN 14 N 7.01 0.05 -3.20 2.72 1.13 -1.26 -5.02 117.38 118.81 1x5o n GLN 14 Ca -0.02 0.24 -0.14 0.00 -1.94 0.00 0.00 57.00 55.14 1x5o n GLN 14 Cb 0.46 -0.82 0.07 0.00 0.11 0.00 0.00 30.24 30.07 1x5o n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x5o n ALA 15 N -2.45 -1.65 -0.90 -1.58 0.00 -1.26 -4.90 120.51 107.78 1x5o n ALA 15 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1x5o n ALA 15 Cb 0.03 -2.21 0.03 0.00 0.00 0.00 0.00 19.45 17.30 1x5o n ALA 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x5o n GLN 16 N -3.63 1.78 -4.08 0.00 3.00 -1.26 -4.81 117.38 108.38 1x5o n GLN 16 Ca -0.23 -1.49 -0.10 0.00 -0.01 0.00 0.00 57.00 55.17 1x5o n GLN 16 Cb 0.64 -1.60 -0.08 0.00 0.00 0.00 0.00 30.24 29.20 1x5o n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x5o s MET 17 N -1.66 1.33 -1.31 -1.09 0.23 -1.26 -4.89 119.30 110.64 1x5o s MET 17 Ca 0.31 -1.39 -0.15 0.00 -1.03 0.00 0.00 55.69 53.42 1x5o s MET 17 Cb 0.23 0.37 0.15 0.00 -1.53 0.00 0.00 34.83 34.05 1x5o s MET 17 CO -0.02 -0.50 0.37 0.00 -2.03 0.00 0.00 175.02 172.85 1x5o n ALA 18 N -0.30 -0.96 0.03 3.16 0.00 -1.26 -4.78 120.51 116.40 1x5o n ALA 18 Ca -0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1x5o n ALA 18 Cb 0.64 -1.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1x5o n ALA 18 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x5o h LYS 19 N -0.66 -0.42 -6.15 0.00 3.64 -1.90 -3.39 116.57 107.70 1x5o h LYS 19 Ca -0.43 0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.37 1x5o h LYS 19 Cb 0.99 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1x5o h LYS 19 CO 0.62 -0.28 1.29 0.00 -2.27 0.00 0.00 179.45 178.82 1x5o n GLN 20 N -4.42 1.99 -3.80 1.90 10.64 -1.26 -4.94 117.38 117.48 1x5o n GLN 20 Ca -0.05 0.66 -0.36 0.00 -1.83 0.00 0.00 57.00 55.42 1x5o n GLN 20 Cb 0.26 -2.82 -0.13 0.00 -0.86 0.00 0.00 30.24 26.69 1x5o n GLN 20 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1x5o s GLN 21 N 5.20 3.60 1.05 2.61 -2.07 -1.26 -5.00 119.66 123.79 1x5o s GLN 21 Ca 0.98 -0.51 -0.21 0.00 -1.82 0.00 0.00 55.36 53.80 1x5o s GLN 21 Cb -0.59 -3.25 -0.01 0.00 -1.09 0.00 0.00 33.01 28.06 1x5o s GLN 21 CO 0.45 -0.18 -0.59 0.39 -1.32 0.00 0.00 175.29 174.04 1x5o n GLU 22 N 4.86 -1.00 -0.76 9.60 4.71 -1.26 -4.80 120.64 131.99 1x5o n GLU 22 Ca -0.17 -0.29 -0.14 0.00 -0.01 0.00 0.00 57.16 56.55 1x5o n GLU 22 Cb 0.51 -1.38 0.06 0.00 -1.01 0.00 0.00 31.44 29.62 1x5o n GLU 22 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1x5o n GLN 23 N -0.13 1.72 -3.43 3.49 6.02 -1.26 -4.59 117.38 119.19 1x5o n GLN 23 Ca -0.00 -1.53 -0.29 0.00 -0.01 0.00 0.00 57.00 55.16 1x5o n GLN 23 Cb 0.64 -1.60 -0.07 0.00 1.02 0.00 0.00 30.24 30.22 1x5o n GLN 23 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1x5o n ASP 24 N 0.02 4.02 0.00 1.08 2.03 -1.26 -4.87 116.55 117.57 1x5o n ASP 24 Ca 0.30 -3.41 0.07 0.00 0.52 0.00 0.00 54.79 52.27 1x5o n ASP 24 Cb 0.82 -0.76 0.36 0.00 -0.72 0.00 0.00 41.12 40.81 1x5o n ASP 24 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5o n PRO 25 N 1.07 0.17 -0.55 -0.67 -0.04 -1.26 -3.71 135.00 130.00 1x5o n PRO 25 Ca 0.28 0.17 0.44 0.00 -0.04 0.00 0.00 63.50 64.35 1x5o n PRO 25 Cb 0.39 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.07 1x5o n PRO 25 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1x5o n THR 26 N -1.33 -0.16 -2.40 0.52 -2.24 -1.26 -4.35 114.28 103.06 1x5o n THR 26 Ca 0.06 1.67 -0.30 0.00 -2.27 0.00 0.00 64.05 63.22 1x5o n THR 26 Cb 0.13 -2.76 -0.01 0.00 -2.10 0.00 0.00 70.33 65.59 1x5o n THR 26 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1x5o s ASN 27 N -4.12 6.34 -0.03 3.42 -0.87 -1.24 -1.56 114.94 116.87 1x5o s ASN 27 Ca -0.06 1.20 0.01 0.00 -1.57 0.00 0.00 52.86 52.43 1x5o s ASN 27 Cb 0.29 -2.36 0.02 0.00 -0.02 0.00 0.00 41.25 39.18 1x5o s ASN 27 CO 0.84 -0.64 -0.02 -0.76 -2.57 0.00 0.00 177.10 173.94 1x5o s LEU 28 N -4.64 1.35 -0.67 0.60 1.43 -1.02 -3.63 118.68 112.10 1x5o s LEU 28 Ca 0.52 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.31 1x5o s LEU 28 Cb -0.10 -0.32 0.07 0.00 0.03 0.00 0.00 46.19 45.86 1x5o s LEU 28 CO 0.44 -0.06 0.99 -0.47 0.23 0.00 0.00 176.35 177.48 1x5o s TYR 29 N 0.82 2.64 -0.31 0.29 6.14 0.40 -3.82 117.35 123.50 1x5o s TYR 29 Ca -0.10 -0.50 -0.06 0.00 0.64 0.00 0.00 57.07 57.05 1x5o s TYR 29 Cb -0.13 -4.32 0.03 0.00 0.42 0.00 0.00 41.96 37.95 1x5o s TYR 29 CO -0.01 -1.69 0.09 0.42 0.64 0.00 0.00 175.55 175.00 1x5o s ILE 30 N 4.23 3.81 0.27 3.14 1.01 -1.16 -1.91 121.20 130.58 1x5o s ILE 30 Ca 0.23 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1x5o s ILE 30 Cb -0.16 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.25 1x5o s ILE 30 CO 0.11 -0.05 0.05 -1.54 0.00 0.00 0.00 174.94 173.51 1x5o n SER 31 N 4.83 2.52 -2.99 3.58 3.41 -0.84 -0.34 113.62 123.79 1x5o n SER 31 Ca -0.14 -2.10 -0.17 0.00 -0.26 0.00 0.00 58.87 56.21 1x5o n SER 31 Cb 0.46 0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.61 1x5o n SER 31 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x5o n ASN 32 N -1.35 -3.82 -4.79 4.04 4.13 0.81 -2.79 115.26 111.49 1x5o n ASN 32 Ca -0.08 -0.47 -0.28 0.00 1.68 0.00 0.00 54.58 55.43 1x5o n ASN 32 Cb 0.33 -4.21 -0.06 0.00 -1.54 0.00 0.00 39.78 34.30 1x5o n ASN 32 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5o s LEU 33 N -5.82 3.81 0.28 3.41 1.43 0.00 -4.63 118.68 117.16 1x5o s LEU 33 Ca 0.24 -0.07 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 1x5o s LEU 33 Cb -0.11 -2.45 -0.10 0.00 0.03 0.00 0.00 46.19 43.57 1x5o s LEU 33 CO 0.59 0.11 1.25 -2.16 0.23 0.00 0.00 176.35 176.37 1x5o s PRO 34 N -2.80 4.44 0.17 1.29 0.04 -1.26 -3.81 135.00 133.07 1x5o s PRO 34 Ca 0.30 2.05 0.13 0.00 0.04 0.00 0.00 61.00 63.53 1x5o s PRO 34 Cb -0.11 -3.14 0.67 0.00 0.04 0.00 0.00 34.50 31.96 1x5o s PRO 34 CO 0.23 -0.10 1.40 1.28 0.04 0.00 0.00 177.00 179.85 1x5o n LEU 35 N 1.46 0.32 -1.16 -3.56 4.77 -1.26 -0.38 117.00 117.20 1x5o n LEU 35 Ca 0.02 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.74 1x5o n LEU 35 Cb 0.43 -0.67 0.28 0.00 -2.33 0.00 0.00 43.42 41.13 1x5o n LEU 35 CO 0.57 -0.71 0.74 -1.20 -1.33 0.00 0.00 177.39 175.46 1x5o n SER 36 N -1.92 3.36 -4.76 -1.43 7.64 -1.26 -4.25 113.62 110.99 1x5o n SER 36 Ca -0.00 -2.00 -0.35 0.00 1.01 0.00 0.00 58.87 57.53 1x5o n SER 36 Cb 0.04 -0.41 0.03 0.00 -1.01 0.00 0.00 64.21 62.86 1x5o n SER 36 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1x5o s MET 37 N -1.18 3.02 0.01 1.43 0.00 0.49 -4.93 119.30 118.13 1x5o s MET 37 Ca 0.42 1.63 0.03 0.00 0.00 0.00 0.00 55.69 57.77 1x5o s MET 37 Cb 0.22 -1.96 -0.01 0.00 0.00 0.00 0.00 34.83 33.08 1x5o s MET 37 CO 0.29 -1.12 -0.11 0.16 0.00 0.00 0.00 175.02 174.24 1x5o s ASP 38 N -1.94 1.23 0.49 1.11 -4.77 -1.26 -4.98 116.67 106.55 1x5o s ASP 38 Ca 0.73 -0.28 0.44 0.00 -3.30 0.00 0.00 52.55 50.14 1x5o s ASP 38 Cb -0.25 -0.11 1.56 0.00 -1.09 0.00 0.00 42.92 43.03 1x5o s ASP 38 CO 0.34 0.07 1.43 -0.62 0.70 0.00 0.00 175.17 177.09 1x5o n GLU 39 N 2.49 -0.01 0.15 2.11 4.71 -1.26 0.96 120.64 129.80 1x5o n GLU 39 Ca -0.15 1.02 -0.14 0.00 -0.01 0.00 0.00 57.16 57.88 1x5o n GLU 39 Cb 0.56 -2.29 -0.08 0.00 -1.01 0.00 0.00 31.44 28.62 1x5o n GLU 39 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1x5o h GLN 40 N 0.00 -0.34 0.64 3.49 5.75 -1.99 -3.08 115.11 119.58 1x5o h GLN 40 Ca 0.86 0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 59.36 1x5o h GLN 40 Cb 3.34 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 31.96 1x5o h GLN 40 CO -0.08 -0.13 -0.45 1.49 -2.65 0.00 0.00 178.83 177.02 1x5o h GLU 41 N -0.50 -1.01 -1.87 1.69 4.57 0.19 0.27 114.58 117.92 1x5o h GLU 41 Ca -0.04 0.07 0.54 0.00 -1.18 0.00 0.00 59.36 58.76 1x5o h GLU 41 Cb 0.37 0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 29.11 1x5o h GLU 41 CO 0.06 -0.67 1.34 -0.11 -1.18 0.00 0.00 179.01 178.45 1x5o n LEU 42 N -5.57 0.01 -0.07 1.64 7.94 -1.07 0.76 117.00 120.65 1x5o n LEU 42 Ca -0.13 0.95 -0.22 0.00 -1.11 0.00 0.00 56.01 55.50 1x5o n LEU 42 Cb 0.45 -0.48 -0.12 0.00 0.53 0.00 0.00 43.42 43.80 1x5o n LEU 42 CO 0.32 -0.96 -0.88 1.21 -1.11 0.00 0.00 177.39 175.98 1x5o n GLU 43 N -3.84 0.66 -0.33 1.96 2.13 -0.72 -3.80 120.64 116.70 1x5o n GLU 43 Ca 0.42 0.34 0.27 0.00 0.66 0.00 0.00 57.16 58.85 1x5o n GLU 43 Cb 1.91 -1.67 0.57 0.00 0.27 0.00 0.00 31.44 32.53 1x5o n GLU 43 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1x5o h ASN 44 N -0.40 0.33 0.29 4.31 4.21 0.39 1.57 115.58 126.29 1x5o h ASN 44 Ca -0.46 0.07 -0.23 0.00 1.21 0.00 0.00 56.30 56.89 1x5o h ASN 44 Cb 1.74 0.02 0.01 0.00 -1.12 0.00 0.00 38.32 38.97 1x5o h ASN 44 CO -0.09 0.04 -0.97 0.00 -1.29 0.00 0.00 177.43 175.12 1x5o h MET 45 N 0.28 0.45 -0.01 0.81 -0.00 -1.40 -3.16 114.93 111.90 1x5o h MET 45 Ca 0.61 -0.49 0.00 0.00 -0.00 0.00 0.00 59.70 59.82 1x5o h MET 45 Cb 1.77 0.14 0.00 0.00 -0.00 0.00 0.00 31.60 33.51 1x5o h MET 45 CO -0.25 1.14 -0.23 1.28 -0.00 0.00 0.00 176.91 178.85 1x5o n LEU 46 N -3.76 0.87 0.39 -0.10 4.77 0.14 -4.22 117.00 115.09 1x5o n LEU 46 Ca -0.07 -0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.57 1x5o n LEU 46 Cb 0.85 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.72 1x5o n LEU 46 CO 0.52 0.16 0.40 0.11 -1.33 0.00 0.00 177.39 177.26 1x5o h LYS 47 N 1.00 -0.97 0.00 3.23 1.57 0.20 -1.53 116.57 120.07 1x5o h LYS 47 Ca 0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1x5o h LYS 47 Cb 0.47 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1x5o h LYS 47 CO 0.00 -0.65 0.00 -0.35 -0.57 0.00 0.00 179.45 177.88 1x5o n PRO 48 N -5.44 0.49 -0.12 3.15 -0.04 -1.26 -2.71 135.00 129.07 1x5o n PRO 48 Ca -0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 1x5o n PRO 48 Cb 0.40 -1.38 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1x5o n PRO 48 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x5o n PHE 49 N -0.88 0.00 -3.79 0.54 3.01 -1.11 -5.10 117.46 110.12 1x5o n PHE 49 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1x5o n PHE 49 Cb 0.04 -0.92 0.00 0.00 -0.01 0.00 0.00 39.48 38.60 1x5o n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x5o n GLY 50 N 2.23 0.72 3.60 1.37 0.00 -0.59 -5.00 105.19 107.52 1x5o n GLY 50 Ca -0.43 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1x5o n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5o s GLN 51 N -2.00 3.66 -0.21 1.61 2.00 -1.26 -4.36 119.66 119.09 1x5o s GLN 51 Ca 0.02 0.54 -0.29 0.00 -2.00 0.00 0.00 55.36 53.63 1x5o s GLN 51 Cb -0.00 -3.94 -0.01 0.00 0.80 0.00 0.00 33.01 29.86 1x5o s GLN 51 CO 0.00 -1.47 1.24 0.08 -0.50 0.00 0.00 175.29 174.64 1x5o s VAL 52 N 4.69 4.30 -0.13 1.34 1.01 -1.26 -2.94 120.40 127.41 1x5o s VAL 52 Ca 0.49 1.55 -0.13 0.00 0.00 0.00 0.00 61.98 63.88 1x5o s VAL 52 Cb -0.08 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.11 1x5o s VAL 52 CO 0.31 -0.23 0.22 0.40 0.00 0.00 0.00 175.10 175.79 1x5o h ILE 53 N 5.61 0.64 -2.76 2.22 1.08 -1.61 -3.49 117.51 119.19 1x5o h ILE 53 Ca -0.25 -1.55 -0.11 0.00 -0.39 0.00 0.00 64.86 62.56 1x5o h ILE 53 Cb 1.10 1.28 -0.21 0.00 -3.07 0.00 0.00 36.82 35.91 1x5o h ILE 53 CO 0.99 0.22 -0.18 -0.44 -0.69 0.00 0.00 178.15 178.04 1x5o s SER 54 N -5.96 -0.35 0.02 1.72 0.01 -1.22 -4.99 113.70 102.94 1x5o s SER 54 Ca -0.12 0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.62 1x5o s SER 54 Cb 0.00 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 1x5o s SER 54 CO 0.32 -0.37 -0.08 0.42 0.41 0.00 0.00 173.24 173.94 1x5o s THR 55 N -0.75 0.62 -0.03 1.44 -4.23 -1.26 -0.38 115.64 111.04 1x5o s THR 55 Ca -0.08 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.64 1x5o s THR 55 Cb -0.04 -0.59 0.01 0.00 1.34 0.00 0.00 72.50 73.22 1x5o s THR 55 CO 0.04 -0.07 0.21 -0.60 -0.54 0.00 0.00 174.62 173.65 1x5o s ARG 56 N -0.84 0.45 -0.22 3.99 3.52 0.46 -4.99 118.95 121.32 1x5o s ARG 56 Ca -0.02 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1x5o s ARG 56 Cb -0.06 0.20 0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1x5o s ARG 56 CO 0.00 -0.10 -0.13 0.42 -0.81 0.00 0.00 175.30 174.68 1x5o s ILE 57 N -0.85 1.97 0.14 4.11 -1.09 -1.26 -0.08 121.20 124.14 1x5o s ILE 57 Ca -0.09 -1.25 -0.32 0.00 -2.23 0.00 0.00 60.65 56.75 1x5o s ILE 57 Cb -0.05 -1.99 -0.12 0.00 -1.58 0.00 0.00 42.46 38.72 1x5o s ILE 57 CO 0.02 0.19 1.74 0.18 -1.23 0.00 0.00 174.94 175.83 1x5o n LEU 58 N 4.56 3.72 -4.53 2.97 4.77 -0.31 -4.90 117.00 123.29 1x5o n LEU 58 Ca -0.16 1.03 -0.24 0.00 -0.03 0.00 0.00 56.01 56.61 1x5o n LEU 58 Cb 0.46 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 39.95 1x5o n LEU 58 CO 0.22 0.03 -0.42 -0.13 -1.33 0.00 0.00 177.39 175.76 1x5o s ARG 59 N 1.87 1.91 0.55 3.23 0.52 -1.26 0.40 118.95 126.16 1x5o s ARG 59 Ca 0.80 -1.60 0.09 0.00 -0.52 0.00 0.00 55.73 54.50 1x5o s ARG 59 Cb -0.56 -1.94 0.08 0.00 0.52 0.00 0.00 34.95 33.05 1x5o s ARG 59 CO 0.37 0.35 0.76 0.34 0.02 0.00 0.00 175.30 177.14 1x5o s ASP 60 N -3.47 5.18 0.39 0.23 2.15 0.80 -4.81 116.67 117.14 1x5o s ASP 60 Ca 0.30 -0.79 0.14 0.00 0.43 0.00 0.00 52.55 52.62 1x5o s ASP 60 Cb -0.06 0.16 0.97 0.00 -0.30 0.00 0.00 42.92 43.69 1x5o s ASP 60 CO 0.16 -1.25 1.85 -1.28 -0.17 0.00 0.00 175.17 174.48 1x5o h SER 61 N 0.25 0.52 -0.16 -0.34 0.87 -2.00 0.60 113.55 113.30 1x5o h SER 61 Ca -0.31 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1x5o h SER 61 Cb 1.29 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x5o h SER 61 CO 0.42 0.22 0.00 -1.20 -0.53 0.00 0.00 176.83 175.74 1x5o n SER 62 N -4.56 2.00 -2.33 6.23 7.64 -1.26 -4.84 113.62 116.49 1x5o n SER 62 Ca 0.19 -2.19 -0.20 0.00 1.01 0.00 0.00 58.87 57.68 1x5o n SER 62 Cb 0.62 -0.47 -0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1x5o n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5o n GLY 63 N 0.28 -0.45 3.40 0.23 0.00 0.21 -4.98 105.19 103.88 1x5o n GLY 63 Ca 0.07 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1x5o n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5o s THR 64 N -3.01 3.59 0.66 2.61 2.01 -1.24 -4.74 115.64 115.53 1x5o s THR 64 Ca 0.03 -0.44 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 1x5o s THR 64 Cb -0.02 -2.60 -0.13 0.00 0.01 0.00 0.00 72.50 69.76 1x5o s THR 64 CO 0.04 0.45 -0.17 -0.24 -0.69 0.00 0.00 174.62 174.01 1x5o n SER 65 N 4.18 -3.80 -1.22 3.53 2.88 -1.26 -0.14 113.62 117.80 1x5o n SER 65 Ca -0.18 0.53 0.02 0.00 -1.33 0.00 0.00 58.87 57.91 1x5o n SER 65 Cb 0.52 -0.89 0.25 0.00 -0.75 0.00 0.00 64.21 63.34 1x5o n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x5o n ARG 66 N 1.36 2.80 -1.99 -1.46 1.74 0.16 -4.63 116.66 114.64 1x5o n ARG 66 Ca 0.06 -2.99 -0.20 0.00 -0.77 0.00 0.00 57.85 53.95 1x5o n ARG 66 Cb 0.50 -1.92 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1x5o n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x5o n GLY 67 N -0.61 0.68 2.75 -0.13 0.00 -1.25 -4.85 105.19 101.78 1x5o n GLY 67 Ca 0.29 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 1x5o n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 68 N -2.86 -0.07 0.00 1.61 1.01 -1.26 -0.13 120.40 118.70 1x5o s VAL 68 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1x5o s VAL 68 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 1x5o s VAL 68 CO 0.00 0.11 -0.13 -0.83 0.00 0.00 0.00 175.10 174.24 1x5o s GLY 69 N 1.29 0.68 -0.21 4.51 0.00 0.54 -1.16 107.32 112.98 1x5o s GLY 69 Ca -0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 44.72 43.97 1x5o s GLY 69 CO -0.03 -0.55 0.02 -1.36 0.00 0.00 0.00 173.10 171.17 1x5o s PHE 70 N -0.45 3.07 -0.06 1.90 0.08 0.88 -3.01 117.98 120.39 1x5o s PHE 70 Ca 0.04 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1x5o s PHE 70 Cb -0.06 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 1x5o s PHE 70 CO -0.00 -0.22 -0.18 0.00 -0.10 0.00 0.00 175.22 174.72 1x5o s ALA 71 N 1.03 1.66 -0.46 5.36 0.00 -1.25 -0.40 121.76 127.69 1x5o s ALA 71 Ca 0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.14 1x5o s ALA 71 Cb -0.14 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.44 1x5o s ALA 71 CO 0.02 0.24 0.37 0.50 0.00 0.00 0.00 175.76 176.89 1x5o s ARG 72 N 0.28 2.89 0.58 0.00 3.00 0.49 -2.43 118.95 123.75 1x5o s ARG 72 Ca -0.11 -1.39 -0.14 0.00 -1.00 0.00 0.00 55.73 53.09 1x5o s ARG 72 Cb -0.15 -4.05 -0.05 0.00 0.00 0.00 0.00 34.95 30.71 1x5o s ARG 72 CO 0.04 -1.02 1.02 -1.64 0.00 0.00 0.00 175.30 173.71 1x5o s MET 73 N 1.59 3.56 0.43 5.12 -1.94 -0.60 -1.56 119.30 125.89 1x5o s MET 73 Ca 0.04 0.99 0.18 0.00 -1.71 0.00 0.00 55.69 55.19 1x5o s MET 73 Cb -0.24 -2.08 1.11 0.00 2.01 0.00 0.00 34.83 35.63 1x5o s MET 73 CO 0.05 -0.60 1.86 1.05 -0.01 0.00 0.00 175.02 177.38 1x5o h GLU 74 N 0.32 0.37 0.00 2.03 4.11 -1.85 -3.46 114.58 116.10 1x5o h GLU 74 Ca -0.46 -0.02 0.16 0.00 0.07 0.00 0.00 59.36 59.11 1x5o h GLU 74 Cb 1.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1x5o h GLU 74 CO 0.60 0.24 0.53 0.45 0.07 0.00 0.00 179.01 180.90 1x5o n SER 75 N -4.49 -1.33 -0.20 3.06 2.88 -1.26 -5.04 113.62 107.24 1x5o n SER 75 Ca 0.19 -1.63 -0.10 0.00 -1.33 0.00 0.00 58.87 56.00 1x5o n SER 75 Cb 0.70 2.14 0.02 0.00 -0.75 0.00 0.00 64.21 66.31 1x5o n SER 75 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1x5o h THR 76 N 1.80 1.27 -1.00 2.46 2.02 -1.90 -2.87 112.91 114.70 1x5o h THR 76 Ca -0.21 -1.22 0.38 0.00 0.77 0.00 0.00 66.41 66.12 1x5o h THR 76 Cb 0.97 0.90 -0.17 0.00 -1.74 0.00 0.00 68.15 68.11 1x5o h THR 76 CO 0.29 0.44 0.51 -0.08 0.37 0.00 0.00 175.52 177.05 1x5o h GLU 77 N 0.93 0.10 0.12 6.66 4.81 -1.99 0.25 114.58 125.46 1x5o h GLU 77 Ca 0.15 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.19 1x5o h GLU 77 Cb 0.63 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.00 1x5o h GLU 77 CO 0.04 0.06 -0.87 0.87 -0.73 0.00 0.00 179.01 178.38 1x5o h LYS 78 N 0.10 0.26 -0.57 1.92 1.79 -1.92 -3.34 116.57 114.81 1x5o h LYS 78 Ca 0.79 -0.44 0.06 0.00 -2.18 0.00 0.00 60.65 58.88 1x5o h LYS 78 Cb 1.99 0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 32.72 1x5o h LYS 78 CO -0.73 1.21 -0.56 0.00 -1.08 0.00 0.00 179.45 178.29 1x5o h GLU 80 N -0.29 -0.11 -0.33 0.00 5.08 -1.45 0.14 114.58 117.62 1x5o h GLU 80 Ca 0.10 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 1x5o h GLU 80 Cb 0.55 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 1x5o h GLU 80 CO -0.69 -0.08 -0.28 0.00 -1.00 0.00 0.00 179.01 176.96 1x5o h ALA 81 N 1.06 -0.14 0.08 3.43 0.00 -1.29 0.17 119.26 122.58 1x5o h ALA 81 Ca 0.26 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1x5o h ALA 81 Cb 0.56 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1x5o h ALA 81 CO -0.78 -0.69 -0.30 0.28 0.00 0.00 0.00 179.25 177.76 1x5o h VAL 82 N -0.25 0.35 -0.14 0.00 2.07 -0.14 0.12 116.25 118.25 1x5o h VAL 82 Ca 0.16 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.73 1x5o h VAL 82 Cb 0.50 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1x5o h VAL 82 CO -0.47 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.34 1x5o h ILE 83 N -0.50 0.52 0.00 4.57 2.04 -0.54 1.63 117.51 125.23 1x5o h ILE 83 Ca 0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 1x5o h ILE 83 Cb 0.55 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1x5o h ILE 83 CO -0.20 0.00 -0.02 1.23 0.00 0.00 0.00 178.15 179.16 1x5o h GLY 84 N -0.23 0.00 0.00 5.37 0.00 -0.38 -2.08 103.07 105.75 1x5o h GLY 84 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1x5o h GLY 84 CO -0.28 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.68 1x5o n HIS 85 N -4.33 0.00 -0.40 5.60 8.25 0.38 -4.61 115.22 120.11 1x5o n HIS 85 Ca -0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.34 1x5o n HIS 85 Cb 0.10 -0.13 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 1x5o n HIS 85 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1x5o n PHE 86 N -2.02 -0.35 -1.02 4.41 3.01 0.54 -4.33 117.46 117.70 1x5o n PHE 86 Ca 0.00 1.19 -0.34 0.00 1.01 0.00 0.00 57.45 59.31 1x5o n PHE 86 Cb 0.00 -0.62 -0.10 0.00 -0.01 0.00 0.00 39.48 38.75 1x5o n PHE 86 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1x5o n ASN 87 N -5.22 0.31 -0.03 4.37 2.85 -0.78 0.23 115.26 116.99 1x5o n ASN 87 Ca 0.03 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 1x5o n ASN 87 Cb 0.27 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 40.63 1x5o n ASN 87 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5o n GLY 88 N 4.89 0.85 3.24 8.20 0.00 -1.14 -4.96 105.19 116.27 1x5o n GLY 88 Ca 0.45 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1x5o n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5o s LYS 89 N -3.18 1.67 -0.38 1.61 2.36 0.63 -4.91 119.74 117.55 1x5o s LYS 89 Ca 0.00 -0.81 -0.11 0.00 -2.55 0.00 0.00 55.97 52.50 1x5o s LYS 89 Cb 0.00 -1.66 0.03 0.00 -1.05 0.00 0.00 37.83 35.15 1x5o s LYS 89 CO 0.00 0.45 0.22 -0.06 1.55 0.00 0.00 175.35 177.51 1x5o s PHE 90 N -0.57 3.25 0.79 4.03 0.40 -1.26 -2.77 117.98 121.85 1x5o s PHE 90 Ca 0.08 -0.97 -0.11 0.00 -0.60 0.00 0.00 56.93 55.33 1x5o s PHE 90 Cb -0.08 -2.48 0.07 0.00 0.51 0.00 0.00 43.02 41.03 1x5o s PHE 90 CO -0.00 -0.66 1.09 0.96 0.70 0.00 0.00 175.22 177.31 1x5o s ILE 91 N 1.56 3.18 0.49 0.64 -4.36 -1.26 -5.06 121.20 116.38 1x5o s ILE 91 Ca 0.02 0.38 0.01 0.00 -0.26 0.00 0.00 60.65 60.80 1x5o s ILE 91 Cb -0.19 -3.07 0.01 0.00 1.25 0.00 0.00 42.46 40.46 1x5o s ILE 91 CO 0.07 -0.50 0.71 -0.54 0.24 0.00 0.00 174.94 174.91 1x5o s LYS 92 N -5.08 2.84 0.05 0.37 -0.14 -1.26 -4.94 119.74 111.57 1x5o s LYS 92 Ca 0.61 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 1x5o s LYS 92 Cb -0.15 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.43 1x5o s LYS 92 CO 0.55 -0.45 -0.04 0.95 -0.76 0.00 0.00 175.35 175.60 1x5o s THR 93 N -2.63 0.28 0.98 2.17 -4.23 -1.26 -5.10 115.64 105.85 1x5o s THR 93 Ca 0.52 -1.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.45 1x5o s THR 93 Cb -0.10 -1.04 0.18 0.00 1.34 0.00 0.00 72.50 72.88 1x5o s THR 93 CO 0.38 -0.76 1.09 -2.16 -0.54 0.00 0.00 174.62 172.63 1x5o s PRO 94 N -2.87 0.56 -0.29 3.99 0.04 -1.26 -4.94 135.00 130.22 1x5o s PRO 94 Ca -0.02 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.31 1x5o s PRO 94 Cb -0.00 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1x5o s PRO 94 CO -0.05 -2.66 1.66 -1.25 0.04 0.00 0.00 177.00 174.74 1x5o s PRO 95 N -4.96 3.57 0.00 0.56 0.04 -1.26 -2.88 135.00 130.08 1x5o s PRO 95 Ca 0.65 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1x5o s PRO 95 Cb -0.18 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1x5o s PRO 95 CO 0.58 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1x5o n GLY 96 N 5.04 1.81 3.74 0.56 0.00 -1.26 -5.09 105.19 109.99 1x5o n GLY 96 Ca 0.20 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1x5o n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5o s VAL 97 N -0.47 3.87 -0.34 1.61 1.01 -1.14 -4.97 120.40 119.97 1x5o s VAL 97 Ca 0.00 1.69 -0.29 0.00 0.00 0.00 0.00 61.98 63.38 1x5o s VAL 97 Cb 0.00 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 1x5o s VAL 97 CO 0.00 0.32 1.51 -0.44 0.00 0.00 0.00 175.10 176.49 1x5o s SER 98 N -0.37 6.32 0.35 3.32 0.01 -1.26 -4.83 113.70 117.24 1x5o s SER 98 Ca 0.47 1.14 -0.28 0.00 1.31 0.00 0.00 55.95 58.59 1x5o s SER 98 Cb -0.29 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.30 1x5o s SER 98 CO 0.35 -1.39 1.32 0.00 0.41 0.00 0.00 173.24 173.93 1x5o s ALA 99 N 5.49 3.47 0.97 1.44 0.00 -1.26 -4.74 121.76 127.12 1x5o s ALA 99 Ca 0.66 1.28 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 1x5o s ALA 99 Cb -0.18 -3.49 0.17 0.00 0.00 0.00 0.00 23.12 19.62 1x5o s ALA 99 CO 0.31 -0.70 1.09 -1.25 0.00 0.00 0.00 175.76 175.21 1x5o s PRO 100 N -1.88 0.69 -0.05 0.00 0.04 -1.26 -5.01 135.00 127.52 1x5o s PRO 100 Ca 0.50 0.62 0.06 0.00 0.04 0.00 0.00 61.00 62.22 1x5o s PRO 100 Cb -0.40 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 1x5o s PRO 100 CO 0.53 -2.58 0.05 2.41 0.04 0.00 0.00 177.00 177.45 1x5o n THR 101 N -4.09 0.33 -3.54 1.26 -1.04 -1.26 -5.03 114.28 100.91 1x5o n THR 101 Ca 0.06 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.05 61.55 1x5o n THR 101 Cb 0.57 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1x5o n THR 101 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x5o s GLU 102 N -2.22 3.59 1.11 -2.82 0.41 -1.26 -5.10 118.70 112.41 1x5o s GLU 102 Ca -0.03 -0.14 -0.16 0.00 -0.41 0.00 0.00 54.97 54.23 1x5o s GLU 102 Cb 0.02 -2.76 0.24 0.00 -1.78 0.00 0.00 34.13 29.86 1x5o s GLU 102 CO 0.26 0.33 1.10 -1.25 -0.49 0.00 0.00 175.26 175.21 1x5o s PRO 103 N -3.29 -0.44 -0.20 0.39 0.04 -1.26 -4.95 135.00 125.29 1x5o s PRO 103 Ca 0.41 0.22 -0.19 0.00 0.04 0.00 0.00 61.00 61.48 1x5o s PRO 103 Cb -0.11 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 1x5o s PRO 103 CO 0.28 -3.25 0.53 -0.51 0.04 0.00 0.00 177.00 174.10 1x5o s LEU 104 N -6.71 4.15 -0.43 -3.56 1.43 -1.11 -4.72 118.68 107.72 1x5o s LEU 104 Ca 0.68 0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 54.28 1x5o s LEU 104 Cb -0.14 -2.73 0.02 0.00 0.03 0.00 0.00 46.19 43.37 1x5o s LEU 104 CO 0.57 -0.18 0.63 -0.22 0.23 0.00 0.00 176.35 177.38 1x5o s LEU 105 N 1.62 4.51 -0.22 1.79 2.96 -1.12 -2.88 118.68 125.35 1x5o s LEU 105 Ca 0.25 -0.34 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1x5o s LEU 105 Cb -0.15 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 1x5o s LEU 105 CO 0.10 -0.76 -0.01 0.00 -1.32 0.00 0.00 176.35 174.36 1x5o s LYS 107 N 1.37 0.38 -0.31 0.00 -2.85 -0.80 -4.85 119.74 112.67 1x5o s LYS 107 Ca 0.05 0.58 -0.39 0.00 -1.00 0.00 0.00 55.97 55.20 1x5o s LYS 107 Cb -0.15 0.09 -0.15 0.00 -2.06 0.00 0.00 37.83 35.57 1x5o s LYS 107 CO -0.00 -0.09 1.88 1.19 0.10 0.00 0.00 175.35 178.42 1x5o n PHE 108 N 3.45 1.90 -2.11 1.78 3.72 -1.26 -0.46 117.46 124.49 1x5o n PHE 108 Ca -0.18 0.49 -0.17 0.00 -0.05 0.00 0.00 57.45 57.55 1x5o n PHE 108 Cb 0.56 -2.47 0.10 0.00 -0.94 0.00 0.00 39.48 36.74 1x5o n PHE 108 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x5o n SER 109 N 6.54 0.53 0.00 4.37 3.41 -1.24 -4.73 113.62 122.50 1x5o n SER 109 Ca 0.32 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1x5o n SER 109 Cb 0.14 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1x5o n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5o n GLY 110 N -0.24 4.05 3.77 5.00 0.00 -1.26 -4.76 105.19 111.76 1x5o n GLY 110 Ca 0.11 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 1x5o n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5o s PRO 111 N 2.54 3.81 0.06 1.61 0.04 -1.26 -4.79 135.00 137.01 1x5o s PRO 111 Ca 0.00 1.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1x5o s PRO 111 Cb 0.00 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 32.07 1x5o s PRO 111 CO 0.00 -0.51 -0.02 -1.13 0.04 0.00 0.00 177.00 175.37 1x5o n SER 112 N -0.37 0.91 -4.76 6.66 3.41 -1.26 -5.07 113.62 113.14 1x5o n SER 112 Ca 0.07 0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.47 1x5o n SER 112 Cb 0.48 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1x5o n SER 112 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5o s SER 113 N -5.74 5.54 0.00 4.04 0.15 -1.26 -5.30 113.70 111.13 1x5o s SER 113 Ca -0.02 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1x5o s SER 113 Cb 0.00 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.75 1x5o s SER 113 CO 0.03 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.35