#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbs s ILE 2 N 0.00 4.90 -0.15 0.53 1.01 -1.26 -5.01 121.20 121.22 1sbs s ILE 2 Ca 0.00 1.86 -0.15 0.00 0.00 0.00 0.00 60.65 62.35 1sbs s ILE 2 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1sbs s ILE 2 CO 0.00 0.14 0.35 -0.69 0.00 0.00 0.00 174.94 174.74 1sbs s VAL 3 N 1.25 5.27 -0.14 2.92 1.01 -1.26 -4.77 120.40 124.68 1sbs s VAL 3 Ca 0.46 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.09 1sbs s VAL 3 Cb -0.19 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1sbs s VAL 3 CO 0.22 0.37 -0.03 -0.04 0.00 0.00 0.00 175.10 175.62 1sbs s MET 4 N 0.52 3.56 0.03 2.72 1.00 -1.26 -0.97 119.30 124.90 1sbs s MET 4 Ca 0.20 -0.50 0.08 0.00 0.00 0.00 0.00 55.69 55.46 1sbs s MET 4 Cb -0.14 -2.90 -0.02 0.00 0.00 0.00 0.00 34.83 31.77 1sbs s MET 4 CO 0.06 0.32 -0.22 -1.12 0.00 0.00 0.00 175.02 174.05 1sbs s SER 5 N 0.16 2.64 0.14 3.03 0.01 0.68 -4.36 113.70 116.00 1sbs s SER 5 Ca -0.01 -0.50 0.07 0.00 1.31 0.00 0.00 55.95 56.82 1sbs s SER 5 Cb -0.14 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1sbs s SER 5 CO 0.03 0.21 -0.15 -1.10 0.41 0.00 0.00 173.24 172.63 1sbs s GLN 6 N -1.00 1.14 -0.04 12.44 -0.21 -1.26 0.10 119.66 130.83 1sbs s GLN 6 Ca 0.09 -1.34 -0.19 0.00 0.02 0.00 0.00 55.36 53.95 1sbs s GLN 6 Cb -0.09 -1.06 0.04 0.00 1.00 0.00 0.00 33.01 32.90 1sbs s GLN 6 CO 0.01 0.20 0.41 -1.12 -2.12 0.00 0.00 175.29 172.67 1sbs s SER 7 N -2.63 -0.33 0.98 5.90 0.01 -0.60 -4.59 113.70 112.44 1sbs s SER 7 Ca 0.13 0.33 -0.16 0.00 1.31 0.00 0.00 55.95 57.56 1sbs s SER 7 Cb -0.05 0.44 0.19 0.00 0.21 0.00 0.00 66.02 66.81 1sbs s SER 7 CO 0.04 -0.45 1.23 -2.16 0.41 0.00 0.00 173.24 172.32 1sbs s PRO 8 N -1.10 0.50 0.29 12.44 0.04 -1.26 -0.70 135.00 145.21 1sbs s PRO 8 Ca -0.11 -0.15 0.06 0.00 0.04 0.00 0.00 61.00 60.84 1sbs s PRO 8 Cb -0.04 -1.81 0.44 0.00 0.04 0.00 0.00 34.50 33.14 1sbs s PRO 8 CO 0.05 -2.55 1.70 0.66 0.04 0.00 0.00 177.00 176.90 1sbs h SER 9 N -1.74 0.27 -5.05 6.66 4.64 -1.82 -3.40 113.55 113.11 1sbs h SER 9 Ca -0.46 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 60.69 1sbs h SER 9 Cb 1.28 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1sbs h SER 9 CO 0.45 0.65 -0.05 -0.94 -0.87 0.00 0.00 176.83 176.07 1sbs s SER 10 N -6.88 -0.31 0.00 4.97 1.04 -1.26 -1.38 113.70 109.88 1sbs s SER 10 Ca -0.05 -0.09 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 1sbs s SER 10 Cb 0.13 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 1sbs s SER 10 CO 0.77 -0.77 0.04 -0.22 0.98 0.00 0.00 173.24 174.05 1sbs s LEU 11 N -2.35 1.92 -0.09 2.42 0.20 -0.20 -4.90 118.68 115.67 1sbs s LEU 11 Ca -0.02 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.56 1sbs s LEU 11 Cb 0.00 0.29 0.02 0.00 -0.43 0.00 0.00 46.19 46.07 1sbs s LEU 11 CO -0.07 -0.25 -0.12 0.00 -0.29 0.00 0.00 176.35 175.63 1sbs s ALA 12 N -1.04 1.42 0.04 5.97 0.00 -1.26 -0.35 121.76 126.53 1sbs s ALA 12 Ca -0.11 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1sbs s ALA 12 Cb -0.07 -0.76 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1sbs s ALA 12 CO 0.00 -0.11 0.08 0.54 0.00 0.00 0.00 175.76 176.27 1sbs s VAL 13 N 1.08 0.14 0.33 0.00 0.11 -0.51 -4.88 120.40 116.67 1sbs s VAL 13 Ca -0.06 -1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 57.84 1sbs s VAL 13 Cb -0.14 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1sbs s VAL 13 CO -0.02 -0.62 0.57 -0.94 -3.33 0.00 0.00 175.10 170.77 1sbs s SER 14 N -2.12 6.37 0.25 3.54 1.04 -1.26 -0.59 113.70 120.93 1sbs s SER 14 Ca -0.05 0.63 -0.30 0.00 0.48 0.00 0.00 55.95 56.71 1sbs s SER 14 Cb -0.01 -2.11 -0.14 0.00 0.10 0.00 0.00 66.02 63.86 1sbs s SER 14 CO -0.05 -0.27 1.16 0.52 0.98 0.00 0.00 173.24 175.58 1sbs n VAL 15 N -1.39 1.50 0.00 5.02 0.31 -1.26 -2.27 118.33 120.25 1sbs n VAL 15 Ca -0.03 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1sbs n VAL 15 Cb 0.55 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1sbs n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sbs n GLY 16 N 1.57 1.33 3.89 2.92 0.00 0.79 -4.93 105.19 110.75 1sbs n GLY 16 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1sbs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sbs s GLU 17 N -0.74 3.25 -0.02 1.61 2.02 -0.96 -4.40 118.70 119.46 1sbs s GLU 17 Ca 0.00 0.47 -0.17 0.00 0.02 0.00 0.00 54.97 55.29 1sbs s GLU 17 Cb 0.00 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 1sbs s GLU 17 CO 0.00 -0.69 0.47 0.21 0.02 0.00 0.00 175.26 175.27 1sbs s LYS 18 N -5.15 4.12 0.05 1.61 2.20 -1.25 0.06 119.74 121.38 1sbs s LYS 18 Ca 0.55 0.50 0.08 0.00 -0.36 0.00 0.00 55.97 56.73 1sbs s LYS 18 Cb -0.11 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1sbs s LYS 18 CO 0.51 0.50 -0.21 0.14 -0.36 0.00 0.00 175.35 175.93 1sbs s VAL 19 N -0.52 1.73 -0.07 4.02 -7.23 0.20 -4.97 120.40 113.54 1sbs s VAL 19 Ca 0.26 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 1sbs s VAL 19 Cb -0.17 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1sbs s VAL 19 CO 0.14 0.21 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.06 1sbs s THR 20 N -0.82 1.60 0.02 5.32 2.01 -1.26 -0.61 115.64 121.90 1sbs s THR 20 Ca 0.08 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1sbs s THR 20 Cb -0.09 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1sbs s THR 20 CO 0.02 0.46 -0.02 0.00 -0.69 0.00 0.00 174.62 174.38 1sbs s MET 21 N 0.34 0.25 0.26 4.92 0.23 -0.13 -4.80 119.30 120.37 1sbs s MET 21 Ca -0.13 -0.48 0.11 0.00 -1.03 0.00 0.00 55.69 54.16 1sbs s MET 21 Cb -0.15 0.07 -0.05 0.00 -1.53 0.00 0.00 34.83 33.17 1sbs s MET 21 CO 0.05 -0.04 -0.14 0.95 -2.03 0.00 0.00 175.02 173.82 1sbs s THR 22 N -1.13 2.80 -0.04 3.16 -4.23 0.13 -0.57 115.64 115.76 1sbs s THR 22 Ca -0.12 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.21 1sbs s THR 22 Cb -0.08 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.34 1sbs s THR 22 CO -0.01 -0.34 0.06 0.00 -0.54 0.00 0.00 174.62 173.79 1sbs s LYS 24 N 1.72 1.96 0.18 0.00 1.02 0.12 -0.72 119.74 124.02 1sbs s LYS 24 Ca -0.01 -1.05 0.09 0.00 0.02 0.00 0.00 55.97 55.02 1sbs s LYS 24 Cb -0.12 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1sbs s LYS 24 CO -0.03 0.52 -0.09 -1.54 -0.92 0.00 0.00 175.35 173.29 1sbs s SER 25 N -1.58 4.29 0.35 2.83 1.04 -0.38 -0.23 113.70 120.01 1sbs s SER 25 Ca 0.15 -0.57 0.27 0.00 0.48 0.00 0.00 55.95 56.27 1sbs s SER 25 Cb -0.10 -0.74 0.91 0.00 0.10 0.00 0.00 66.02 66.19 1sbs s SER 25 CO 0.06 0.10 1.78 0.77 0.98 0.00 0.00 173.24 176.92 1sbs h SER 26 N 2.87 0.00 -5.24 7.02 4.64 -1.39 -3.45 113.55 117.99 1sbs h SER 26 Ca -0.47 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.76 1sbs h SER 26 Cb 1.21 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 1sbs h SER 26 CO 0.55 0.00 -0.31 0.00 -0.87 0.00 0.00 176.83 176.20 1sbs s GLN 27 N -3.32 1.14 0.30 4.77 -2.07 -1.26 -4.97 119.66 114.24 1sbs s GLN 27 Ca 0.06 -1.14 -0.29 0.00 -1.82 0.00 0.00 55.36 52.17 1sbs s GLN 27 Cb 0.09 0.38 -0.13 0.00 -1.09 0.00 0.00 33.01 32.26 1sbs s GLN 27 CO 0.53 -0.42 1.28 0.45 -1.32 0.00 0.00 175.29 175.82 1sbs n SER 28 N -0.21 2.50 -0.96 12.60 2.88 -1.26 -4.68 113.62 124.48 1sbs n SER 28 Ca -0.08 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 1sbs n SER 28 Cb 0.63 -1.43 0.24 0.00 -0.75 0.00 0.00 64.21 62.90 1sbs n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sbs n LEU 29 N 1.32 2.91 -4.79 2.46 4.77 -0.04 -4.97 117.00 118.66 1sbs n LEU 29 Ca 0.08 -1.19 -0.35 0.00 -0.03 0.00 0.00 56.01 54.52 1sbs n LEU 29 Cb 0.34 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1sbs n LEU 29 CO 0.62 0.59 0.71 -0.22 -1.33 0.00 0.00 177.39 177.77 1sbs s LEU 30 N -1.62 4.06 -0.33 2.23 2.96 -1.26 -1.39 118.68 123.33 1sbs s LEU 30 Ca 0.35 1.95 -0.10 0.00 -0.22 0.00 0.00 54.13 56.12 1sbs s LEU 30 Cb 0.21 -4.30 0.01 0.00 0.50 0.00 0.00 46.19 42.61 1sbs s LEU 30 CO 0.30 -0.51 0.16 -0.31 -1.32 0.00 0.00 176.35 174.68 1sbs s TYR 31 N -1.80 3.20 0.27 5.38 1.51 -0.37 -4.94 117.35 120.60 1sbs s TYR 31 Ca 0.60 -0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1sbs s TYR 31 Cb -0.19 -2.37 0.34 0.00 -0.11 0.00 0.00 41.96 39.63 1sbs s TYR 31 CO 0.24 -0.55 1.94 1.03 -1.11 0.00 0.00 175.55 177.09 1sbs h SER 32 N 8.36 1.08 -0.69 2.29 0.87 -1.96 0.17 113.55 123.68 1sbs h SER 32 Ca -0.29 -0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.32 1sbs h SER 32 Cb 1.13 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.76 1sbs h SER 32 CO 0.63 0.77 0.36 0.77 -0.53 0.00 0.00 176.83 178.83 1sbs h SER 33 N 1.27 0.50 -0.02 6.23 4.64 -1.97 -3.10 113.55 121.10 1sbs h SER 33 Ca 0.36 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1sbs h SER 33 Cb -0.10 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1sbs h SER 33 CO -0.09 0.31 -0.20 -0.46 -0.87 0.00 0.00 176.83 175.52 1sbs n ASN 34 N -4.83 1.96 -2.40 4.97 0.23 -1.12 -4.99 115.26 109.09 1sbs n ASN 34 Ca 0.10 -1.48 -0.20 0.00 -0.53 0.00 0.00 54.58 52.47 1sbs n ASN 34 Cb 0.23 0.27 -0.01 0.00 -2.08 0.00 0.00 39.78 38.19 1sbs n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sbs n GLN 35 N 0.33 -1.75 -4.53 -3.83 1.13 0.03 -4.99 117.38 103.77 1sbs n GLN 35 Ca 0.08 0.96 -0.33 0.00 -1.94 0.00 0.00 57.00 55.77 1sbs n GLN 35 Cb 0.38 -5.62 -0.11 0.00 0.11 0.00 0.00 30.24 25.00 1sbs n GLN 35 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1sbs s MET 36 N -5.03 2.64 -0.23 -1.09 -1.94 -1.23 -4.93 119.30 107.50 1sbs s MET 36 Ca 0.00 -0.64 -0.14 0.00 -1.71 0.00 0.00 55.69 53.20 1sbs s MET 36 Cb 0.00 -2.54 -0.04 0.00 2.01 0.00 0.00 34.83 34.25 1sbs s MET 36 CO 0.00 0.63 0.32 -0.80 -0.01 0.00 0.00 175.02 175.16 1sbs s ASN 37 N -1.15 6.30 -1.26 3.03 0.01 -1.26 -1.24 114.94 119.38 1sbs s ASN 37 Ca 0.15 0.35 -0.10 0.00 -0.71 0.00 0.00 52.86 52.54 1sbs s ASN 37 Cb -0.11 -2.19 0.17 0.00 0.41 0.00 0.00 41.25 39.53 1sbs s ASN 37 CO 0.05 -0.06 1.74 -1.22 -1.51 0.00 0.00 177.10 176.10 1sbs n TYR 38 N 4.59 3.50 -3.80 2.20 4.02 -0.49 -3.27 117.16 123.91 1sbs n TYR 38 Ca -0.10 -2.95 -0.14 0.00 -0.01 0.00 0.00 57.90 54.70 1sbs n TYR 38 Cb 0.51 -2.00 -0.15 0.00 -0.02 0.00 0.00 39.34 37.68 1sbs n TYR 38 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1sbs s LEU 39 N 0.27 1.38 0.18 7.72 2.96 -1.26 -1.07 118.68 128.85 1sbs s LEU 39 Ca 0.40 0.04 0.11 0.00 -0.22 0.00 0.00 54.13 54.46 1sbs s LEU 39 Cb 0.06 -0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 1sbs s LEU 39 CO 0.01 -0.08 -0.24 0.00 -1.32 0.00 0.00 176.35 174.72 1sbs s ALA 40 N 0.69 2.42 -0.08 5.97 0.00 0.28 -0.76 121.76 130.29 1sbs s ALA 40 Ca -0.06 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.36 1sbs s ALA 40 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1sbs s ALA 40 CO -0.02 0.42 -0.23 -1.58 0.00 0.00 0.00 175.76 174.34 1sbs s TRP 41 N -1.62 2.52 0.10 0.00 0.52 0.56 -0.38 118.94 120.63 1sbs s TRP 41 Ca 0.19 -0.79 0.10 0.00 0.02 0.00 0.00 56.10 55.62 1sbs s TRP 41 Cb -0.08 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1sbs s TRP 41 CO 0.09 -0.26 -0.24 0.71 0.02 0.00 0.00 176.95 177.27 1sbs s TYR 42 N 0.00 2.38 -0.11 -1.98 1.51 0.21 -0.17 117.35 119.18 1sbs s TYR 42 Ca -0.08 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1sbs s TYR 42 Cb -0.15 -1.33 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1sbs s TYR 42 CO 0.05 0.28 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.48 1sbs s GLN 43 N -1.80 3.20 -0.35 -0.62 0.74 -0.08 -1.04 119.66 119.71 1sbs s GLN 43 Ca 0.14 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.85 1sbs s GLN 43 Cb -0.10 -2.53 0.11 0.00 1.10 0.00 0.00 33.01 31.58 1sbs s GLN 43 CO 0.06 0.27 0.10 -1.14 -0.55 0.00 0.00 175.29 174.03 1sbs s GLN 44 N 0.19 1.16 0.58 1.67 0.74 -0.25 -0.38 119.66 123.38 1sbs s GLN 44 Ca -0.09 -1.60 -0.17 0.00 0.05 0.00 0.00 55.36 53.55 1sbs s GLN 44 Cb -0.15 -2.61 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 1sbs s GLN 44 CO 0.05 -0.99 1.09 0.15 -0.55 0.00 0.00 175.29 175.04 1sbs s LYS 45 N 1.07 3.26 -0.01 1.67 1.02 -1.26 -1.31 119.74 124.19 1sbs s LYS 45 Ca 0.12 1.39 -0.36 0.00 0.02 0.00 0.00 55.97 57.13 1sbs s LYS 45 Cb -0.19 -2.01 -0.15 0.00 -0.52 0.00 0.00 37.83 34.96 1sbs s LYS 45 CO -0.14 -0.88 1.59 -2.30 -0.92 0.00 0.00 175.35 172.69 1sbs n PRO 46 N -1.77 1.58 -1.00 -1.68 -0.02 -1.26 -1.75 135.00 129.10 1sbs n PRO 46 Ca 0.10 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1sbs n PRO 46 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1sbs n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sbs n GLY 47 N 3.45 0.49 3.42 -1.23 0.00 -1.26 -5.01 105.19 105.05 1sbs n GLY 47 Ca 0.21 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1sbs n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sbs s GLN 48 N -0.27 1.56 0.62 1.61 -1.52 -0.72 -5.15 119.66 115.79 1sbs s GLN 48 Ca 0.00 -1.81 -0.08 0.00 -1.95 0.00 0.00 55.36 51.51 1sbs s GLN 48 Cb 0.00 -1.01 -0.00 0.00 -0.22 0.00 0.00 33.01 31.77 1sbs s GLN 48 CO 0.00 -0.05 0.97 -1.54 -0.25 0.00 0.00 175.29 174.42 1sbs s SER 49 N -3.44 5.76 0.64 5.90 1.04 -1.26 -4.66 113.70 117.67 1sbs s SER 49 Ca 0.31 1.00 -0.18 0.00 0.48 0.00 0.00 55.95 57.56 1sbs s SER 49 Cb 0.06 -1.99 -0.02 0.00 0.10 0.00 0.00 66.02 64.17 1sbs s SER 49 CO 0.12 -1.04 1.25 -2.65 0.98 0.00 0.00 173.24 171.90 1sbs n PRO 50 N -2.70 1.12 -4.58 4.02 -0.02 -1.26 -4.53 135.00 127.05 1sbs n PRO 50 Ca 0.05 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 1sbs n PRO 50 Cb 0.56 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 1sbs n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1sbs s LYS 51 N -3.25 1.06 -0.09 -0.52 2.20 0.48 -4.93 119.74 114.69 1sbs s LYS 51 Ca 0.81 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 1sbs s LYS 51 Cb -0.39 -1.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.86 1sbs s LYS 51 CO 0.42 0.28 1.50 -1.17 -0.36 0.00 0.00 175.35 176.01 1sbs s LEU 52 N -0.39 4.27 -0.21 5.43 2.96 -1.26 -0.90 118.68 128.56 1sbs s LEU 52 Ca 0.05 2.02 -0.16 0.00 -0.22 0.00 0.00 54.13 55.82 1sbs s LEU 52 Cb -0.05 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.00 1sbs s LEU 52 CO -0.00 -0.86 -0.20 0.18 -1.32 0.00 0.00 176.35 174.15 1sbs n LEU 53 N 6.86 1.91 -4.09 -0.68 4.77 0.76 -4.73 117.00 121.80 1sbs n LEU 53 Ca 0.16 0.41 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 1sbs n LEU 53 Cb 0.44 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 1sbs n LEU 53 CO 0.60 0.11 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.70 1sbs s ILE 54 N -2.54 0.81 0.09 -0.08 1.01 -0.86 -0.87 121.20 118.77 1sbs s ILE 54 Ca -0.30 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 1sbs s ILE 54 Cb 0.08 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 1sbs s ILE 54 CO 0.45 -0.10 0.04 -0.72 0.00 0.00 0.00 174.94 174.61 1sbs s TYR 55 N -0.89 0.63 -1.47 3.97 1.13 -0.02 -0.33 117.35 120.38 1sbs s TYR 55 Ca -0.02 -1.09 -0.07 0.00 -1.41 0.00 0.00 57.07 54.49 1sbs s TYR 55 Cb -0.07 -0.38 0.03 0.00 -1.10 0.00 0.00 41.96 40.43 1sbs s TYR 55 CO 0.01 -0.47 0.65 0.91 -2.51 0.00 0.00 175.55 174.14 1sbs n TRP 56 N -0.01 -2.03 0.00 -3.49 5.03 -0.98 -1.12 117.44 114.83 1sbs n TRP 56 Ca -0.10 0.58 0.00 0.00 3.03 0.00 0.00 57.50 61.01 1sbs n TRP 56 Cb 0.62 -4.10 0.00 0.00 -1.03 0.00 0.00 31.31 26.81 1sbs n TRP 56 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1sbs n ALA 57 N -3.76 0.00 -1.04 6.99 0.00 0.06 -4.09 120.51 118.67 1sbs n ALA 57 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1sbs n ALA 57 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1sbs n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sbs n SER 58 N 0.39 0.00 -4.67 0.00 3.41 -1.19 -3.64 113.62 107.92 1sbs n SER 58 Ca 0.00 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 1sbs n SER 58 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1sbs n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sbs s THR 59 N 0.00 5.00 0.31 6.66 2.01 -0.28 -4.66 115.64 124.68 1sbs s THR 59 Ca 0.00 1.29 -0.24 0.00 0.31 0.00 0.00 61.69 63.05 1sbs s THR 59 Cb 0.00 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 1sbs s THR 59 CO 0.00 0.11 0.89 -0.13 -0.69 0.00 0.00 174.62 174.80 1sbs s ARG 60 N 1.85 4.48 0.48 4.92 0.52 -1.26 -0.84 118.95 129.10 1sbs s ARG 60 Ca 0.31 1.21 -0.20 0.00 -0.52 0.00 0.00 55.73 56.53 1sbs s ARG 60 Cb -0.16 -2.77 -0.09 0.00 0.52 0.00 0.00 34.95 32.46 1sbs s ARG 60 CO 0.11 0.28 1.03 -2.00 0.02 0.00 0.00 175.30 174.75 1sbs s GLU 61 N -2.13 3.83 0.21 3.54 2.56 -0.05 -4.93 118.70 121.72 1sbs s GLU 61 Ca 0.50 1.34 -0.31 0.00 0.00 0.00 0.00 54.97 56.50 1sbs s GLU 61 Cb -0.17 -2.10 -0.15 0.00 2.00 0.00 0.00 34.13 33.70 1sbs s GLU 61 CO 0.22 -0.41 1.04 0.45 -0.56 0.00 0.00 175.26 176.00 1sbs n SER 62 N -0.95 0.98 0.00 -1.70 2.88 -1.26 -2.26 113.62 111.31 1sbs n SER 62 Ca 0.09 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1sbs n SER 62 Cb 0.53 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1sbs n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sbs n GLY 63 N 1.75 2.90 3.69 0.46 0.00 -1.26 -5.03 105.19 107.70 1sbs n GLY 63 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1sbs n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sbs s VAL 64 N -2.11 4.78 0.63 1.61 1.01 -0.96 -5.02 120.40 120.35 1sbs s VAL 64 Ca 0.00 2.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.83 1sbs s VAL 64 Cb 0.00 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1sbs s VAL 64 CO 0.00 0.05 1.18 -2.65 0.00 0.00 0.00 175.10 173.68 1sbs n PRO 65 N 4.68 1.05 -0.01 2.72 -0.02 -1.26 -4.90 135.00 137.26 1sbs n PRO 65 Ca 0.08 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 62.04 1sbs n PRO 65 Cb 0.49 -2.40 0.39 0.00 -0.02 0.00 0.00 33.50 31.96 1sbs n PRO 65 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1sbs n ASP 66 N -1.48 0.18 0.26 2.55 5.75 -1.26 -2.16 116.55 120.39 1sbs n ASP 66 Ca 0.15 -1.60 0.12 0.00 -0.01 0.00 0.00 54.79 53.46 1sbs n ASP 66 Cb 0.48 -0.01 0.71 0.00 -1.03 0.00 0.00 41.12 41.26 1sbs n ASP 66 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1sbs h ARG 67 N 0.23 0.00 -5.72 0.11 3.08 -1.94 -3.42 114.38 106.73 1sbs h ARG 67 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1sbs h ARG 67 Cb 0.05 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.01 1sbs h ARG 67 CO 0.00 0.12 0.02 -0.06 -1.07 0.00 0.00 179.97 178.99 1sbs s PHE 68 N -4.18 3.44 -0.06 3.04 0.08 -0.92 -0.87 117.98 118.50 1sbs s PHE 68 Ca -0.03 0.94 0.00 0.00 0.12 0.00 0.00 56.93 57.97 1sbs s PHE 68 Cb 0.13 -2.72 0.02 0.00 -0.57 0.00 0.00 43.02 39.89 1sbs s PHE 68 CO 0.59 -0.04 -0.04 0.99 -0.10 0.00 0.00 175.22 176.62 1sbs s THR 69 N 1.37 0.60 -0.01 0.64 2.01 0.07 -4.97 115.64 115.34 1sbs s THR 69 Ca 0.29 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 1sbs s THR 69 Cb -0.16 -0.66 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 1sbs s THR 69 CO 0.11 0.27 0.40 -0.83 -0.69 0.00 0.00 174.62 173.88 1sbs s GLY 70 N 1.36 2.46 0.35 4.40 0.00 -1.26 -1.02 107.32 113.62 1sbs s GLY 70 Ca -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.43 1sbs s GLY 70 CO -0.03 0.17 0.48 -1.35 0.00 0.00 0.00 173.10 172.37 1sbs s SER 71 N -0.96 0.98 0.00 1.64 1.04 0.63 -4.26 113.70 112.76 1sbs s SER 71 Ca 0.23 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1sbs s SER 71 Cb -0.16 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1sbs s SER 71 CO 0.13 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1sbs n GLY 72 N -0.58 0.70 3.50 7.32 0.00 -1.26 -1.16 105.19 113.70 1sbs n GLY 72 Ca 0.01 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 1sbs n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sbs s SER 73 N 0.00 -0.42 0.99 1.61 0.15 -0.75 -4.92 113.70 110.35 1sbs s SER 73 Ca 0.00 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1sbs s SER 73 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1sbs s SER 73 CO 0.00 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1sbs n GLY 74 N -0.30 1.06 0.15 9.45 0.00 -1.26 -2.60 105.19 111.69 1sbs n GLY 74 Ca -0.11 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1sbs n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sbs n THR 75 N 0.00 0.00 -3.91 2.61 -2.24 -1.26 -0.86 114.28 108.62 1sbs n THR 75 Ca 0.00 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 1sbs n THR 75 Cb 0.00 1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.14 1sbs n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sbs s ASP 76 N -1.40 3.03 0.21 3.42 1.01 -1.07 -1.25 116.67 120.62 1sbs s ASP 76 Ca 0.06 -0.76 0.11 0.00 0.71 0.00 0.00 52.55 52.68 1sbs s ASP 76 Cb 0.07 -0.99 -0.05 0.00 1.01 0.00 0.00 42.92 42.96 1sbs s ASP 76 CO 0.26 -0.18 -0.21 -0.36 0.21 0.00 0.00 175.17 174.88 1sbs s PHE 77 N 1.57 2.33 -0.01 4.23 0.08 0.10 -1.81 117.98 124.48 1sbs s PHE 77 Ca -0.00 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.72 1sbs s PHE 77 Cb -0.16 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.18 1sbs s PHE 77 CO -0.08 0.56 -0.03 0.99 -0.10 0.00 0.00 175.22 176.56 1sbs s THR 78 N -1.89 0.33 -0.20 0.64 2.01 -0.31 -0.85 115.64 115.36 1sbs s THR 78 Ca 0.24 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 1sbs s THR 78 Cb -0.07 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1sbs s THR 78 CO 0.12 0.12 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.89 1sbs s LEU 79 N 0.25 2.86 -0.06 4.42 2.96 0.27 -0.27 118.68 129.10 1sbs s LEU 79 Ca -0.02 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1sbs s LEU 79 Cb -0.06 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 1sbs s LEU 79 CO -0.00 0.01 -0.14 0.42 -1.32 0.00 0.00 176.35 175.32 1sbs s THR 80 N 1.28 3.09 -0.28 3.68 -4.23 -0.19 -0.96 115.64 118.03 1sbs s THR 80 Ca 0.03 -0.71 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 1sbs s THR 80 Cb -0.14 -2.22 0.03 0.00 1.34 0.00 0.00 72.50 71.51 1sbs s THR 80 CO -0.02 0.58 -0.01 -0.63 -0.54 0.00 0.00 174.62 174.00 1sbs s ILE 81 N -0.61 3.09 0.12 2.99 1.01 0.22 -0.75 121.20 127.28 1sbs s ILE 81 Ca 0.09 -1.15 -0.16 0.00 0.00 0.00 0.00 60.65 59.43 1sbs s ILE 81 Cb -0.11 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1sbs s ILE 81 CO 0.01 0.04 1.63 0.77 0.00 0.00 0.00 174.94 177.39 1sbs h SER 82 N 8.04 0.57 -2.96 3.58 4.64 -1.28 0.58 113.55 126.72 1sbs h SER 82 Ca -0.27 -0.22 -0.50 0.00 -0.47 0.00 0.00 61.79 60.33 1sbs h SER 82 Cb 1.09 -0.15 -0.41 0.00 -0.31 0.00 0.00 62.40 62.62 1sbs h SER 82 CO 0.56 0.64 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.85 1sbs s SER 83 N -5.95 2.91 0.30 4.97 0.15 -1.25 -3.84 113.70 110.98 1sbs s SER 83 Ca -0.13 -0.93 -0.29 0.00 0.70 0.00 0.00 55.95 55.30 1sbs s SER 83 Cb 0.10 -0.32 -0.10 0.00 -1.71 0.00 0.00 66.02 63.98 1sbs s SER 83 CO 0.76 -0.39 1.34 -0.69 1.20 0.00 0.00 173.24 175.47 1sbs s VAL 84 N 2.09 2.73 0.22 4.45 1.01 0.11 -4.69 120.40 126.32 1sbs s VAL 84 Ca 0.05 0.69 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1sbs s VAL 84 Cb -0.16 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1sbs s VAL 84 CO -0.21 0.15 -0.06 -1.61 0.00 0.00 0.00 175.10 173.37 1sbs s GLU 85 N -1.34 2.16 0.31 2.72 2.02 -1.26 -0.15 118.70 123.16 1sbs s GLU 85 Ca 0.52 -1.34 0.06 0.00 0.02 0.00 0.00 54.97 54.23 1sbs s GLU 85 Cb -0.40 -2.15 0.72 0.00 0.10 0.00 0.00 34.13 32.40 1sbs s GLU 85 CO 0.50 0.40 1.81 0.00 0.02 0.00 0.00 175.26 177.99 1sbs h ALA 86 N 2.46 1.69 0.00 5.21 0.00 -1.90 0.90 119.26 127.62 1sbs h ALA 86 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sbs h ALA 86 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1sbs h ALA 86 CO 0.57 -0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.21 1sbs n GLU 87 N -4.67 0.23 0.00 0.00 -0.58 -1.09 -2.21 120.64 112.32 1sbs n GLU 87 Ca 0.21 0.13 0.15 0.00 -0.42 0.00 0.00 57.16 57.23 1sbs n GLU 87 Cb 0.50 -1.50 0.74 0.00 -0.57 0.00 0.00 31.44 30.61 1sbs n GLU 87 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1sbs n ASP 88 N -1.29 0.27 -4.68 1.62 8.00 0.31 -4.83 116.55 115.94 1sbs n ASP 88 Ca 0.08 -0.60 -0.53 0.00 0.71 0.00 0.00 54.79 54.44 1sbs n ASP 88 Cb 0.13 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 1sbs n ASP 88 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1sbs n LEU 89 N -1.00 2.66 0.00 0.64 0.00 -0.94 -4.85 117.00 113.51 1sbs n LEU 89 Ca 0.17 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.23 1sbs n LEU 89 Cb 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 43.42 42.41 1sbs n LEU 89 CO 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 177.39 177.22 1sbs n ALA 90 N 5.27 0.00 -2.74 1.96 0.00 -1.14 -4.46 120.51 119.40 1sbs n ALA 90 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.32 1sbs n ALA 90 Cb 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 1sbs n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sbs s VAL 91 N -2.00 5.39 -0.21 0.00 1.01 -0.43 0.36 120.40 124.52 1sbs s VAL 91 Ca 0.00 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 1sbs s VAL 91 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1sbs s VAL 91 CO 0.00 0.46 0.05 -0.31 0.00 0.00 0.00 175.10 175.30 1sbs s TYR 92 N 0.16 3.14 -0.02 5.22 1.51 0.57 -1.09 117.35 126.84 1sbs s TYR 92 Ca 0.11 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1sbs s TYR 92 Cb -0.12 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1sbs s TYR 92 CO 0.01 -0.11 -0.17 0.71 -1.11 0.00 0.00 175.55 174.87 1sbs s TYR 93 N 0.95 2.60 0.25 2.71 2.02 -0.21 -1.03 117.35 124.63 1sbs s TYR 93 Ca 0.03 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.56 1sbs s TYR 93 Cb -0.14 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 1sbs s TYR 93 CO 0.03 0.17 0.25 0.00 -1.57 0.00 0.00 175.55 174.42 1sbs s GLN 95 N -3.88 0.35 0.13 0.00 0.74 0.49 -1.24 119.66 116.24 1sbs s GLN 95 Ca 0.33 0.62 -0.11 0.00 0.05 0.00 0.00 55.36 56.25 1sbs s GLN 95 Cb -0.08 0.02 -0.06 0.00 1.10 0.00 0.00 33.01 33.99 1sbs s GLN 95 CO 0.26 -0.12 0.48 1.14 -0.55 0.00 0.00 175.29 176.50 1sbs s GLN 96 N 0.97 3.85 -0.08 1.67 1.03 -0.46 -0.56 119.66 126.08 1sbs s GLN 96 Ca -0.06 0.31 0.22 0.00 0.04 0.00 0.00 55.36 55.87 1sbs s GLN 96 Cb -0.07 -2.92 0.44 0.00 0.03 0.00 0.00 33.01 30.48 1sbs s GLN 96 CO -0.07 0.49 1.17 2.48 -2.54 0.00 0.00 175.29 176.82 1sbs n TYR 97 N 0.71 0.24 -0.08 9.60 4.11 -0.23 -3.22 117.16 128.28 1sbs n TYR 97 Ca -0.06 -0.94 -0.13 0.00 -0.00 0.00 0.00 57.90 56.77 1sbs n TYR 97 Cb 0.52 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.34 39.66 1sbs n TYR 97 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 1sbs h HIS 98 N 1.22 1.05 -3.87 -3.48 2.76 -1.86 -3.46 115.15 107.51 1sbs h HIS 98 Ca -0.16 -0.34 -0.14 0.00 -2.20 0.00 0.00 60.37 57.53 1sbs h HIS 98 Cb 1.64 -0.21 -0.19 0.00 1.55 0.00 0.00 27.41 30.21 1sbs h HIS 98 CO 0.35 1.16 -0.59 -1.12 -1.30 0.00 0.00 177.93 176.43 1sbs s SER 99 N -6.90 0.22 0.34 3.26 0.01 -1.26 -5.10 113.70 104.27 1sbs s SER 99 Ca -0.10 -0.54 -0.18 0.00 1.31 0.00 0.00 55.95 56.44 1sbs s SER 99 Cb 0.11 0.19 -0.09 0.00 0.21 0.00 0.00 66.02 66.43 1sbs s SER 99 CO 0.88 -0.45 0.80 -0.31 0.41 0.00 0.00 173.24 174.57 1sbs s TYR 100 N -2.32 3.41 0.46 2.43 2.02 -1.26 -3.51 117.35 118.57 1sbs s TYR 100 Ca -0.08 1.37 -0.22 0.00 -0.37 0.00 0.00 57.07 57.78 1sbs s TYR 100 Cb -0.03 -2.65 -0.08 0.00 -0.40 0.00 0.00 41.96 38.80 1sbs s TYR 100 CO -0.04 0.08 1.07 -1.25 -1.57 0.00 0.00 175.55 173.84 1sbs s PRO 101 N -2.85 3.89 0.22 -1.71 0.04 -1.26 -4.95 135.00 128.38 1sbs s PRO 101 Ca 0.55 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 1sbs s PRO 101 Cb -0.11 -2.30 -0.10 0.00 0.04 0.00 0.00 34.50 32.04 1sbs s PRO 101 CO 0.17 -0.38 1.40 -0.06 0.04 0.00 0.00 177.00 178.17 1sbs s PHE 102 N -1.78 3.11 0.08 0.56 0.08 -1.23 -4.71 117.98 114.10 1sbs s PHE 102 Ca 0.64 1.06 0.05 0.00 0.12 0.00 0.00 56.93 58.80 1sbs s PHE 102 Cb -0.21 -3.75 -0.03 0.00 -0.57 0.00 0.00 43.02 38.46 1sbs s PHE 102 CO 0.25 -2.44 -0.14 0.95 -0.10 0.00 0.00 175.22 173.74 1sbs s THR 103 N 0.15 1.16 0.17 0.64 -4.23 -1.20 -5.01 115.64 107.33 1sbs s THR 103 Ca 0.59 -1.42 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1sbs s THR 103 Cb -0.40 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 1sbs s THR 103 CO 0.40 -0.28 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.80 1sbs s PHE 104 N -1.52 2.77 0.90 3.99 0.40 -1.26 -1.36 117.98 121.89 1sbs s PHE 104 Ca 0.01 -0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 1sbs s PHE 104 Cb -0.08 -1.35 0.14 0.00 0.51 0.00 0.00 43.02 42.23 1sbs s PHE 104 CO 0.02 0.51 1.22 0.20 0.70 0.00 0.00 175.22 177.87 1sbs s GLY 105 N -2.83 1.65 0.00 4.36 0.00 -0.37 -4.56 107.32 105.58 1sbs s GLY 105 Ca 0.26 -0.83 0.28 0.00 0.00 0.00 0.00 44.72 44.43 1sbs s GLY 105 CO 0.17 -0.22 1.77 -1.14 0.00 0.00 0.00 173.10 173.69 1sbs n SER 106 N -3.62 0.54 0.00 1.64 3.41 -1.26 -4.70 113.62 109.63 1sbs n SER 106 Ca 0.10 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1sbs n SER 106 Cb 0.60 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1sbs n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sbs n GLY 107 N 1.32 0.79 3.16 5.00 0.00 -1.26 -4.99 105.19 109.21 1sbs n GLY 107 Ca 0.13 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 1sbs n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sbs s THR 108 N -2.41 2.54 -0.25 2.61 2.01 -0.20 -4.64 115.64 115.30 1sbs s THR 108 Ca 0.00 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.65 1sbs s THR 108 Cb 0.00 -2.27 -0.00 0.00 0.01 0.00 0.00 72.50 70.23 1sbs s THR 108 CO 0.00 0.25 0.82 -0.75 -0.69 0.00 0.00 174.62 174.25 1sbs s LYS 109 N 1.28 4.15 -0.25 4.92 2.20 -0.48 -0.31 119.74 131.24 1sbs s LYS 109 Ca -0.00 0.88 -0.15 0.00 -0.36 0.00 0.00 55.97 56.33 1sbs s LYS 109 Cb -0.16 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1sbs s LYS 109 CO -0.07 -0.54 0.37 -1.17 -0.36 0.00 0.00 175.35 173.58 1sbs s LEU 110 N 2.86 4.07 0.17 5.43 0.20 0.16 -1.04 118.68 130.53 1sbs s LEU 110 Ca 0.34 0.34 0.08 0.00 0.69 0.00 0.00 54.13 55.58 1sbs s LEU 110 Cb -0.15 -2.43 -0.04 0.00 -0.43 0.00 0.00 46.19 43.14 1sbs s LEU 110 CO 0.08 -0.14 -0.03 -1.61 -0.29 0.00 0.00 176.35 174.36 1sbs s GLU 111 N 1.81 2.30 -0.16 1.98 2.02 0.52 -2.88 118.70 124.29 1sbs s GLU 111 Ca 0.16 -1.14 -0.01 0.00 0.02 0.00 0.00 54.97 54.00 1sbs s GLU 111 Cb -0.15 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.76 1sbs s GLU 111 CO 0.09 0.45 -0.11 0.42 0.02 0.00 0.00 175.26 176.13 1sbs s ILE 112 N -1.68 3.07 0.14 -1.63 -1.09 -1.26 -1.42 121.20 117.33 1sbs s ILE 112 Ca 0.26 -0.64 -0.20 0.00 -2.23 0.00 0.00 60.65 57.85 1sbs s ILE 112 Cb -0.09 -2.32 -0.07 0.00 -1.58 0.00 0.00 42.46 38.39 1sbs s ILE 112 CO 0.17 0.50 0.65 -0.54 -1.23 0.00 0.00 174.94 174.49 1sbs s LYS 113 N 0.70 4.27 0.36 2.79 1.02 0.24 -4.88 119.74 124.24 1sbs s LYS 113 Ca -0.05 0.83 -0.06 0.00 0.02 0.00 0.00 55.97 56.71 1sbs s LYS 113 Cb -0.15 -3.12 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 1sbs s LYS 113 CO 0.02 0.55 0.56 -0.98 -0.92 0.00 0.00 175.35 174.58 1sbs s ARG 114 N -1.43 2.02 0.50 1.68 1.70 -1.26 -4.09 118.95 118.07 1sbs s ARG 114 Ca 0.35 -1.69 -0.22 0.00 -0.47 0.00 0.00 55.73 53.70 1sbs s ARG 114 Cb -0.19 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 1sbs s ARG 114 CO 0.21 -0.87 1.18 0.00 -1.08 0.00 0.00 175.30 174.74 1sbs s ALA 115 N -2.81 2.85 0.45 7.88 0.00 -1.26 -4.94 121.76 123.93 1sbs s ALA 115 Ca 0.27 0.95 -0.24 0.00 0.00 0.00 0.00 51.96 52.93 1sbs s ALA 115 Cb -0.02 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1sbs s ALA 115 CO 0.18 -0.79 1.18 -0.25 0.00 0.00 0.00 175.76 176.08 1sbs n ASP 116 N -0.83 2.04 -3.80 0.00 8.00 -1.26 -4.75 116.55 115.94 1sbs n ASP 116 Ca 0.09 1.05 -0.13 0.00 0.71 0.00 0.00 54.79 56.51 1sbs n ASP 116 Cb 0.49 -1.45 -0.15 0.00 -0.02 0.00 0.00 41.12 39.99 1sbs n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sbs s ALA 117 N -1.25 -0.08 0.36 2.24 0.00 0.80 -4.90 121.76 118.93 1sbs s ALA 117 Ca 0.64 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.68 1sbs s ALA 117 Cb -0.51 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.29 1sbs s ALA 117 CO 0.56 -0.08 0.91 0.00 0.00 0.00 0.00 175.76 177.15 1sbs s ALA 118 N 0.64 3.16 0.74 0.00 0.00 -1.26 -1.33 121.76 123.72 1sbs s ALA 118 Ca -0.05 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 1sbs s ALA 118 Cb -0.07 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.98 1sbs s ALA 118 CO -0.02 0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.76 1sbs s PRO 119 N -2.61 2.47 -0.33 0.00 0.04 -1.26 -4.52 135.00 128.79 1sbs s PRO 119 Ca 0.55 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 1sbs s PRO 119 Cb -0.14 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1sbs s PRO 119 CO 0.18 -1.48 0.18 0.99 0.04 0.00 0.00 177.00 176.92 1sbs s THR 120 N -2.86 4.72 -0.12 1.26 2.01 -0.23 -4.85 115.64 115.58 1sbs s THR 120 Ca 0.61 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 1sbs s THR 120 Cb -0.17 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1sbs s THR 120 CO 0.54 -0.02 0.06 -0.69 -0.69 0.00 0.00 174.62 173.81 1sbs s VAL 121 N 1.62 4.77 -0.02 3.82 1.01 -1.26 -1.00 120.40 129.34 1sbs s VAL 121 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1sbs s VAL 121 Cb -0.18 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.16 1sbs s VAL 121 CO 0.07 0.58 -0.00 -0.44 0.00 0.00 0.00 175.10 175.30 1sbs s SER 122 N -0.63 0.39 0.00 3.32 0.01 -0.80 -4.97 113.70 111.02 1sbs s SER 122 Ca 0.11 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.42 1sbs s SER 122 Cb -0.12 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 1sbs s SER 122 CO 0.02 -0.08 -0.23 -0.51 0.41 0.00 0.00 173.24 172.86 1sbs s ILE 123 N 0.82 2.35 -0.06 1.44 2.07 -1.26 -1.33 121.20 125.23 1sbs s ILE 123 Ca -0.08 -1.13 0.02 0.00 -1.41 0.00 0.00 60.65 58.05 1sbs s ILE 123 Cb -0.11 -1.89 0.02 0.00 0.13 0.00 0.00 42.46 40.60 1sbs s ILE 123 CO -0.01 0.49 -0.10 -0.36 -1.91 0.00 0.00 174.94 173.04 1sbs s PHE 124 N -0.73 1.30 0.86 3.50 0.40 0.59 -5.01 117.98 118.89 1sbs s PHE 124 Ca 0.11 -0.46 -0.11 0.00 -0.60 0.00 0.00 56.93 55.87 1sbs s PHE 124 Cb -0.10 -0.98 0.11 0.00 0.51 0.00 0.00 43.02 42.56 1sbs s PHE 124 CO 0.01 -0.26 1.09 -2.14 0.70 0.00 0.00 175.22 174.63 1sbs s PRO 125 N 0.72 1.57 0.45 0.24 0.02 -1.26 -1.81 135.00 134.92 1sbs s PRO 125 Ca -0.14 1.04 -0.24 0.00 0.02 0.00 0.00 61.00 61.68 1sbs s PRO 125 Cb -0.15 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 1sbs s PRO 125 CO 0.03 -2.09 1.18 -2.30 -0.33 0.00 0.00 177.00 173.49 1sbs n PRO 126 N -3.81 1.65 -1.75 5.54 -0.02 -1.24 -4.74 135.00 130.63 1sbs n PRO 126 Ca 0.08 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1sbs n PRO 126 Cb 0.54 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 1sbs n PRO 126 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1sbs n SER 127 N 0.11 3.64 0.06 2.55 2.88 -1.26 -4.90 113.62 116.68 1sbs n SER 127 Ca 0.08 1.20 -0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1sbs n SER 127 Cb 0.40 -1.59 0.29 0.00 -0.75 0.00 0.00 64.21 62.56 1sbs n SER 127 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1sbs h SER 128 N 3.38 0.37 -0.35 -3.46 4.64 -1.99 -1.98 113.55 114.16 1sbs h SER 128 Ca -0.49 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 60.68 1sbs h SER 128 Cb 1.24 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1sbs h SER 128 CO 0.68 0.56 0.06 -0.33 -0.87 0.00 0.00 176.83 176.93 1sbs h GLU 129 N 0.35 0.66 -0.37 4.77 5.08 -1.99 -1.89 114.58 121.18 1sbs h GLU 129 Ca 0.06 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1sbs h GLU 129 Cb 0.51 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1sbs h GLU 129 CO 0.03 0.64 -0.01 0.37 -1.00 0.00 0.00 179.01 179.05 1sbs h GLN 130 N 0.64 0.59 -0.00 2.33 4.15 -1.68 -2.22 115.11 118.92 1sbs h GLN 130 Ca 0.14 -0.14 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1sbs h GLN 130 Cb 0.31 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1sbs h GLN 130 CO 0.00 0.62 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.30 1sbs h LEU 131 N 0.56 0.00 -2.60 -2.39 3.38 -0.88 -0.82 115.31 112.57 1sbs h LEU 131 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sbs h LEU 131 Cb 0.37 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1sbs h LEU 131 CO 0.01 0.16 -0.01 0.71 0.09 0.00 0.00 178.44 179.40 1sbs h THR 132 N 0.00 0.23 -0.02 0.22 1.35 -1.18 0.21 112.91 113.73 1sbs h THR 132 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1sbs h THR 132 Cb 0.27 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1sbs h THR 132 CO 0.02 0.01 -0.12 -1.54 -0.25 0.00 0.00 175.52 173.64 1sbs n SER 133 N -3.39 1.88 0.00 5.36 3.41 -0.32 -4.96 113.62 115.60 1sbs n SER 133 Ca -0.03 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1sbs n SER 133 Cb 0.11 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1sbs n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sbs n GLY 134 N 1.29 0.73 3.66 5.00 0.00 0.06 -5.06 105.19 110.88 1sbs n GLY 134 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1sbs n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sbs s GLY 135 N -1.44 1.77 -0.26 -0.02 0.00 -1.20 -1.98 107.32 104.19 1sbs s GLY 135 Ca 0.00 -1.30 -0.03 0.00 0.00 0.00 0.00 44.72 43.39 1sbs s GLY 135 CO 0.00 -1.31 0.09 0.00 0.00 0.00 0.00 173.10 171.88 1sbs s ALA 136 N -1.60 1.01 -0.35 3.20 0.00 0.20 -3.51 121.76 120.72 1sbs s ALA 136 Ca 0.27 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1sbs s ALA 136 Cb -0.10 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.66 1sbs s ALA 136 CO 0.18 -1.47 0.21 -1.12 0.00 0.00 0.00 175.76 173.56 1sbs s SER 137 N 1.88 5.78 -0.15 0.00 0.01 -1.26 -0.83 113.70 119.12 1sbs s SER 137 Ca 0.06 -0.72 -0.22 0.00 1.31 0.00 0.00 55.95 56.38 1sbs s SER 137 Cb -0.17 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 1sbs s SER 137 CO -0.22 -0.30 0.66 -0.69 0.41 0.00 0.00 173.24 173.09 1sbs s VAL 138 N 1.62 5.02 -0.02 3.43 1.01 0.90 -3.67 120.40 128.70 1sbs s VAL 138 Ca 0.04 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.35 1sbs s VAL 138 Cb -0.18 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1sbs s VAL 138 CO 0.08 0.15 -0.15 -0.69 0.00 0.00 0.00 175.10 174.49 1sbs s VAL 139 N 1.55 3.03 -0.05 2.92 1.01 -0.75 -1.08 120.40 127.04 1sbs s VAL 139 Ca 0.32 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1sbs s VAL 139 Cb -0.16 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.01 1sbs s VAL 139 CO 0.12 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.64 1sbs s PHE 141 N 0.60 3.06 -0.36 0.00 0.08 -0.44 0.38 117.98 121.31 1sbs s PHE 141 Ca -0.10 -0.14 0.04 0.00 0.12 0.00 0.00 56.93 56.85 1sbs s PHE 141 Cb -0.13 -1.92 0.10 0.00 -0.57 0.00 0.00 43.02 40.51 1sbs s PHE 141 CO 0.02 0.11 0.07 -0.51 -0.10 0.00 0.00 175.22 174.81 1sbs s LEU 142 N 0.02 4.61 -0.05 -0.37 1.02 0.13 -1.90 118.68 122.14 1sbs s LEU 142 Ca 0.01 -2.22 -0.01 0.00 0.02 0.00 0.00 54.13 51.93 1sbs s LEU 142 Cb -0.13 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 1sbs s LEU 142 CO 0.02 -0.37 0.04 0.20 0.02 0.00 0.00 176.35 176.27 1sbs s ASN 143 N 0.82 5.47 -0.98 2.29 0.02 -0.17 0.01 114.94 122.40 1sbs s ASN 143 Ca 0.12 0.15 -0.10 0.00 -1.02 0.00 0.00 52.86 52.01 1sbs s ASN 143 Cb -0.20 -1.56 -0.02 0.00 0.02 0.00 0.00 41.25 39.50 1sbs s ASN 143 CO -0.08 0.33 0.78 0.59 0.02 0.00 0.00 177.10 178.74 1sbs n ASN 144 N 1.67 -6.21 -4.63 -1.22 3.02 -0.82 -1.06 115.26 106.00 1sbs n ASN 144 Ca -0.16 -0.70 -0.29 0.00 -0.03 0.00 0.00 54.58 53.39 1sbs n ASN 144 Cb 0.53 -4.09 -0.09 0.00 -0.61 0.00 0.00 39.78 35.52 1sbs n ASN 144 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1sbs s PHE 145 N -3.27 2.17 -0.28 3.10 -0.12 0.20 -4.50 117.98 115.27 1sbs s PHE 145 Ca 0.30 -0.85 -0.25 0.00 -0.05 0.00 0.00 56.93 56.09 1sbs s PHE 145 Cb -0.08 -1.63 0.12 0.00 -0.63 0.00 0.00 43.02 40.79 1sbs s PHE 145 CO 0.81 0.28 1.01 -0.47 -0.05 0.00 0.00 175.22 176.80 1sbs s TYR 146 N -2.86 -0.50 0.75 3.49 6.14 -0.44 -1.06 117.35 122.88 1sbs s TYR 146 Ca 0.23 1.20 -0.13 0.00 0.64 0.00 0.00 57.07 59.01 1sbs s TYR 146 Cb 0.06 0.36 0.18 0.00 0.42 0.00 0.00 41.96 42.98 1sbs s TYR 146 CO 0.12 -0.24 0.91 -0.35 0.64 0.00 0.00 175.55 176.63 1sbs n PRO 147 N 2.30 -1.36 -0.26 4.97 -0.04 -1.26 -0.14 135.00 139.20 1sbs n PRO 147 Ca -0.13 -1.42 -0.07 0.00 -0.04 0.00 0.00 63.50 61.84 1sbs n PRO 147 Cb 0.56 -1.04 0.05 0.00 -0.04 0.00 0.00 33.50 33.03 1sbs n PRO 147 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1sbs h LYS 148 N 0.00 1.13 -6.36 0.54 3.64 -1.98 -3.39 116.57 110.15 1sbs h LYS 148 Ca -0.31 -0.24 -0.56 0.00 -1.27 0.00 0.00 60.65 58.28 1sbs h LYS 148 Cb 0.87 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 32.43 1sbs h LYS 148 CO 0.21 0.96 0.92 0.16 -2.27 0.00 0.00 179.45 179.43 1sbs s ASP 149 N -6.36 6.33 0.18 4.20 -4.77 -1.26 -4.95 116.67 110.05 1sbs s ASP 149 Ca -0.12 -0.18 0.10 0.00 -3.30 0.00 0.00 52.55 49.05 1sbs s ASP 149 Cb 0.15 -2.53 -0.04 0.00 -1.09 0.00 0.00 42.92 39.40 1sbs s ASP 149 CO 0.84 -1.55 -0.20 -0.51 0.70 0.00 0.00 175.17 174.45 1sbs s ILE 150 N 5.00 2.03 -0.17 2.11 2.07 -1.26 -4.90 121.20 126.08 1sbs s ILE 150 Ca 0.38 -1.99 -0.02 0.00 -1.41 0.00 0.00 60.65 57.60 1sbs s ILE 150 Cb -0.09 -1.97 -0.02 0.00 0.13 0.00 0.00 42.46 40.52 1sbs s ILE 150 CO 0.21 -0.26 -0.07 0.20 -1.91 0.00 0.00 174.94 173.10 1sbs s ASN 151 N -2.73 4.31 -0.17 4.50 0.02 0.22 -4.99 114.94 116.10 1sbs s ASN 151 Ca 0.18 -0.30 -0.04 0.00 -1.02 0.00 0.00 52.86 51.68 1sbs s ASN 151 Cb -0.06 -1.70 -0.03 0.00 0.02 0.00 0.00 41.25 39.48 1sbs s ASN 151 CO 0.08 0.10 -0.02 -0.69 0.02 0.00 0.00 177.10 176.58 1sbs s VAL 152 N 0.78 3.95 -0.08 1.60 1.01 -1.26 -0.61 120.40 125.79 1sbs s VAL 152 Ca -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1sbs s VAL 152 Cb -0.15 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1sbs s VAL 152 CO 0.02 0.48 -0.18 -0.75 0.00 0.00 0.00 175.10 174.66 1sbs s LYS 153 N 0.51 2.29 -0.07 2.72 2.20 0.51 -4.97 119.74 122.93 1sbs s LYS 153 Ca -0.02 -0.63 -0.11 0.00 -0.36 0.00 0.00 55.97 54.84 1sbs s LYS 153 Cb -0.14 -1.80 -0.05 0.00 -1.51 0.00 0.00 37.83 34.33 1sbs s LYS 153 CO 0.02 0.11 0.28 -1.58 -0.36 0.00 0.00 175.35 173.83 1sbs s TRP 154 N 0.47 3.64 -0.03 4.03 0.52 -1.26 -0.68 118.94 125.63 1sbs s TRP 154 Ca -0.15 0.74 0.04 0.00 0.02 0.00 0.00 56.10 56.75 1sbs s TRP 154 Cb -0.16 -2.15 -0.00 0.00 -1.15 0.00 0.00 33.47 30.00 1sbs s TRP 154 CO 0.06 0.63 -0.15 0.15 0.02 0.00 0.00 176.95 177.66 1sbs s LYS 155 N -0.84 1.43 -0.18 4.98 1.02 -0.22 -0.18 119.74 125.75 1sbs s LYS 155 Ca 0.19 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.65 1sbs s LYS 155 Cb -0.14 -1.30 0.01 0.00 -0.52 0.00 0.00 37.83 35.87 1sbs s LYS 155 CO 0.08 0.25 -0.15 0.42 -0.92 0.00 0.00 175.35 175.02 1sbs s ILE 156 N -0.07 2.51 -0.80 2.17 1.01 0.12 -1.28 121.20 124.87 1sbs s ILE 156 Ca -0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1sbs s ILE 156 Cb -0.09 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1sbs s ILE 156 CO 0.01 0.51 0.72 0.47 0.00 0.00 0.00 174.94 176.65 1sbs n ASP 157 N 4.45 -7.32 -3.15 3.58 8.00 0.29 -2.86 116.55 119.54 1sbs n ASP 157 Ca -0.20 -0.26 -0.00 0.00 0.71 0.00 0.00 54.79 55.04 1sbs n ASP 157 Cb 0.51 -4.89 -0.00 0.00 -0.02 0.00 0.00 41.12 36.71 1sbs n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sbs n GLY 158 N -1.70 -0.25 2.02 0.44 0.00 -1.26 -3.44 105.19 101.01 1sbs n GLY 158 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1sbs n GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sbs n SER 159 N 1.42 -3.10 -4.36 1.61 7.64 -1.26 -4.98 113.62 110.58 1sbs n SER 159 Ca -0.00 0.02 -0.45 0.00 1.01 0.00 0.00 58.87 59.45 1sbs n SER 159 Cb 0.42 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 1sbs n SER 159 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1sbs s GLU 160 N -1.96 3.03 0.31 1.43 2.02 -1.14 -4.93 118.70 117.46 1sbs s GLU 160 Ca 0.00 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.29 1sbs s GLU 160 Cb 0.00 -4.26 -0.12 0.00 0.10 0.00 0.00 34.13 29.84 1sbs s GLU 160 CO 0.00 -1.45 1.41 -2.13 0.02 0.00 0.00 175.26 173.11 1sbs n ARG 161 N 5.98 2.28 -4.36 1.61 0.63 -1.26 0.14 116.66 121.68 1sbs n ARG 161 Ca -0.11 0.81 -0.25 0.00 -0.92 0.00 0.00 57.85 57.38 1sbs n ARG 161 Cb 0.42 -2.47 -0.12 0.00 0.45 0.00 0.00 32.46 30.74 1sbs n ARG 161 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 1sbs s GLN 162 N -1.20 1.34 0.00 -0.14 2.00 0.74 -4.84 119.66 117.56 1sbs s GLN 162 Ca 0.61 -1.39 0.00 0.00 -2.00 0.00 0.00 55.36 52.58 1sbs s GLN 162 Cb -0.57 -1.58 0.00 0.00 0.80 0.00 0.00 33.01 31.66 1sbs s GLN 162 CO 0.56 0.34 0.69 0.09 -0.50 0.00 0.00 175.29 176.48 1sbs n ASN 163 N 0.52 1.27 -3.13 6.67 3.02 -1.26 -4.29 115.26 118.06 1sbs n ASN 163 Ca -0.15 -1.47 -0.35 0.00 -0.03 0.00 0.00 54.58 52.58 1sbs n ASN 163 Cb 0.55 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 1sbs n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sbs n GLY 164 N -0.23 4.37 3.84 7.41 0.00 -1.26 -4.88 105.19 114.44 1sbs n GLY 164 Ca 0.00 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 1sbs n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sbs s VAL 165 N 0.73 5.26 -0.12 1.61 1.01 -1.26 -3.25 120.40 124.39 1sbs s VAL 165 Ca 0.64 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1sbs s VAL 165 Cb 0.21 -3.28 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1sbs s VAL 165 CO -0.07 0.62 -0.19 -0.76 0.00 0.00 0.00 175.10 174.70 1sbs s LEU 166 N -1.00 1.91 -0.02 3.92 1.43 0.10 -4.96 118.68 120.06 1sbs s LEU 166 Ca 0.15 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1sbs s LEU 166 Cb -0.12 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1sbs s LEU 166 CO 0.04 0.06 -0.10 0.20 0.23 0.00 0.00 176.35 176.77 1sbs s ASN 167 N 0.84 4.37 -0.11 2.29 0.02 -1.26 -0.67 114.94 120.42 1sbs s ASN 167 Ca -0.08 -0.17 -0.04 0.00 -1.02 0.00 0.00 52.86 51.54 1sbs s ASN 167 Cb -0.15 -0.97 0.06 0.00 0.02 0.00 0.00 41.25 40.20 1sbs s ASN 167 CO -0.00 0.31 0.21 -0.55 0.02 0.00 0.00 177.10 177.09 1sbs s SER 168 N -1.14 0.50 -0.03 -1.22 0.15 -0.37 -5.00 113.70 106.58 1sbs s SER 168 Ca 0.14 0.47 -0.13 0.00 0.70 0.00 0.00 55.95 57.13 1sbs s SER 168 Cb -0.11 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1sbs s SER 168 CO 0.04 -0.24 0.34 0.26 1.20 0.00 0.00 173.24 174.85 1sbs s TRP 169 N 2.28 3.69 1.06 3.44 0.51 -1.26 -1.62 118.94 127.04 1sbs s TRP 169 Ca 0.01 0.87 -0.15 0.00 -2.12 0.00 0.00 56.10 54.71 1sbs s TRP 169 Cb -0.12 -2.20 0.22 0.00 -0.81 0.00 0.00 33.47 30.55 1sbs s TRP 169 CO -0.07 0.66 1.13 0.95 -0.51 0.00 0.00 176.95 179.11 1sbs s THR 170 N -1.03 1.86 0.97 2.01 -4.23 -0.10 -5.01 115.64 110.10 1sbs s THR 170 Ca 0.21 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 1sbs s THR 170 Cb -0.15 -2.59 0.17 0.00 1.34 0.00 0.00 72.50 71.27 1sbs s THR 170 CO 0.11 0.00 1.09 -1.81 -0.54 0.00 0.00 174.62 173.47 1sbs s ASP 171 N -3.86 2.88 0.53 3.99 1.01 -1.26 -4.69 116.67 115.27 1sbs s ASP 171 Ca 0.68 1.32 -0.22 0.00 0.71 0.00 0.00 52.55 55.04 1sbs s ASP 171 Cb -0.13 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.75 1sbs s ASP 171 CO 0.56 -2.99 1.33 -1.10 0.21 0.00 0.00 175.17 173.18 1sbs s GLN 172 N -4.93 3.26 0.27 8.23 -0.21 -1.26 -4.64 119.66 120.38 1sbs s GLN 172 Ca 0.65 2.17 -0.29 0.00 0.02 0.00 0.00 55.36 57.90 1sbs s GLN 172 Cb -0.19 -2.30 -0.09 0.00 1.00 0.00 0.00 33.01 31.43 1sbs s GLN 172 CO 0.58 -1.07 1.13 0.34 -2.12 0.00 0.00 175.29 174.15 1sbs s ASP 173 N -1.00 7.19 0.39 5.90 2.15 0.11 -4.93 116.67 126.48 1sbs s ASP 173 Ca 0.70 2.31 0.14 0.00 0.43 0.00 0.00 52.55 56.13 1sbs s ASP 173 Cb -0.39 -2.63 0.78 0.00 -0.30 0.00 0.00 42.92 40.39 1sbs s ASP 173 CO 0.46 -0.21 1.85 0.28 -0.17 0.00 0.00 175.17 177.38 1sbs h SER 174 N 3.95 0.00 0.03 -0.34 0.02 -1.90 -1.39 113.55 113.92 1sbs h SER 174 Ca -0.47 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.19 1sbs h SER 174 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 1sbs h SER 174 CO 0.68 0.34 -1.63 1.17 -1.14 0.00 0.00 176.83 176.25 1sbs n LYS 175 N -4.05 0.61 0.00 3.45 4.81 -1.26 -2.67 118.16 119.05 1sbs n LYS 175 Ca -0.02 0.45 0.04 0.00 -0.87 0.00 0.00 58.31 57.92 1sbs n LYS 175 Cb 0.39 -1.70 0.03 0.00 0.02 0.00 0.00 35.03 33.78 1sbs n LYS 175 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1sbs n ASP 176 N -4.16 1.69 -1.19 3.14 5.68 -1.25 -4.78 116.55 115.68 1sbs n ASP 176 Ca -0.36 -1.34 -0.16 0.00 -0.50 0.00 0.00 54.79 52.44 1sbs n ASP 176 Cb 0.80 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.72 1sbs n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1sbs n SER 177 N 0.46 -5.30 -4.72 -1.12 7.64 -0.52 -4.94 113.62 105.12 1sbs n SER 177 Ca 0.05 0.38 -0.24 0.00 1.01 0.00 0.00 58.87 60.07 1sbs n SER 177 Cb 0.21 -4.16 0.09 0.00 -1.01 0.00 0.00 64.21 59.34 1sbs n SER 177 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1sbs s THR 178 N -2.43 2.25 0.27 0.44 -4.23 -1.26 -4.52 115.64 106.16 1sbs s THR 178 Ca 0.00 -0.45 0.10 0.00 -1.18 0.00 0.00 61.69 60.16 1sbs s THR 178 Cb 0.00 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.99 1sbs s THR 178 CO 0.00 0.00 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.72 1sbs s TYR 179 N -3.19 2.60 0.12 3.99 2.02 -0.22 0.07 117.35 122.74 1sbs s TYR 179 Ca 0.64 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1sbs s TYR 179 Cb -0.07 -1.16 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1sbs s TYR 179 CO 0.44 0.64 -0.09 -1.12 -1.57 0.00 0.00 175.55 173.85 1sbs s SER 180 N -3.64 1.47 -0.18 2.29 0.01 -1.26 -0.63 113.70 111.76 1sbs s SER 180 Ca 0.31 -0.99 -0.22 0.00 1.31 0.00 0.00 55.95 56.37 1sbs s SER 180 Cb -0.06 0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.26 1sbs s SER 180 CO 0.19 -0.38 0.58 -0.32 0.41 0.00 0.00 173.24 173.72 1sbs s MET 181 N -3.68 0.74 -0.14 12.44 1.75 0.10 -0.93 119.30 129.58 1sbs s MET 181 Ca 0.13 0.65 -0.06 0.00 -1.25 0.00 0.00 55.69 55.17 1sbs s MET 181 Cb 0.03 0.36 -0.04 0.00 2.84 0.00 0.00 34.83 38.02 1sbs s MET 181 CO -0.02 -0.13 0.06 0.45 -0.65 0.00 0.00 175.02 174.74 1sbs s SER 182 N -0.05 5.69 -0.14 1.11 0.15 -0.64 0.17 113.70 119.99 1sbs s SER 182 Ca -0.03 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.83 1sbs s SER 182 Cb -0.04 -1.85 0.02 0.00 -1.71 0.00 0.00 66.02 62.44 1sbs s SER 182 CO 0.02 0.29 -0.18 -0.55 1.20 0.00 0.00 173.24 174.03 1sbs s SER 183 N -0.33 2.81 -0.14 5.45 0.15 0.16 -1.24 113.70 120.56 1sbs s SER 183 Ca 0.09 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1sbs s SER 183 Cb -0.12 -1.28 0.02 0.00 -1.71 0.00 0.00 66.02 62.93 1sbs s SER 183 CO 0.02 0.02 -0.15 -0.89 1.20 0.00 0.00 173.24 173.43 1sbs s THR 184 N 1.08 1.64 -0.37 6.45 2.01 0.16 0.05 115.64 126.65 1sbs s THR 184 Ca -0.03 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 1sbs s THR 184 Cb -0.14 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.86 1sbs s THR 184 CO -0.05 0.47 0.24 -0.22 -0.69 0.00 0.00 174.62 174.37 1sbs s LEU 185 N 1.34 4.75 -0.18 4.42 0.20 -0.24 0.01 118.68 128.98 1sbs s LEU 185 Ca 0.02 -0.77 -0.03 0.00 0.69 0.00 0.00 54.13 54.04 1sbs s LEU 185 Cb -0.13 -2.10 -0.02 0.00 -0.43 0.00 0.00 46.19 43.51 1sbs s LEU 185 CO -0.09 -0.35 -0.05 -0.89 -0.29 0.00 0.00 176.35 174.67 1sbs s THR 186 N 1.65 3.52 0.43 3.68 2.01 -1.20 -0.07 115.64 125.65 1sbs s THR 186 Ca 0.04 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1sbs s THR 186 Cb -0.18 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1sbs s THR 186 CO 0.09 0.46 0.09 -0.76 -0.69 0.00 0.00 174.62 173.81 1sbs s LEU 187 N 0.89 2.11 0.70 4.42 1.43 -0.01 -4.91 118.68 123.31 1sbs s LEU 187 Ca -0.01 -1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 51.34 1sbs s LEU 187 Cb -0.15 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.77 1sbs s LEU 187 CO 0.01 -0.87 1.09 0.42 0.23 0.00 0.00 176.35 177.23 1sbs s THR 188 N -3.11 3.61 0.21 5.49 -4.23 -1.26 -0.63 115.64 115.71 1sbs s THR 188 Ca 0.20 0.52 -0.10 0.00 -1.18 0.00 0.00 61.69 61.14 1sbs s THR 188 Cb 0.03 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.52 1sbs s THR 188 CO 0.12 -0.68 1.85 0.50 -0.54 0.00 0.00 174.62 175.86 1sbs h LYS 189 N -0.63 1.05 -0.60 3.99 3.64 -1.66 -1.03 116.57 121.33 1sbs h LYS 189 Ca -0.45 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 1sbs h LYS 189 Cb 1.25 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1sbs h LYS 189 CO 0.63 0.75 0.26 -0.44 -2.27 0.00 0.00 179.45 178.39 1sbs h ASP 190 N 1.06 0.81 -0.40 4.20 3.32 -1.93 0.40 116.42 123.88 1sbs h ASP 190 Ca 0.28 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1sbs h ASP 190 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1sbs h ASP 190 CO -0.05 0.74 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.01 1sbs h GLU 191 N 0.83 0.86 -0.89 3.56 4.81 -1.89 -2.69 114.58 119.17 1sbs h GLU 191 Ca 0.20 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1sbs h GLU 191 Cb 0.16 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1sbs h GLU 191 CO -0.02 0.94 0.55 -0.92 -0.73 0.00 0.00 179.01 178.83 1sbs h TYR 192 N 0.77 1.16 -0.00 0.92 3.20 -0.70 -2.35 116.97 119.97 1sbs h TYR 192 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1sbs h TYR 192 Cb 0.63 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1sbs h TYR 192 CO 0.04 0.76 0.00 0.39 -1.64 0.00 0.00 178.16 177.71 1sbs n GLU 193 N -4.42 1.01 0.00 1.82 1.02 0.09 -2.95 120.64 117.21 1sbs n GLU 193 Ca 0.10 -0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1sbs n GLU 193 Cb 0.05 -1.46 0.37 0.00 -0.02 0.00 0.00 31.44 30.38 1sbs n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sbs n ARG 194 N -0.94 0.65 -4.27 3.49 1.74 -0.88 -4.95 116.66 111.49 1sbs n ARG 194 Ca 0.22 -0.37 -0.16 0.00 -0.77 0.00 0.00 57.85 56.77 1sbs n ARG 194 Cb 0.10 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 1sbs n ARG 194 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sbs s HIS 195 N -2.60 1.39 -0.20 -1.55 3.76 -1.15 -5.09 115.29 109.84 1sbs s HIS 195 Ca 0.22 -0.70 -0.12 0.00 -0.15 0.00 0.00 55.06 54.32 1sbs s HIS 195 Cb 0.19 -0.69 -0.09 0.00 1.11 0.00 0.00 32.58 33.11 1sbs s HIS 195 CO 0.55 0.16 -0.28 -1.71 -0.85 0.00 0.00 174.74 172.61 1sbs n ASN 196 N -0.19 1.59 -4.74 1.40 4.05 -1.26 -4.78 115.26 111.32 1sbs n ASN 196 Ca -0.10 0.27 -0.36 0.00 0.45 0.00 0.00 54.58 54.85 1sbs n ASN 196 Cb 0.60 -0.65 -0.07 0.00 1.23 0.00 0.00 39.78 40.89 1sbs n ASN 196 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1sbs s SER 197 N -6.78 6.31 -0.13 1.20 0.15 -1.26 -0.37 113.70 112.82 1sbs s SER 197 Ca -0.29 0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1sbs s SER 197 Cb 0.10 -2.12 0.02 0.00 -1.71 0.00 0.00 66.02 62.31 1sbs s SER 197 CO 0.38 0.17 -0.11 -0.31 1.20 0.00 0.00 173.24 174.57 1sbs s TYR 198 N 0.29 1.78 0.01 3.44 1.51 -0.70 -0.55 117.35 123.12 1sbs s TYR 198 Ca 0.12 -0.94 0.04 0.00 -1.01 0.00 0.00 57.07 55.28 1sbs s TYR 198 Cb -0.12 -1.39 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 1sbs s TYR 198 CO 0.01 -0.57 -0.13 0.95 -1.11 0.00 0.00 175.55 174.70 1sbs s THR 199 N 1.57 1.00 -0.17 -0.71 -4.23 -0.40 -1.56 115.64 111.14 1sbs s THR 199 Ca 0.04 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1sbs s THR 199 Cb -0.13 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1sbs s THR 199 CO -0.09 0.18 -0.15 0.00 -0.54 0.00 0.00 174.62 174.02 1sbs s GLU 201 N 0.98 2.41 -0.18 0.00 2.02 0.15 -1.45 118.70 122.63 1sbs s GLU 201 Ca -0.02 -0.79 -0.03 0.00 0.02 0.00 0.00 54.97 54.14 1sbs s GLU 201 Cb -0.15 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1sbs s GLU 201 CO -0.03 0.28 -0.06 0.00 0.02 0.00 0.00 175.26 175.47 1sbs s ALA 202 N 0.05 2.84 0.17 5.21 0.00 -0.30 -0.36 121.76 129.37 1sbs s ALA 202 Ca -0.08 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1sbs s ALA 202 Cb -0.14 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1sbs s ALA 202 CO 0.04 -0.04 -0.04 0.95 0.00 0.00 0.00 175.76 176.68 1sbs s THR 203 N 0.81 0.89 -0.28 0.00 -4.23 0.22 -1.61 115.64 111.44 1sbs s THR 203 Ca -0.02 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1sbs s THR 203 Cb -0.15 -2.03 0.15 0.00 1.34 0.00 0.00 72.50 71.82 1sbs s THR 203 CO 0.01 -0.58 0.40 -2.28 -0.54 0.00 0.00 174.62 171.64 1sbs s HIS 204 N -3.51 -0.97 0.00 3.99 2.46 -1.26 0.72 115.29 116.72 1sbs s HIS 204 Ca 0.21 0.51 0.00 0.00 0.47 0.00 0.00 55.06 56.25 1sbs s HIS 204 Cb 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.41 1sbs s HIS 204 CO 0.03 -0.90 0.00 1.17 -2.47 0.00 0.00 174.74 172.56 1sbs n LYS 205 N 5.36 0.00 -3.95 2.88 3.00 -1.26 -4.88 118.16 119.31 1sbs n LYS 205 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1sbs n LYS 205 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.46 1sbs n LYS 205 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1sbs s THR 206 N 0.00 0.04 -0.17 3.15 -4.23 -1.26 -4.99 115.64 108.18 1sbs s THR 206 Ca 0.00 -1.35 0.22 0.00 -1.18 0.00 0.00 61.69 59.38 1sbs s THR 206 Cb 0.00 -1.91 -0.11 0.00 1.34 0.00 0.00 72.50 71.82 1sbs s THR 206 CO 0.00 -0.20 0.86 -0.24 -0.54 0.00 0.00 174.62 174.50 1sbs n SER 207 N -0.27 0.58 -4.73 3.99 2.88 -1.26 -4.87 113.62 109.95 1sbs n SER 207 Ca -0.06 0.23 -0.42 0.00 -1.33 0.00 0.00 58.87 57.29 1sbs n SER 207 Cb 0.63 0.93 -0.03 0.00 -0.75 0.00 0.00 64.21 64.99 1sbs n SER 207 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1sbs s THR 208 N -3.40 2.27 0.60 2.46 2.01 -1.26 -4.98 115.64 113.34 1sbs s THR 208 Ca -0.03 0.20 -0.19 0.00 0.31 0.00 0.00 61.69 61.98 1sbs s THR 208 Cb 0.11 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1sbs s THR 208 CO 0.83 0.02 1.29 -0.44 -0.69 0.00 0.00 174.62 175.63 1sbs s SER 209 N 0.90 4.99 0.74 3.53 0.01 -1.26 -4.94 113.70 117.66 1sbs s SER 209 Ca 0.69 2.59 -0.15 0.00 1.31 0.00 0.00 55.95 60.39 1sbs s SER 209 Cb -0.47 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.19 1sbs s SER 209 CO 0.37 -1.74 1.23 -2.16 0.41 0.00 0.00 173.24 171.35 1sbs s PRO 210 N -3.21 2.06 -0.19 12.44 0.04 -1.26 -4.98 135.00 139.90 1sbs s PRO 210 Ca 0.78 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 63.41 1sbs s PRO 210 Cb -0.36 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1sbs s PRO 210 CO 0.40 -1.91 0.78 0.42 0.04 0.00 0.00 177.00 176.73 1sbs s ILE 211 N -1.90 4.90 -0.09 0.56 1.01 -0.64 -4.90 121.20 120.16 1sbs s ILE 211 Ca 0.76 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.95 1sbs s ILE 211 Cb -0.31 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1sbs s ILE 211 CO 0.46 0.02 -0.17 -0.69 0.00 0.00 0.00 174.94 174.56 1sbs s VAL 212 N 2.24 2.77 -0.01 2.92 1.01 -1.26 -1.15 120.40 126.92 1sbs s VAL 212 Ca 0.35 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1sbs s VAL 212 Cb -0.16 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1sbs s VAL 212 CO 0.11 0.56 -0.12 -0.54 0.00 0.00 0.00 175.10 175.11 1sbs s LYS 213 N -0.10 0.98 0.20 2.72 -0.14 -0.53 -5.01 119.74 117.87 1sbs s LYS 213 Ca -0.03 -0.42 -0.06 0.00 -1.36 0.00 0.00 55.97 54.10 1sbs s LYS 213 Cb -0.14 -0.95 -0.02 0.00 -1.68 0.00 0.00 37.83 35.04 1sbs s LYS 213 CO 0.04 0.25 0.25 -1.12 -0.76 0.00 0.00 175.35 174.01 1sbs s SER 214 N -0.25 0.08 0.09 2.83 0.01 -1.26 -0.61 113.70 114.58 1sbs s SER 214 Ca 0.04 -1.13 -0.15 0.00 1.31 0.00 0.00 55.95 56.02 1sbs s SER 214 Cb -0.05 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.65 1sbs s SER 214 CO -0.00 -0.92 0.36 0.72 0.41 0.00 0.00 173.24 173.80 1sbs s PHE 215 N -4.07 -0.15 -0.06 2.43 -0.12 -0.60 -5.00 117.98 110.41 1sbs s PHE 215 Ca 0.28 -0.08 0.06 0.00 -0.05 0.00 0.00 56.93 57.14 1sbs s PHE 215 Cb 0.04 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 1sbs s PHE 215 CO 0.07 -0.62 -0.25 -0.80 -0.05 0.00 0.00 175.22 173.58 1sbs s ASN 216 N -2.49 3.04 0.50 1.98 0.01 -1.26 -1.72 114.94 114.99 1sbs s ASN 216 Ca -0.00 -0.51 0.28 0.00 -0.71 0.00 0.00 52.86 51.92 1sbs s ASN 216 Cb 0.01 -0.83 1.30 0.00 0.41 0.00 0.00 41.25 42.14 1sbs s ASN 216 CO -0.08 0.24 1.99 0.03 -1.51 0.00 0.00 177.10 177.77 1sbs h ARG 217 N 6.06 0.00 -0.08 -0.60 3.08 -1.01 -2.76 114.38 119.07 1sbs h ARG 217 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1sbs h ARG 217 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1sbs h ARG 217 CO 0.47 0.14 0.00 0.27 -1.07 0.00 0.00 179.97 179.78 1sbs n ASN 218 N -3.47 0.08 0.23 7.04 0.23 -1.26 -2.31 115.26 115.79 1sbs n ASN 218 Ca -0.01 -1.83 0.14 0.00 -0.53 0.00 0.00 54.58 52.36 1sbs n ASN 218 Cb 0.31 -0.04 0.44 0.00 -2.08 0.00 0.00 39.78 38.41 1sbs n ASN 218 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1sbs h GLU 219 N 0.01 0.00 -0.02 -3.83 4.39 -1.90 -3.55 114.58 109.67 1sbs h GLU 219 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sbs h GLU 219 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1sbs h GLU 219 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85