#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbx s ILE 2 N 0.00 4.67 -0.19 0.53 1.01 -1.26 -5.02 121.20 120.94 3mbx s ILE 2 Ca 0.00 1.96 -0.13 0.00 0.00 0.00 0.00 60.65 62.48 3mbx s ILE 2 Cb 0.00 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 3mbx s ILE 2 CO 0.00 -0.04 0.24 -0.69 0.00 0.00 0.00 174.94 174.45 3mbx s VAL 3 N 2.37 5.33 -0.31 2.92 1.01 -1.26 -4.76 120.40 125.70 3mbx s VAL 3 Ca 0.49 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.78 3mbx s VAL 3 Cb -0.19 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3mbx s VAL 3 CO 0.16 0.37 0.16 -0.04 0.00 0.00 0.00 175.10 175.74 3mbx s MET 4 N 0.70 3.39 -0.32 2.72 1.00 -1.26 -1.45 119.30 124.08 3mbx s MET 4 Ca 0.13 -0.68 -0.07 0.00 0.00 0.00 0.00 55.69 55.06 3mbx s MET 4 Cb -0.13 -3.58 0.02 0.00 0.00 0.00 0.00 34.83 31.15 3mbx s MET 4 CO 0.03 -0.40 0.10 -1.12 0.00 0.00 0.00 175.02 173.64 3mbx s SER 5 N 1.63 5.27 -0.06 3.03 0.01 0.40 -4.15 113.70 119.83 3mbx s SER 5 Ca 0.05 -0.93 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 3mbx s SER 5 Cb -0.17 -1.89 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 3mbx s SER 5 CO 0.07 -0.27 0.13 -1.10 0.41 0.00 0.00 173.24 172.47 3mbx s GLN 6 N 1.46 3.32 -0.01 12.44 -0.21 -1.26 -0.82 119.66 134.57 3mbx s GLN 6 Ca 0.01 -0.29 -0.10 0.00 0.02 0.00 0.00 55.36 55.00 3mbx s GLN 6 Cb -0.18 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.78 3mbx s GLN 6 CO 0.03 0.71 0.21 -1.54 -2.12 0.00 0.00 175.29 172.59 3mbx s SER 7 N -1.42 -0.09 0.85 5.90 1.04 -0.40 -4.60 113.70 114.98 3mbx s SER 7 Ca 0.20 -0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.50 3mbx s SER 7 Cb -0.12 0.28 0.10 0.00 0.10 0.00 0.00 66.02 66.38 3mbx s SER 7 CO 0.10 -0.36 1.11 -2.16 0.98 0.00 0.00 173.24 172.91 3mbx s PRO 8 N -1.17 1.68 0.37 4.02 0.04 -1.26 -1.05 135.00 137.63 3mbx s PRO 8 Ca -0.12 0.48 0.16 0.00 0.04 0.00 0.00 61.00 61.56 3mbx s PRO 8 Cb -0.06 -1.88 0.73 0.00 0.04 0.00 0.00 34.50 33.32 3mbx s PRO 8 CO 0.02 -1.87 1.79 0.66 0.04 0.00 0.00 177.00 177.65 3mbx h SER 9 N -1.26 0.00 -5.02 6.66 4.64 -1.83 -3.41 113.55 113.32 3mbx h SER 9 Ca -0.48 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.79 3mbx h SER 9 Cb 1.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 3mbx h SER 9 CO 0.60 0.39 0.08 -0.94 -0.87 0.00 0.00 176.83 176.09 3mbx s SER 10 N -6.70 -0.46 0.04 4.97 1.04 -1.26 -1.02 113.70 110.31 3mbx s SER 10 Ca -0.02 0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.34 3mbx s SER 10 Cb 0.13 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.80 3mbx s SER 10 CO 0.71 -0.80 0.36 -1.48 0.98 0.00 0.00 173.24 173.01 3mbx s LEU 11 N -2.26 0.62 -0.06 2.42 2.34 -0.17 -4.91 118.68 116.66 3mbx s LEU 11 Ca -0.03 -0.05 0.02 0.00 0.06 0.00 0.00 54.13 54.14 3mbx s LEU 11 Cb -0.00 1.55 0.01 0.00 -0.56 0.00 0.00 46.19 47.19 3mbx s LEU 11 CO -0.06 -0.62 -0.13 0.00 -1.06 0.00 0.00 176.35 174.48 3mbx s ALA 12 N -2.35 1.31 0.04 1.48 0.00 -1.26 -0.92 121.76 120.06 3mbx s ALA 12 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3mbx s ALA 12 Cb -0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3mbx s ALA 12 CO -0.02 0.14 -0.04 0.14 0.00 0.00 0.00 175.76 175.98 3mbx s VAL 13 N 0.59 0.27 0.58 0.00 -7.23 -0.77 -4.86 120.40 108.97 3mbx s VAL 13 Ca -0.14 -1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 3mbx s VAL 13 Cb -0.15 -0.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 3mbx s VAL 13 CO 0.04 -0.66 1.02 -0.44 -0.31 0.00 0.00 175.10 174.75 3mbx s SER 14 N -2.05 6.23 0.14 4.85 0.01 -1.26 -0.51 113.70 121.10 3mbx s SER 14 Ca -0.06 1.56 -0.34 0.00 1.31 0.00 0.00 55.95 58.42 3mbx s SER 14 Cb -0.03 -2.50 -0.14 0.00 0.21 0.00 0.00 66.02 63.55 3mbx s SER 14 CO -0.04 -0.86 1.53 0.52 0.41 0.00 0.00 173.24 174.80 3mbx n VAL 15 N -2.20 0.01 0.00 3.43 0.31 -1.26 -1.80 118.33 116.82 3mbx n VAL 15 Ca 0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3mbx n VAL 15 Cb 0.54 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 3mbx n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mbx n GLY 16 N 3.25 2.65 3.76 2.92 0.00 0.42 -4.94 105.19 113.25 3mbx n GLY 16 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 3mbx n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mbx s GLU 17 N -0.34 3.13 0.27 1.61 2.02 -0.74 -4.13 118.70 120.51 3mbx s GLU 17 Ca 0.00 1.82 -0.29 0.00 0.02 0.00 0.00 54.97 56.52 3mbx s GLU 17 Cb 0.00 -2.02 -0.09 0.00 0.10 0.00 0.00 34.13 32.12 3mbx s GLU 17 CO 0.00 -1.08 0.94 0.21 0.02 0.00 0.00 175.26 175.35 3mbx s LYS 18 N -3.22 4.77 0.04 1.61 2.20 -1.25 -0.85 119.74 123.03 3mbx s LYS 18 Ca 0.75 1.44 0.05 0.00 -0.36 0.00 0.00 55.97 57.85 3mbx s LYS 18 Cb -0.30 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 3mbx s LYS 18 CO 0.33 0.44 -0.15 0.14 -0.36 0.00 0.00 175.35 175.75 3mbx s VAL 19 N -1.32 1.19 -0.02 4.02 -7.23 -0.53 -4.98 120.40 111.52 3mbx s VAL 19 Ca 0.44 -1.04 0.05 0.00 -1.81 0.00 0.00 61.98 59.62 3mbx s VAL 19 Cb -0.24 -1.07 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 3mbx s VAL 19 CO 0.29 0.02 -0.16 0.42 -0.31 0.00 0.00 175.10 175.37 3mbx s THR 20 N -0.86 1.28 0.07 5.32 -4.23 -1.26 -0.80 115.64 115.15 3mbx s THR 20 Ca 0.02 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 3mbx s THR 20 Cb -0.08 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 3mbx s THR 20 CO 0.01 0.36 -0.08 0.00 -0.54 0.00 0.00 174.62 174.37 3mbx s MET 21 N -0.27 0.67 0.06 3.99 0.23 -0.08 -4.84 119.30 119.06 3mbx s MET 21 Ca 0.04 -0.97 0.06 0.00 -1.03 0.00 0.00 55.69 53.79 3mbx s MET 21 Cb -0.07 -0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 32.85 3mbx s MET 21 CO -0.00 0.05 -0.14 0.45 -2.03 0.00 0.00 175.02 173.35 3mbx s SER 22 N -2.07 4.12 -0.07 -1.18 0.15 -0.21 -0.94 113.70 113.50 3mbx s SER 22 Ca -0.02 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.25 3mbx s SER 22 Cb -0.05 -0.75 0.03 0.00 -1.71 0.00 0.00 66.02 63.53 3mbx s SER 22 CO -0.01 0.23 -0.00 0.00 1.20 0.00 0.00 173.24 174.66 3mbx s LYS 24 N 1.85 3.13 0.09 0.00 1.02 -0.00 -0.48 119.74 125.35 3mbx s LYS 24 Ca 0.03 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.20 3mbx s LYS 24 Cb -0.12 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3mbx s LYS 24 CO -0.05 0.15 0.24 -1.54 -0.92 0.00 0.00 175.35 173.23 3mbx s SER 25 N 0.45 6.36 0.40 2.83 1.04 0.14 -0.45 113.70 124.47 3mbx s SER 25 Ca -0.14 0.26 0.26 0.00 0.48 0.00 0.00 55.95 56.81 3mbx s SER 25 Cb -0.17 -1.95 0.77 0.00 0.10 0.00 0.00 66.02 64.76 3mbx s SER 25 CO 0.06 0.13 1.75 0.77 0.98 0.00 0.00 173.24 176.93 3mbx h SER 26 N 2.83 0.00 -4.81 7.02 4.64 -1.59 -3.44 113.55 118.20 3mbx h SER 26 Ca -0.46 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.63 3mbx h SER 26 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 3mbx h SER 26 CO 0.74 0.00 -0.67 0.00 -0.87 0.00 0.00 176.83 176.03 3mbx s GLN 27 N -3.32 0.94 0.40 4.77 -2.07 -1.26 -4.98 119.66 114.13 3mbx s GLN 27 Ca 0.06 -1.42 -0.27 0.00 -1.82 0.00 0.00 55.36 51.90 3mbx s GLN 27 Cb 0.08 -0.09 -0.10 0.00 -1.09 0.00 0.00 33.01 31.81 3mbx s GLN 27 CO 0.59 -0.12 1.47 0.45 -1.32 0.00 0.00 175.29 176.36 3mbx s SER 28 N -3.08 6.23 -0.05 12.60 0.15 -1.26 -4.71 113.70 123.57 3mbx s SER 28 Ca 0.19 3.02 0.17 0.00 0.70 0.00 0.00 55.95 60.02 3mbx s SER 28 Cb 0.06 -2.66 0.54 0.00 -1.71 0.00 0.00 66.02 62.25 3mbx s SER 28 CO -0.01 -0.95 1.46 0.18 1.20 0.00 0.00 173.24 175.12 3mbx n LEU 29 N 0.29 3.84 -4.60 3.45 4.77 0.28 -4.94 117.00 120.09 3mbx n LEU 29 Ca 0.02 -2.25 -0.40 0.00 -0.03 0.00 0.00 56.01 53.34 3mbx n LEU 29 Cb 0.40 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 3mbx n LEU 29 CO 0.62 0.81 0.28 -0.22 -1.33 0.00 0.00 177.39 177.56 3mbx s LEU 30 N -1.46 4.12 -0.30 2.23 2.96 -1.26 -1.39 118.68 123.58 3mbx s LEU 30 Ca 0.40 0.42 -0.24 0.00 -0.22 0.00 0.00 54.13 54.48 3mbx s LEU 30 Cb 0.24 -2.69 0.00 0.00 0.50 0.00 0.00 46.19 44.24 3mbx s LEU 30 CO 0.22 -0.36 0.84 -0.47 -1.32 0.00 0.00 176.35 175.26 3mbx s TYR 31 N 2.40 3.21 0.26 5.38 6.04 -0.40 -4.93 117.35 129.30 3mbx s TYR 31 Ca 0.22 0.91 -0.02 0.00 0.04 0.00 0.00 57.07 58.22 3mbx s TYR 31 Cb -0.15 -3.28 0.46 0.00 -1.04 0.00 0.00 41.96 37.95 3mbx s TYR 31 CO 0.10 -0.58 1.81 -0.97 -1.54 0.00 0.00 175.55 174.38 3mbx h ASN 32 N 8.06 0.74 0.19 4.32 -1.24 -1.95 0.16 115.58 125.86 3mbx h ASN 32 Ca -0.23 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 56.77 3mbx h ASN 32 Cb 1.09 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 3mbx h ASN 32 CO 0.91 0.40 -0.25 0.78 -1.29 0.00 0.00 177.43 177.98 3mbx h ASN 33 N 0.84 0.10 0.00 1.15 2.35 -1.98 -3.25 115.58 114.80 3mbx h ASN 33 Ca 0.44 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3mbx h ASN 33 Cb 0.44 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3mbx h ASN 33 CO -0.27 0.36 0.00 -0.46 -1.65 0.00 0.00 177.43 175.42 3mbx n ASN 34 N -4.20 0.75 -2.58 5.81 0.23 -1.12 -5.02 115.26 109.13 3mbx n ASN 34 Ca -0.02 -0.96 -0.19 0.00 -0.53 0.00 0.00 54.58 52.88 3mbx n ASN 34 Cb 0.33 0.05 -0.00 0.00 -2.08 0.00 0.00 39.78 38.08 3mbx n ASN 34 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mbx n GLN 35 N -0.05 -2.52 -3.96 -3.83 1.13 0.53 -4.99 117.38 103.70 3mbx n GLN 35 Ca 0.00 0.85 -0.32 0.00 -1.94 0.00 0.00 57.00 55.59 3mbx n GLN 35 Cb 0.05 -5.54 -0.05 0.00 0.11 0.00 0.00 30.24 24.81 3mbx n GLN 35 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3mbx s LYS 36 N -5.22 3.32 -0.23 -1.09 1.02 -1.24 -4.89 119.74 111.41 3mbx s LYS 36 Ca 0.08 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 55.56 3mbx s LYS 36 Cb -0.04 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.23 3mbx s LYS 36 CO 0.10 0.64 0.11 -0.80 -0.92 0.00 0.00 175.35 174.48 3mbx s ASN 37 N -2.11 5.74 -1.24 2.83 0.01 -1.26 -1.28 114.94 117.64 3mbx s ASN 37 Ca 0.29 0.02 -0.08 0.00 -0.71 0.00 0.00 52.86 52.38 3mbx s ASN 37 Cb -0.13 -2.02 0.20 0.00 0.41 0.00 0.00 41.25 39.71 3mbx s ASN 37 CO 0.21 0.07 1.82 -1.22 -1.51 0.00 0.00 177.10 176.47 3mbx n TYR 38 N 4.25 2.75 -3.91 2.20 4.01 -0.48 -3.44 117.16 122.53 3mbx n TYR 38 Ca -0.16 -2.74 -0.15 0.00 -0.16 0.00 0.00 57.90 54.70 3mbx n TYR 38 Cb 0.52 -1.79 -0.15 0.00 -0.31 0.00 0.00 39.34 37.61 3mbx n TYR 38 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3mbx s LEU 39 N -0.85 1.56 0.19 7.72 2.96 -1.26 -1.63 118.68 127.36 3mbx s LEU 39 Ca 0.38 -0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.38 3mbx s LEU 39 Cb 0.09 -0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 3mbx s LEU 39 CO 0.02 -0.05 -0.20 0.00 -1.32 0.00 0.00 176.35 174.80 3mbx s ALA 40 N 0.51 2.28 0.01 5.97 0.00 -0.23 -0.64 121.76 129.66 3mbx s ALA 40 Ca -0.05 -1.59 0.07 0.00 0.00 0.00 0.00 51.96 50.39 3mbx s ALA 40 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3mbx s ALA 40 CO -0.01 0.30 -0.21 -1.58 0.00 0.00 0.00 175.76 174.26 3mbx s TRP 41 N -2.00 1.90 0.12 0.00 0.52 -0.02 -0.96 118.94 118.51 3mbx s TRP 41 Ca 0.19 -0.37 0.07 0.00 0.02 0.00 0.00 56.10 56.01 3mbx s TRP 41 Cb -0.06 -1.19 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 3mbx s TRP 41 CO 0.09 0.02 -0.16 0.71 0.02 0.00 0.00 176.95 177.63 3mbx s TYR 42 N -0.62 1.50 -0.14 -1.98 1.51 0.13 -0.43 117.35 117.32 3mbx s TYR 42 Ca 0.08 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3mbx s TYR 42 Cb -0.09 -0.79 -0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3mbx s TYR 42 CO 0.00 0.17 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.30 3mbx s GLN 43 N -2.40 3.22 -0.31 -0.62 0.74 0.22 -1.05 119.66 119.45 3mbx s GLN 43 Ca 0.08 -0.76 0.02 0.00 0.05 0.00 0.00 55.36 54.74 3mbx s GLN 43 Cb -0.07 -2.55 0.08 0.00 1.10 0.00 0.00 33.01 31.57 3mbx s GLN 43 CO 0.04 0.10 -0.00 -1.14 -0.55 0.00 0.00 175.29 173.73 3mbx s GLN 44 N 0.60 1.98 0.59 1.67 0.74 0.94 -0.62 119.66 125.56 3mbx s GLN 44 Ca -0.10 -1.57 -0.15 0.00 0.05 0.00 0.00 55.36 53.59 3mbx s GLN 44 Cb -0.16 -3.12 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 3mbx s GLN 44 CO 0.03 -0.76 1.05 0.15 -0.55 0.00 0.00 175.29 175.21 3mbx s LYS 45 N 1.06 3.38 0.13 1.67 1.02 -1.26 -1.30 119.74 124.44 3mbx s LYS 45 Ca 0.00 1.14 -0.35 0.00 0.02 0.00 0.00 55.97 56.78 3mbx s LYS 45 Cb -0.20 -2.04 -0.15 0.00 -0.52 0.00 0.00 37.83 34.92 3mbx s LYS 45 CO -0.05 -0.75 1.52 -2.30 -0.92 0.00 0.00 175.35 172.84 3mbx n PRO 46 N -2.07 1.85 -0.97 -1.68 -0.02 -1.26 -1.47 135.00 129.38 3mbx n PRO 46 Ca 0.08 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3mbx n PRO 46 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3mbx n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mbx n GLY 47 N 3.19 0.72 3.61 -1.23 0.00 -1.26 -5.01 105.19 105.21 3mbx n GLY 47 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3mbx n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mbx s GLN 48 N -0.15 2.03 0.75 1.61 -0.21 -0.54 -5.13 119.66 118.02 3mbx s GLN 48 Ca 0.00 -1.75 -0.11 0.00 0.02 0.00 0.00 55.36 53.52 3mbx s GLN 48 Cb 0.00 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 32.15 3mbx s GLN 48 CO 0.00 0.17 1.08 -1.54 -2.12 0.00 0.00 175.29 172.88 3mbx s SER 49 N -3.68 4.87 0.66 5.90 1.04 -1.26 -4.62 113.70 116.61 3mbx s SER 49 Ca 0.34 1.42 -0.18 0.00 0.48 0.00 0.00 55.95 58.01 3mbx s SER 49 Cb -0.01 -2.21 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 3mbx s SER 49 CO 0.19 -1.74 1.28 -2.65 0.98 0.00 0.00 173.24 171.29 3mbx n PRO 50 N -3.30 1.06 -4.89 4.02 -0.02 -1.26 -4.49 135.00 126.12 3mbx n PRO 50 Ca 0.07 0.42 -0.26 0.00 -2.02 0.00 0.00 63.50 61.71 3mbx n PRO 50 Cb 0.55 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 3mbx n PRO 50 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3mbx s LYS 51 N -3.39 1.59 0.08 -0.52 1.02 0.20 -4.94 119.74 113.79 3mbx s LYS 51 Ca 0.82 -0.66 -0.31 0.00 0.02 0.00 0.00 55.97 55.85 3mbx s LYS 51 Cb -0.38 -1.50 -0.07 0.00 -0.52 0.00 0.00 37.83 35.37 3mbx s LYS 51 CO 0.41 0.37 1.29 -1.17 -0.92 0.00 0.00 175.35 175.33 3mbx s LEU 52 N -0.33 4.37 -0.23 3.17 2.96 -1.26 -0.61 118.68 126.75 3mbx s LEU 52 Ca 0.05 2.16 -0.11 0.00 -0.22 0.00 0.00 54.13 56.00 3mbx s LEU 52 Cb -0.08 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.93 3mbx s LEU 52 CO 0.00 -0.56 -0.30 0.18 -1.32 0.00 0.00 176.35 174.35 3mbx n LEU 53 N 3.98 1.65 -3.88 -0.68 4.77 0.43 -4.79 117.00 118.48 3mbx n LEU 53 Ca 0.10 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 3mbx n LEU 53 Cb 0.44 -0.68 -0.13 0.00 -2.33 0.00 0.00 43.42 40.72 3mbx n LEU 53 CO 0.57 0.49 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.19 3mbx s ILE 54 N -2.42 0.03 0.25 -0.08 -1.09 -1.00 -0.97 121.20 115.91 3mbx s ILE 54 Ca -0.32 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3mbx s ILE 54 Cb 0.12 -0.16 -0.04 0.00 -1.58 0.00 0.00 42.46 40.80 3mbx s ILE 54 CO 0.41 -0.14 0.12 -0.72 -1.23 0.00 0.00 174.94 173.38 3mbx s TYR 55 N -0.42 1.43 -1.32 3.97 1.13 0.46 -0.84 117.35 121.77 3mbx s TYR 55 Ca -0.05 -1.29 -0.11 0.00 -1.41 0.00 0.00 57.07 54.22 3mbx s TYR 55 Cb -0.03 -0.78 0.08 0.00 -1.10 0.00 0.00 41.96 40.13 3mbx s TYR 55 CO 0.00 -0.47 0.53 0.91 -2.51 0.00 0.00 175.55 174.00 3mbx n TRP 56 N -0.42 -1.79 0.00 -3.49 5.03 -0.95 -0.50 117.44 115.32 3mbx n TRP 56 Ca 0.01 0.51 0.00 0.00 3.03 0.00 0.00 57.50 61.05 3mbx n TRP 56 Cb 0.66 -2.92 0.00 0.00 -1.03 0.00 0.00 31.31 28.02 3mbx n TRP 56 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3mbx n ALA 57 N -3.63 0.00 -1.07 6.99 0.00 0.19 -4.18 120.51 118.82 3mbx n ALA 57 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mbx n ALA 57 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3mbx n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mbx n SER 58 N 0.34 0.00 -4.64 0.00 3.41 -1.11 -3.29 113.62 108.33 3mbx n SER 58 Ca 0.00 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 3mbx n SER 58 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3mbx n SER 58 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mbx s THR 59 N 0.00 5.02 0.08 6.66 2.01 0.35 -4.63 115.64 125.13 3mbx s THR 59 Ca 0.00 1.10 -0.29 0.00 0.31 0.00 0.00 61.69 62.80 3mbx s THR 59 Cb 0.00 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 3mbx s THR 59 CO 0.00 0.08 0.94 -0.60 -0.69 0.00 0.00 174.62 174.35 3mbx s ARG 60 N 2.19 4.65 0.44 4.92 3.52 -1.26 -0.40 118.95 133.00 3mbx s ARG 60 Ca 0.26 1.40 -0.24 0.00 -0.13 0.00 0.00 55.73 57.02 3mbx s ARG 60 Cb -0.16 -3.39 -0.08 0.00 -1.56 0.00 0.00 34.95 29.76 3mbx s ARG 60 CO 0.09 0.17 1.20 -2.00 -0.81 0.00 0.00 175.30 173.95 3mbx s GLU 61 N 0.20 3.86 0.23 5.12 2.56 -0.14 -4.95 118.70 125.58 3mbx s GLU 61 Ca 0.47 1.89 -0.31 0.00 0.00 0.00 0.00 54.97 57.02 3mbx s GLU 61 Cb -0.23 -2.55 -0.14 0.00 2.00 0.00 0.00 34.13 33.21 3mbx s GLU 61 CO 0.29 -0.50 1.23 -1.13 -0.56 0.00 0.00 175.26 174.59 3mbx n SER 62 N -0.22 1.95 0.00 -1.70 3.41 -1.26 -1.94 113.62 113.85 3mbx n SER 62 Ca 0.06 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 3mbx n SER 62 Cb 0.47 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 3mbx n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mbx n GLY 63 N 1.84 1.20 3.72 5.00 0.00 -1.26 -5.04 105.19 110.65 3mbx n GLY 63 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3mbx n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mbx s VAL 64 N -2.83 5.12 0.34 1.61 1.01 -0.82 -5.02 120.40 119.81 3mbx s VAL 64 Ca 0.00 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.86 3mbx s VAL 64 Cb 0.00 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 3mbx s VAL 64 CO 0.00 0.31 1.31 -2.65 0.00 0.00 0.00 175.10 174.06 3mbx n PRO 65 N 3.64 2.18 0.00 2.72 -0.02 -1.26 -4.88 135.00 137.38 3mbx n PRO 65 Ca -0.05 0.76 0.05 0.00 -2.02 0.00 0.00 63.50 62.25 3mbx n PRO 65 Cb 0.51 -2.36 0.30 0.00 -0.02 0.00 0.00 33.50 31.93 3mbx n PRO 65 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3mbx n ASP 66 N 0.75 0.00 0.16 2.55 5.68 -1.26 -2.14 116.55 122.29 3mbx n ASP 66 Ca 0.04 -0.03 0.13 0.00 -0.50 0.00 0.00 54.79 54.43 3mbx n ASP 66 Cb 0.36 -0.19 0.56 0.00 -1.14 0.00 0.00 41.12 40.71 3mbx n ASP 66 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 3mbx h ARG 67 N 0.00 0.00 -5.33 0.11 0.11 -1.94 -3.41 114.38 103.92 3mbx h ARG 67 Ca 0.00 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.47 3mbx h ARG 67 Cb 0.07 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.03 3mbx h ARG 67 CO 0.00 0.00 -0.25 -0.06 0.10 0.00 0.00 179.97 179.76 3mbx s PHE 68 N -3.43 3.34 -0.05 4.08 0.40 -0.91 -0.53 117.98 120.87 3mbx s PHE 68 Ca 0.02 0.53 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 3mbx s PHE 68 Cb 0.09 -2.50 0.02 0.00 0.51 0.00 0.00 43.02 41.14 3mbx s PHE 68 CO 0.37 -0.04 -0.08 0.99 0.70 0.00 0.00 175.22 177.16 3mbx s THR 69 N 1.41 0.82 -0.02 0.64 2.01 -0.40 -4.98 115.64 115.12 3mbx s THR 69 Ca 0.17 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 3mbx s THR 69 Cb -0.15 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 3mbx s THR 69 CO 0.08 0.29 0.12 -0.83 -0.69 0.00 0.00 174.62 173.58 3mbx s GLY 70 N 0.79 2.08 0.30 4.40 0.00 -1.26 -0.74 107.32 112.90 3mbx s GLY 70 Ca -0.13 -0.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.74 3mbx s GLY 70 CO 0.02 -0.66 0.44 -1.35 0.00 0.00 0.00 173.10 171.55 3mbx s SER 71 N -1.69 0.54 0.00 1.64 1.04 -0.16 -4.28 113.70 110.79 3mbx s SER 71 Ca 0.23 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.35 3mbx s SER 71 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3mbx s SER 71 CO 0.14 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3mbx n GLY 72 N -0.48 1.63 3.54 7.32 0.00 -1.26 -1.49 105.19 114.45 3mbx n GLY 72 Ca 0.00 -2.06 -0.17 0.00 0.00 0.00 0.00 46.02 43.79 3mbx n GLY 72 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mbx s SER 73 N 0.00 -0.67 0.19 1.61 0.15 -1.15 -4.94 113.70 108.88 3mbx s SER 73 Ca 0.00 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3mbx s SER 73 Cb 0.00 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 3mbx s SER 73 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 3mbx n GLY 74 N 1.22 1.80 0.00 9.45 0.00 -1.26 -3.43 105.19 112.97 3mbx n GLY 74 Ca -0.18 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.60 3mbx n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mbx n THR 75 N 0.00 0.00 -4.06 2.61 -2.24 -1.26 -0.55 114.28 108.77 3mbx n THR 75 Ca 0.00 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 3mbx n THR 75 Cb 0.00 0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 68.69 3mbx n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3mbx s ASP 76 N -2.38 4.13 0.16 3.42 -0.00 -1.22 -0.69 116.67 120.09 3mbx s ASP 76 Ca -0.00 -1.15 0.08 0.00 -0.00 0.00 0.00 52.55 51.48 3mbx s ASP 76 Cb 0.05 -1.55 -0.04 0.00 -0.00 0.00 0.00 42.92 41.38 3mbx s ASP 76 CO 0.31 -0.14 -0.19 -0.36 -0.00 0.00 0.00 175.17 174.79 3mbx s PHE 77 N 1.18 1.82 -0.01 4.23 0.40 0.37 -2.95 117.98 123.02 3mbx s PHE 77 Ca -0.04 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3mbx s PHE 77 Cb -0.18 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.44 3mbx s PHE 77 CO -0.07 0.31 -0.02 0.99 0.70 0.00 0.00 175.22 177.13 3mbx s THR 78 N -1.93 0.23 -0.21 0.64 2.01 -0.56 -0.93 115.64 114.89 3mbx s THR 78 Ca 0.14 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 3mbx s THR 78 Cb -0.06 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 3mbx s THR 78 CO 0.06 0.09 0.00 -0.22 -0.69 0.00 0.00 174.62 173.86 3mbx s LEU 79 N 0.18 3.19 -0.09 4.42 2.96 -0.11 -0.99 118.68 128.24 3mbx s LEU 79 Ca -0.02 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3mbx s LEU 79 Cb -0.04 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 3mbx s LEU 79 CO -0.00 0.02 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.07 3mbx s THR 80 N 1.25 3.47 -0.28 3.68 2.01 0.08 -0.90 115.64 124.95 3mbx s THR 80 Ca 0.04 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 3mbx s THR 80 Cb -0.15 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 69.95 3mbx s THR 80 CO 0.01 0.57 0.04 -0.63 -0.69 0.00 0.00 174.62 173.92 3mbx s ILE 81 N -0.42 3.63 0.26 1.82 1.01 0.02 -1.27 121.20 126.25 3mbx s ILE 81 Ca 0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 3mbx s ILE 81 Cb -0.12 -2.87 0.18 0.00 0.01 0.00 0.00 42.46 39.66 3mbx s ILE 81 CO 0.02 0.11 1.84 0.77 0.00 0.00 0.00 174.94 177.68 3mbx h SER 82 N 8.16 0.94 -1.83 3.58 4.64 -1.09 -1.40 113.55 126.54 3mbx h SER 82 Ca -0.32 -0.13 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 3mbx h SER 82 Cb 1.12 -0.24 -0.29 0.00 -0.31 0.00 0.00 62.40 62.68 3mbx h SER 82 CO 0.59 0.83 -0.48 -0.55 -0.87 0.00 0.00 176.83 176.36 3mbx s SER 83 N -6.44 0.18 0.38 4.97 0.15 -1.26 -3.91 113.70 107.77 3mbx s SER 83 Ca -0.11 0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.47 3mbx s SER 83 Cb 0.16 1.17 -0.09 0.00 -1.71 0.00 0.00 66.02 65.55 3mbx s SER 83 CO 0.81 -0.30 1.12 0.68 1.20 0.00 0.00 173.24 176.75 3mbx s VAL 84 N 2.56 3.38 0.27 4.45 -7.23 -0.03 -4.75 120.40 119.05 3mbx s VAL 84 Ca 0.13 1.17 0.08 0.00 -1.81 0.00 0.00 61.98 61.55 3mbx s VAL 84 Cb -0.15 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 3mbx s VAL 84 CO -0.18 0.11 0.10 -0.54 -0.31 0.00 0.00 175.10 174.28 3mbx s LYS 85 N -2.20 2.54 0.49 4.82 1.02 -1.26 -0.44 119.74 124.71 3mbx s LYS 85 Ca 0.55 -1.31 0.15 0.00 0.02 0.00 0.00 55.97 55.38 3mbx s LYS 85 Cb -0.28 -2.31 1.18 0.00 -0.52 0.00 0.00 37.83 35.89 3mbx s LYS 85 CO 0.36 0.33 2.10 0.00 -0.92 0.00 0.00 175.35 177.22 3mbx h ALA 86 N 1.68 1.99 0.00 5.17 0.00 -1.93 -0.76 119.26 125.42 3mbx h ALA 86 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mbx h ALA 86 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mbx h ALA 86 CO 0.61 -0.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.98 3mbx n GLU 87 N -4.50 0.83 0.00 0.00 0.00 -1.14 -3.70 120.64 112.13 3mbx n GLU 87 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.32 3mbx n GLU 87 Cb 0.16 -1.50 0.67 0.00 0.00 0.00 0.00 31.44 30.77 3mbx n GLU 87 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3mbx n ASP 88 N -1.06 0.89 -4.73 -1.84 8.00 -0.29 -4.85 116.55 112.67 3mbx n ASP 88 Ca 0.21 -1.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 3mbx n ASP 88 Cb 0.13 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3mbx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mbx n LEU 89 N -0.34 4.10 0.00 0.64 -0.00 -1.24 -4.89 117.00 115.27 3mbx n LEU 89 Ca 0.20 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.30 3mbx n LEU 89 Cb 0.26 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.11 3mbx n LEU 89 CO 0.18 0.15 0.00 0.00 -0.00 0.00 0.00 177.39 177.72 3mbx n ALA 90 N 3.27 0.00 -2.73 1.47 0.00 -0.99 -4.59 120.51 116.95 3mbx n ALA 90 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 3mbx n ALA 90 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 3mbx n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mbx s VAL 91 N -2.00 5.41 -0.19 0.00 1.01 -0.42 -0.41 120.40 123.79 3mbx s VAL 91 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 3mbx s VAL 91 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3mbx s VAL 91 CO 0.00 0.44 0.05 -0.31 0.00 0.00 0.00 175.10 175.28 3mbx s TYR 92 N 0.37 3.20 -0.04 5.22 2.02 -0.12 -0.04 117.35 127.97 3mbx s TYR 92 Ca 0.08 -0.03 0.07 0.00 -0.37 0.00 0.00 57.07 56.81 3mbx s TYR 92 Cb -0.11 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 3mbx s TYR 92 CO -0.02 0.06 -0.24 0.71 -1.57 0.00 0.00 175.55 174.49 3mbx s TYR 93 N 0.56 2.43 0.36 2.71 1.51 -0.21 -1.36 117.35 123.35 3mbx s TYR 93 Ca 0.03 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.65 3mbx s TYR 93 Cb -0.13 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 3mbx s TYR 93 CO 0.01 -0.07 0.52 0.00 -1.11 0.00 0.00 175.55 174.90 3mbx s GLN 95 N -4.26 0.43 0.02 0.00 0.74 -0.13 -0.98 119.66 115.47 3mbx s GLN 95 Ca 0.46 0.64 -0.08 0.00 0.05 0.00 0.00 55.36 56.43 3mbx s GLN 95 Cb -0.10 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.08 3mbx s GLN 95 CO 0.33 -0.10 0.31 1.14 -0.55 0.00 0.00 175.29 176.42 3mbx s GLN 96 N 0.70 3.65 -0.11 1.67 1.03 -0.33 -1.07 119.66 125.20 3mbx s GLN 96 Ca -0.04 0.04 0.16 0.00 0.04 0.00 0.00 55.36 55.56 3mbx s GLN 96 Cb -0.05 -3.08 0.38 0.00 0.03 0.00 0.00 33.01 30.29 3mbx s GLN 96 CO -0.05 0.64 1.18 2.48 -2.54 0.00 0.00 175.29 177.00 3mbx n TYR 97 N 1.20 0.00 -0.04 9.60 4.11 -0.65 -3.58 117.16 127.81 3mbx n TYR 97 Ca -0.11 -0.99 -0.15 0.00 -0.00 0.00 0.00 57.90 56.65 3mbx n TYR 97 Cb 0.53 -0.19 -0.08 0.00 -0.00 0.00 0.00 39.34 39.59 3mbx n TYR 97 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 3mbx h TYR 98 N 0.82 0.51 -3.46 -3.48 5.03 -1.93 -3.47 116.97 111.00 3mbx h TYR 98 Ca -0.08 -0.20 -0.15 0.00 2.58 0.00 0.00 58.73 60.88 3mbx h TYR 98 Cb 1.34 -0.09 -0.21 0.00 1.55 0.00 0.00 36.73 39.32 3mbx h TYR 98 CO 0.43 0.92 -0.48 0.45 -1.32 0.00 0.00 178.16 178.16 3mbx s SER 99 N -6.39 -0.02 0.37 -2.11 0.15 -1.26 -5.12 113.70 99.33 3mbx s SER 99 Ca -0.14 -0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.14 3mbx s SER 99 Cb 0.05 0.24 -0.10 0.00 -1.71 0.00 0.00 66.02 64.50 3mbx s SER 99 CO 0.78 -0.32 1.31 -0.47 1.20 0.00 0.00 173.24 175.74 3mbx s TYR 100 N -1.14 2.93 0.46 3.44 6.14 -1.26 -3.78 117.35 124.13 3mbx s TYR 100 Ca -0.12 1.41 -0.21 0.00 0.64 0.00 0.00 57.07 58.78 3mbx s TYR 100 Cb -0.06 -3.68 -0.09 0.00 0.42 0.00 0.00 41.96 38.55 3mbx s TYR 100 CO 0.01 -1.99 1.05 -1.25 0.64 0.00 0.00 175.55 174.01 3mbx s PRO 101 N -2.02 3.91 0.09 4.97 0.04 -1.26 -4.94 135.00 135.79 3mbx s PRO 101 Ca 0.53 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.70 3mbx s PRO 101 Cb -0.39 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 3mbx s PRO 101 CO 0.51 -0.35 0.93 -0.06 0.04 0.00 0.00 177.00 178.07 3mbx s PHE 102 N -1.86 3.79 0.03 0.56 0.40 -1.25 -4.67 117.98 114.99 3mbx s PHE 102 Ca 0.64 1.73 0.03 0.00 -0.60 0.00 0.00 56.93 58.74 3mbx s PHE 102 Cb -0.19 -3.02 -0.02 0.00 0.51 0.00 0.00 43.02 40.30 3mbx s PHE 102 CO 0.23 0.20 -0.09 0.95 0.70 0.00 0.00 175.22 177.21 3mbx s THR 103 N 0.08 0.69 0.14 0.64 -4.23 -1.23 -5.03 115.64 106.70 3mbx s THR 103 Ca 0.46 -0.88 0.06 0.00 -1.18 0.00 0.00 61.69 60.15 3mbx s THR 103 Cb -0.23 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 3mbx s THR 103 CO 0.28 -0.16 0.02 -0.36 -0.54 0.00 0.00 174.62 173.86 3mbx s PHE 104 N -0.96 2.94 0.94 3.99 0.08 -1.26 -1.19 117.98 122.53 3mbx s PHE 104 Ca -0.04 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.81 3mbx s PHE 104 Cb -0.08 -1.45 0.15 0.00 -0.57 0.00 0.00 43.02 41.07 3mbx s PHE 104 CO 0.01 0.50 1.13 0.20 -0.10 0.00 0.00 175.22 176.96 3mbx s GLY 105 N -2.76 1.57 0.00 4.36 0.00 -0.15 -4.57 107.32 105.77 3mbx s GLY 105 Ca 0.27 -0.50 0.28 0.00 0.00 0.00 0.00 44.72 44.77 3mbx s GLY 105 CO 0.19 0.08 1.89 -1.14 0.00 0.00 0.00 173.10 174.12 3mbx n SER 106 N -3.88 0.87 0.00 1.64 3.41 -1.26 -4.74 113.62 109.67 3mbx n SER 106 Ca 0.06 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.33 3mbx n SER 106 Cb 0.59 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3mbx n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mbx n GLY 107 N 1.08 0.53 3.11 5.00 0.00 -1.26 -4.99 105.19 108.65 3mbx n GLY 107 Ca 0.20 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 3mbx n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mbx s THR 108 N -2.78 1.95 -0.19 2.61 2.01 -0.46 -4.68 115.64 114.10 3mbx s THR 108 Ca 0.00 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 60.89 3mbx s THR 108 Cb 0.00 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 3mbx s THR 108 CO 0.00 0.52 0.69 -0.75 -0.69 0.00 0.00 174.62 174.40 3mbx s LYS 109 N 1.16 4.23 -0.23 4.92 2.20 -0.19 -0.94 119.74 130.89 3mbx s LYS 109 Ca 0.01 0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 56.28 3mbx s LYS 109 Cb -0.14 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3mbx s LYS 109 CO -0.09 -0.28 0.06 -1.17 -0.36 0.00 0.00 175.35 173.51 3mbx s LEU 110 N 2.04 3.50 0.29 5.43 2.96 0.45 -1.00 118.68 132.35 3mbx s LEU 110 Ca 0.31 -0.15 0.11 0.00 -0.22 0.00 0.00 54.13 54.19 3mbx s LEU 110 Cb -0.16 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 3mbx s LEU 110 CO 0.11 0.02 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.42 3mbx s GLU 111 N 1.31 1.89 -0.11 1.98 2.02 -0.10 -2.34 118.70 123.35 3mbx s GLU 111 Ca 0.05 -1.69 -0.02 0.00 0.02 0.00 0.00 54.97 53.33 3mbx s GLU 111 Cb -0.15 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 3mbx s GLU 111 CO 0.03 0.31 -0.03 0.42 0.02 0.00 0.00 175.26 176.01 3mbx s ILE 112 N -2.47 4.03 0.05 -1.63 -1.09 -1.26 -1.85 121.20 116.98 3mbx s ILE 112 Ca 0.31 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.35 3mbx s ILE 112 Cb -0.04 -2.71 -0.05 0.00 -1.58 0.00 0.00 42.46 38.08 3mbx s ILE 112 CO 0.17 0.56 0.28 -0.54 -1.23 0.00 0.00 174.94 174.18 3mbx s LYS 113 N -0.43 3.55 0.36 2.79 1.02 0.33 -4.84 119.74 122.51 3mbx s LYS 113 Ca 0.07 -0.17 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 3mbx s LYS 113 Cb -0.12 -3.02 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 3mbx s LYS 113 CO 0.02 0.60 0.54 2.89 -0.92 0.00 0.00 175.35 178.48 3mbx n ARG 114 N 0.69 0.78 -2.16 1.68 1.85 -1.26 -4.28 116.66 113.96 3mbx n ARG 114 Ca -0.08 -2.66 -0.37 0.00 -1.00 0.00 0.00 57.85 53.75 3mbx n ARG 114 Cb 0.52 2.69 0.01 0.00 -1.05 0.00 0.00 32.46 34.62 3mbx n ARG 114 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3mbx s ALA 115 N -2.63 2.81 0.41 2.89 0.00 -1.26 -4.96 121.76 119.02 3mbx s ALA 115 Ca 0.26 0.97 -0.25 0.00 0.00 0.00 0.00 51.96 52.94 3mbx s ALA 115 Cb -0.02 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 3mbx s ALA 115 CO 0.19 -0.86 1.21 -0.25 0.00 0.00 0.00 175.76 176.05 3mbx n ASP 116 N -0.95 2.27 -3.79 0.00 8.00 -1.26 -4.79 116.55 116.02 3mbx n ASP 116 Ca 0.10 1.10 -0.14 0.00 0.71 0.00 0.00 54.79 56.57 3mbx n ASP 116 Cb 0.49 -1.46 -0.15 0.00 -0.02 0.00 0.00 41.12 39.98 3mbx n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mbx s ALA 117 N -1.20 -0.13 0.31 2.24 0.00 -0.43 -4.91 121.76 117.64 3mbx s ALA 117 Ca 0.61 0.41 -0.22 0.00 0.00 0.00 0.00 51.96 52.76 3mbx s ALA 117 Cb -0.53 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.22 3mbx s ALA 117 CO 0.58 -0.10 0.85 0.00 0.00 0.00 0.00 175.76 177.09 3mbx s ALA 118 N 0.77 3.26 0.60 0.00 0.00 -1.26 -1.46 121.76 123.67 3mbx s ALA 118 Ca -0.06 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 3mbx s ALA 118 Cb -0.08 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3mbx s ALA 118 CO -0.03 0.24 1.03 -1.25 0.00 0.00 0.00 175.76 175.75 3mbx s PRO 119 N -2.36 3.45 0.03 0.00 0.04 -1.26 -4.61 135.00 130.29 3mbx s PRO 119 Ca 0.51 1.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.44 3mbx s PRO 119 Cb -0.15 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 3mbx s PRO 119 CO 0.20 -0.69 0.38 0.95 0.04 0.00 0.00 177.00 177.89 3mbx s THR 120 N -2.75 5.10 -0.07 1.26 -4.23 -0.93 -4.88 115.64 109.15 3mbx s THR 120 Ca 0.60 0.60 0.04 0.00 -1.18 0.00 0.00 61.69 61.75 3mbx s THR 120 Cb -0.13 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 3mbx s THR 120 CO 0.42 0.45 -0.18 -0.69 -0.54 0.00 0.00 174.62 174.07 3mbx s VAL 121 N -1.23 2.66 0.03 2.29 1.01 -1.26 -0.80 120.40 123.10 3mbx s VAL 121 Ca 0.27 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3mbx s VAL 121 Cb -0.15 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3mbx s VAL 121 CO 0.15 0.57 -0.12 -0.44 0.00 0.00 0.00 175.10 175.26 3mbx s SER 122 N -0.29 1.40 0.02 3.32 0.01 -0.34 -4.85 113.70 112.97 3mbx s SER 122 Ca 0.01 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.89 3mbx s SER 122 Cb -0.13 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 3mbx s SER 122 CO 0.03 0.00 -0.12 -0.51 0.41 0.00 0.00 173.24 173.05 3mbx s ILE 123 N -0.83 0.96 -0.17 1.44 2.07 -1.26 -0.70 121.20 122.70 3mbx s ILE 123 Ca -0.00 -0.83 -0.01 0.00 -1.41 0.00 0.00 60.65 58.40 3mbx s ILE 123 Cb -0.07 -0.86 0.05 0.00 0.13 0.00 0.00 42.46 41.70 3mbx s ILE 123 CO 0.01 0.04 -0.03 -0.36 -1.91 0.00 0.00 174.94 172.69 3mbx s PHE 124 N -0.70 1.54 1.01 3.50 0.40 0.16 -5.00 117.98 118.89 3mbx s PHE 124 Ca 0.01 -1.03 -0.11 0.00 -0.60 0.00 0.00 56.93 55.20 3mbx s PHE 124 Cb -0.07 -1.24 0.19 0.00 0.51 0.00 0.00 43.02 42.41 3mbx s PHE 124 CO 0.01 -0.61 1.05 -2.30 0.70 0.00 0.00 175.22 174.06 3mbx n PRO 125 N 4.91 -1.13 -1.66 0.24 -0.02 -1.26 -1.82 135.00 134.26 3mbx n PRO 125 Ca -0.11 -0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 60.66 3mbx n PRO 125 Cb 0.47 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3mbx n PRO 125 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3mbx n PRO 126 N -4.32 1.83 -2.22 0.52 -0.02 -1.19 -4.80 135.00 124.79 3mbx n PRO 126 Ca 0.09 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.87 3mbx n PRO 126 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3mbx n PRO 126 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mbx s SER 127 N -0.42 5.77 0.39 2.55 1.04 -1.26 -4.90 113.70 116.87 3mbx s SER 127 Ca 0.57 2.06 0.06 0.00 0.48 0.00 0.00 55.95 59.11 3mbx s SER 127 Cb -0.61 -2.57 0.78 0.00 0.10 0.00 0.00 66.02 63.73 3mbx s SER 127 CO 0.61 -1.18 2.03 0.77 0.98 0.00 0.00 173.24 176.46 3mbx h SER 128 N 1.02 0.57 -0.64 7.02 4.64 -1.99 -0.81 113.55 123.36 3mbx h SER 128 Ca -0.49 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.72 3mbx h SER 128 Cb 1.25 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3mbx h SER 128 CO 0.57 0.40 0.03 1.05 -0.87 0.00 0.00 176.83 178.02 3mbx h GLU 129 N 0.67 1.10 -0.49 4.77 9.09 -1.99 0.51 114.58 128.23 3mbx h GLU 129 Ca 0.19 -0.33 -0.09 0.00 0.05 0.00 0.00 59.36 59.19 3mbx h GLU 129 Cb -0.03 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 26.95 3mbx h GLU 129 CO -0.05 1.05 -0.03 0.37 0.05 0.00 0.00 179.01 180.40 3mbx h GLN 130 N 1.01 0.89 -0.85 1.06 4.15 -1.76 -1.82 115.11 117.79 3mbx h GLN 130 Ca 0.18 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 3mbx h GLN 130 Cb 0.53 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 3mbx h GLN 130 CO 0.03 0.94 0.53 -0.07 -1.93 0.00 0.00 178.83 178.33 3mbx h LEU 131 N 0.75 1.01 -0.98 -2.39 3.38 -0.94 -1.23 115.31 114.91 3mbx h LEU 131 Ca 0.14 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3mbx h LEU 131 Cb 0.56 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3mbx h LEU 131 CO 0.03 0.77 0.33 0.74 0.09 0.00 0.00 178.44 180.40 3mbx h THR 132 N 1.17 1.24 0.00 0.22 2.02 -0.79 -2.42 112.91 114.34 3mbx h THR 132 Ca 0.31 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3mbx h THR 132 Cb -0.07 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3mbx h THR 132 CO -0.06 0.29 0.00 0.77 0.37 0.00 0.00 175.52 176.89 3mbx h SER 133 N 1.05 0.00 0.00 4.18 4.64 -0.63 -3.47 113.55 119.32 3mbx h SER 133 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3mbx h SER 133 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3mbx h SER 133 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 3mbx n GLY 134 N 0.33 0.92 3.78 -0.77 0.00 -0.53 -5.09 105.19 103.83 3mbx n GLY 134 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3mbx n GLY 134 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mbx s GLY 135 N -1.03 2.35 -0.26 -0.02 0.00 -0.78 -3.62 107.32 103.96 3mbx s GLY 135 Ca 0.00 -1.89 -0.02 0.00 0.00 0.00 0.00 44.72 42.81 3mbx s GLY 135 CO 0.00 -1.90 0.26 0.00 0.00 0.00 0.00 173.10 171.46 3mbx s ALA 136 N -2.62 -0.36 -0.17 3.20 0.00 -1.10 -3.19 121.76 117.52 3mbx s ALA 136 Ca 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 3mbx s ALA 136 Cb 0.02 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 3mbx s ALA 136 CO 0.22 -1.50 -0.08 -1.12 0.00 0.00 0.00 175.76 173.28 3mbx s SER 137 N 2.34 4.29 -0.23 0.00 0.01 -1.26 -0.86 113.70 117.99 3mbx s SER 137 Ca 0.09 -0.31 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 3mbx s SER 137 Cb -0.15 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.34 3mbx s SER 137 CO -0.25 0.09 0.13 -0.69 0.41 0.00 0.00 173.24 172.93 3mbx s VAL 138 N 0.82 5.07 -0.16 3.43 1.01 0.25 -3.14 120.40 127.68 3mbx s VAL 138 Ca -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 3mbx s VAL 138 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3mbx s VAL 138 CO 0.01 0.36 -0.06 -0.69 0.00 0.00 0.00 175.10 174.72 3mbx s VAL 139 N 1.04 3.60 -0.09 2.92 1.01 -0.76 -0.85 120.40 127.28 3mbx s VAL 139 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3mbx s VAL 139 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3mbx s VAL 139 CO 0.04 0.49 -0.18 0.00 0.00 0.00 0.00 175.10 175.45 3mbx s PHE 141 N -0.03 2.45 -0.21 0.00 5.36 0.12 -0.47 117.98 125.19 3mbx s PHE 141 Ca -0.05 -1.31 -0.04 0.00 -0.96 0.00 0.00 56.93 54.57 3mbx s PHE 141 Cb -0.14 -1.72 -0.01 0.00 -0.34 0.00 0.00 43.02 40.81 3mbx s PHE 141 CO 0.04 -0.65 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.60 3mbx s LEU 142 N 1.12 2.88 -0.06 6.12 1.02 0.03 -1.20 118.68 128.59 3mbx s LEU 142 Ca -0.01 -0.39 0.02 0.00 0.02 0.00 0.00 54.13 53.77 3mbx s LEU 142 Cb -0.14 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 3mbx s LEU 142 CO -0.07 -0.01 -0.11 0.21 0.02 0.00 0.00 176.35 176.39 3mbx s ASN 143 N 1.41 4.25 -1.11 2.29 2.47 0.02 -0.91 114.94 123.36 3mbx s ASN 143 Ca 0.05 -0.14 -0.15 0.00 0.42 0.00 0.00 52.86 53.04 3mbx s ASN 143 Cb -0.14 -1.02 -0.03 0.00 -1.45 0.00 0.00 41.25 38.61 3mbx s ASN 143 CO -0.03 0.34 0.84 0.59 -3.72 0.00 0.00 177.10 175.12 3mbx n ASN 144 N 2.37 -5.68 -4.56 -4.21 3.02 -0.70 -2.18 115.26 103.32 3mbx n ASN 144 Ca -0.17 -0.90 -0.26 0.00 -0.03 0.00 0.00 54.58 53.21 3mbx n ASN 144 Cb 0.52 -4.07 -0.11 0.00 -0.61 0.00 0.00 39.78 35.52 3mbx n ASN 144 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3mbx s PHE 145 N -3.44 2.40 -0.24 3.10 -0.71 -0.03 -4.57 117.98 114.49 3mbx s PHE 145 Ca 0.46 -0.57 -0.21 0.00 -1.04 0.00 0.00 56.93 55.57 3mbx s PHE 145 Cb -0.13 -1.47 0.06 0.00 -1.21 0.00 0.00 43.02 40.28 3mbx s PHE 145 CO 0.82 0.52 0.63 -0.47 -1.34 0.00 0.00 175.22 175.38 3mbx s TYR 146 N -2.67 -0.75 1.00 3.49 6.14 -0.53 -0.61 117.35 123.41 3mbx s TYR 146 Ca 0.33 1.76 -0.17 0.00 0.64 0.00 0.00 57.07 59.63 3mbx s TYR 146 Cb 0.05 0.30 0.22 0.00 0.42 0.00 0.00 41.96 42.95 3mbx s TYR 146 CO 0.17 -0.37 1.33 -1.25 0.64 0.00 0.00 175.55 176.07 3mbx s PRO 147 N 0.59 0.36 0.32 4.97 0.04 -1.26 -1.32 135.00 138.70 3mbx s PRO 147 Ca -0.02 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.55 3mbx s PRO 147 Cb -0.05 -1.82 0.52 0.00 0.04 0.00 0.00 34.50 33.20 3mbx s PRO 147 CO -0.03 -2.60 1.94 -0.09 0.04 0.00 0.00 177.00 176.26 3mbx h ARG 148 N -1.77 0.87 -6.47 4.56 2.43 -1.97 -3.39 114.38 108.63 3mbx h ARG 148 Ca -0.44 -0.09 -0.55 0.00 -0.81 0.00 0.00 59.98 58.09 3mbx h ARG 148 Cb 1.22 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.52 3mbx h ARG 148 CO 0.34 0.65 1.02 0.16 -1.51 0.00 0.00 179.97 180.62 3mbx s ASP 149 N -6.49 6.31 0.10 -3.80 -4.77 -1.26 -4.96 116.67 101.80 3mbx s ASP 149 Ca -0.10 -0.16 0.09 0.00 -3.30 0.00 0.00 52.55 49.09 3mbx s ASP 149 Cb 0.17 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.41 3mbx s ASP 149 CO 0.78 -1.66 -0.24 -0.51 0.70 0.00 0.00 175.17 174.25 3mbx s ILE 150 N 5.34 1.95 -0.24 2.11 2.07 -1.26 -4.82 121.20 126.35 3mbx s ILE 150 Ca 0.39 -1.58 -0.11 0.00 -1.41 0.00 0.00 60.65 57.94 3mbx s ILE 150 Cb -0.08 -1.74 -0.05 0.00 0.13 0.00 0.00 42.46 40.72 3mbx s ILE 150 CO 0.20 0.06 0.18 0.20 -1.91 0.00 0.00 174.94 173.67 3mbx s ASN 151 N -1.84 6.13 -0.16 4.50 0.01 -0.52 -4.99 114.94 118.07 3mbx s ASN 151 Ca 0.10 0.13 -0.03 0.00 -0.71 0.00 0.00 52.86 52.35 3mbx s ASN 151 Cb -0.10 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 3mbx s ASN 151 CO 0.05 0.05 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.94 3mbx s VAL 152 N 1.11 3.64 -0.11 1.60 1.01 -1.26 -0.72 120.40 125.67 3mbx s VAL 152 Ca 0.08 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3mbx s VAL 152 Cb -0.14 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3mbx s VAL 152 CO 0.05 0.49 -0.21 -0.54 0.00 0.00 0.00 175.10 174.89 3mbx s LYS 153 N 0.51 3.14 -0.10 2.72 -0.14 0.55 -4.97 119.74 121.45 3mbx s LYS 153 Ca -0.05 -0.82 -0.03 0.00 -1.36 0.00 0.00 55.97 53.71 3mbx s LYS 153 Cb -0.15 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 3mbx s LYS 153 CO 0.03 0.16 0.03 -1.58 -0.76 0.00 0.00 175.35 173.23 3mbx s TRP 154 N 0.41 3.25 -0.01 3.18 0.52 -1.26 -0.32 118.94 124.71 3mbx s TRP 154 Ca -0.15 0.23 0.06 0.00 0.02 0.00 0.00 56.10 56.26 3mbx s TRP 154 Cb -0.17 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.29 3mbx s TRP 154 CO 0.07 0.47 -0.20 0.15 0.02 0.00 0.00 176.95 177.46 3mbx s LYS 155 N -0.76 1.61 -0.17 4.98 1.02 -0.24 -0.46 119.74 125.73 3mbx s LYS 155 Ca 0.12 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.41 3mbx s LYS 155 Cb -0.12 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 3mbx s LYS 155 CO 0.02 0.43 -0.20 0.42 -0.92 0.00 0.00 175.35 175.10 3mbx s ILE 156 N -0.47 2.12 -1.31 2.17 1.01 -0.12 -1.33 121.20 123.28 3mbx s ILE 156 Ca 0.08 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 3mbx s ILE 156 Cb -0.08 -1.88 0.09 0.00 0.01 0.00 0.00 42.46 40.61 3mbx s ILE 156 CO -0.01 0.54 0.52 0.47 0.00 0.00 0.00 174.94 176.46 3mbx n ASP 157 N 4.40 -3.49 0.00 3.58 8.00 -0.44 -1.59 116.55 127.01 3mbx n ASP 157 Ca -0.20 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.82 3mbx n ASP 157 Cb 0.51 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 38.71 3mbx n ASP 157 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mbx n GLY 158 N -1.17 1.01 3.58 0.44 0.00 -1.26 -5.03 105.19 102.75 3mbx n GLY 158 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3mbx n GLY 158 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mbx s SER 159 N -3.05 4.98 0.24 1.61 0.01 -0.62 -5.03 113.70 111.84 3mbx s SER 159 Ca 0.00 -0.02 -0.31 0.00 1.31 0.00 0.00 55.95 56.94 3mbx s SER 159 Cb 0.00 -1.62 -0.11 0.00 0.21 0.00 0.00 66.02 64.50 3mbx s SER 159 CO 0.00 0.26 1.57 -0.70 0.41 0.00 0.00 173.24 174.78 3mbx s GLU 160 N -0.17 4.18 -0.12 12.44 2.12 -1.26 -0.94 118.70 134.95 3mbx s GLU 160 Ca 0.04 2.46 0.02 0.00 0.36 0.00 0.00 54.97 57.85 3mbx s GLU 160 Cb -0.13 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.19 3mbx s GLU 160 CO 0.02 -0.59 -0.18 0.50 -0.54 0.00 0.00 175.26 174.47 3mbx s ARG 161 N 0.20 2.53 -0.05 4.30 6.06 0.39 -4.88 118.95 127.49 3mbx s ARG 161 Ca 0.66 -0.67 0.01 0.00 -2.50 0.00 0.00 55.73 53.22 3mbx s ARG 161 Cb -0.46 -2.10 -0.04 0.00 0.06 0.00 0.00 34.95 32.42 3mbx s ARG 161 CO 0.40 -0.05 -0.04 1.04 -2.50 0.00 0.00 175.30 174.16 3mbx n GLN 162 N 4.16 0.54 -1.86 5.12 1.13 -1.26 -4.06 117.38 121.15 3mbx n GLN 162 Ca -0.19 0.03 -0.41 0.00 -1.94 0.00 0.00 57.00 54.48 3mbx n GLN 162 Cb 0.51 -1.10 -0.02 0.00 0.11 0.00 0.00 30.24 29.75 3mbx n GLN 162 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3mbx s ASN 163 N -4.37 6.46 0.00 1.08 0.01 -1.26 -3.24 114.94 113.62 3mbx s ASN 163 Ca -0.06 2.88 0.00 0.00 -0.71 0.00 0.00 52.86 54.97 3mbx s ASN 163 Cb 0.02 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3mbx s ASN 163 CO 0.12 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.49 3mbx n GLY 164 N 1.82 0.74 3.70 0.66 0.00 -1.26 -4.92 105.19 105.93 3mbx n GLY 164 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3mbx n GLY 164 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mbx s VAL 165 N -2.44 5.30 -0.11 1.61 1.01 -1.20 -1.75 120.40 122.83 3mbx s VAL 165 Ca 0.00 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3mbx s VAL 165 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3mbx s VAL 165 CO 0.00 0.35 -0.19 -0.76 0.00 0.00 0.00 175.10 174.50 3mbx s LEU 166 N 0.79 2.36 0.00 3.92 1.43 0.42 -4.93 118.68 122.68 3mbx s LEU 166 Ca 0.15 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3mbx s LEU 166 Cb -0.13 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 3mbx s LEU 166 CO 0.04 0.17 -0.16 0.20 0.23 0.00 0.00 176.35 176.84 3mbx s ASN 167 N 0.27 3.93 -0.07 2.29 0.01 -1.26 -0.06 114.94 120.05 3mbx s ASN 167 Ca -0.14 -0.32 -0.05 0.00 -0.71 0.00 0.00 52.86 51.65 3mbx s ASN 167 Cb -0.17 -0.73 0.03 0.00 0.41 0.00 0.00 41.25 40.80 3mbx s ASN 167 CO 0.07 0.29 0.17 -0.55 -1.51 0.00 0.00 177.10 175.57 3mbx s SER 168 N -1.16 -0.17 -0.03 -1.22 0.15 -0.45 -4.99 113.70 105.84 3mbx s SER 168 Ca 0.14 0.35 0.02 0.00 0.70 0.00 0.00 55.95 57.16 3mbx s SER 168 Cb -0.11 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.47 3mbx s SER 168 CO 0.04 -0.11 -0.08 0.26 1.20 0.00 0.00 173.24 174.55 3mbx s TRP 169 N 0.66 2.87 0.79 3.44 0.51 -1.26 -0.60 118.94 125.36 3mbx s TRP 169 Ca -0.05 -0.04 -0.11 0.00 -2.12 0.00 0.00 56.10 53.79 3mbx s TRP 169 Cb -0.06 -1.64 0.07 0.00 -0.81 0.00 0.00 33.47 31.02 3mbx s TRP 169 CO -0.03 0.33 1.09 0.95 -0.51 0.00 0.00 176.95 178.78 3mbx s THR 170 N -0.89 3.25 0.78 2.01 -4.23 -0.47 -5.00 115.64 111.08 3mbx s THR 170 Ca 0.15 0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 3mbx s THR 170 Cb -0.11 -2.91 0.06 0.00 1.34 0.00 0.00 72.50 70.88 3mbx s THR 170 CO 0.04 -0.53 1.09 -1.81 -0.54 0.00 0.00 174.62 172.87 3mbx s ASP 171 N -3.44 4.46 0.33 3.99 -0.00 -1.26 -4.59 116.67 116.16 3mbx s ASP 171 Ca 0.61 1.80 -0.29 0.00 -0.00 0.00 0.00 52.55 54.67 3mbx s ASP 171 Cb -0.17 -2.50 -0.11 0.00 -0.00 0.00 0.00 42.92 40.14 3mbx s ASP 171 CO 0.56 -2.06 1.54 -1.58 -0.00 0.00 0.00 175.17 173.63 3mbx s GLN 172 N -4.91 4.11 0.21 8.23 0.74 -1.26 -4.78 119.66 122.00 3mbx s GLN 172 Ca 0.61 2.58 -0.31 0.00 0.05 0.00 0.00 55.36 58.29 3mbx s GLN 172 Cb -0.17 -3.00 -0.10 0.00 1.10 0.00 0.00 33.01 30.85 3mbx s GLN 172 CO 0.56 -0.58 1.46 0.34 -0.55 0.00 0.00 175.29 176.51 3mbx s ASP 173 N 0.18 6.67 0.00 6.67 2.15 0.02 -4.92 116.67 127.45 3mbx s ASP 173 Ca 0.58 2.60 0.23 0.00 0.43 0.00 0.00 52.55 56.39 3mbx s ASP 173 Cb -0.47 -2.61 1.01 0.00 -0.30 0.00 0.00 42.92 40.55 3mbx s ASP 173 CO 0.56 -0.71 1.73 -1.54 -0.17 0.00 0.00 175.17 175.03 3mbx n SER 174 N 2.94 0.00 -0.08 -0.34 3.41 -1.26 -1.80 113.62 116.49 3mbx n SER 174 Ca 0.09 0.37 -0.18 0.00 -0.26 0.00 0.00 58.87 58.89 3mbx n SER 174 Cb 0.40 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3mbx n SER 174 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3mbx n LYS 175 N -1.45 0.36 0.00 4.33 5.02 -1.26 -2.86 118.16 122.29 3mbx n LYS 175 Ca 0.07 0.15 0.06 0.00 -2.02 0.00 0.00 58.31 56.57 3mbx n LYS 175 Cb 0.25 -1.11 0.05 0.00 -0.02 0.00 0.00 35.03 34.20 3mbx n LYS 175 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3mbx n ASP 176 N -3.72 1.95 -0.68 4.39 3.85 -1.25 -4.95 116.55 116.14 3mbx n ASP 176 Ca -0.33 -1.48 -0.09 0.00 -0.71 0.00 0.00 54.79 52.19 3mbx n ASP 176 Cb 0.74 0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 40.49 3mbx n ASP 176 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3mbx n SER 177 N 0.63 -4.79 -4.93 -1.12 7.64 -0.74 -4.98 113.62 105.32 3mbx n SER 177 Ca 0.07 0.22 -0.20 0.00 1.01 0.00 0.00 58.87 59.96 3mbx n SER 177 Cb 0.29 -3.07 0.05 0.00 -1.01 0.00 0.00 64.21 60.47 3mbx n SER 177 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mbx s THR 178 N -2.09 2.56 0.28 0.44 -4.23 -1.26 -4.66 115.64 106.68 3mbx s THR 178 Ca 0.00 -0.79 0.12 0.00 -1.18 0.00 0.00 61.69 59.84 3mbx s THR 178 Cb 0.00 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 3mbx s THR 178 CO 0.00 0.00 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.59 3mbx s TYR 179 N -2.72 2.33 0.15 3.99 1.51 0.23 -0.80 117.35 122.04 3mbx s TYR 179 Ca 0.59 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 56.38 3mbx s TYR 179 Cb -0.09 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 3mbx s TYR 179 CO 0.38 0.71 -0.10 -1.12 -1.11 0.00 0.00 175.55 174.31 3mbx s SER 180 N -3.51 1.83 0.06 2.29 0.01 -1.26 -0.85 113.70 112.27 3mbx s SER 180 Ca 0.30 -1.01 -0.12 0.00 1.31 0.00 0.00 55.95 56.43 3mbx s SER 180 Cb -0.05 -0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.18 3mbx s SER 180 CO 0.15 -0.32 0.27 -0.32 0.41 0.00 0.00 173.24 173.44 3mbx s MET 181 N -3.72 0.83 0.01 12.44 0.00 -0.09 -1.37 119.30 127.40 3mbx s MET 181 Ca 0.17 -0.64 0.05 0.00 0.00 0.00 0.00 55.69 55.27 3mbx s MET 181 Cb 0.02 0.35 -0.03 0.00 0.00 0.00 0.00 34.83 35.17 3mbx s MET 181 CO 0.01 -0.27 -0.14 -1.54 0.00 0.00 0.00 175.02 173.08 3mbx s SER 182 N -2.31 4.05 -0.11 1.11 1.04 0.23 -0.79 113.70 116.92 3mbx s SER 182 Ca -0.02 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.10 3mbx s SER 182 Cb 0.01 -0.77 0.02 0.00 0.10 0.00 0.00 66.02 65.37 3mbx s SER 182 CO -0.06 0.28 -0.11 -0.55 0.98 0.00 0.00 173.24 173.78 3mbx s SER 183 N -1.29 2.25 -0.16 7.02 0.15 0.38 -1.33 113.70 120.71 3mbx s SER 183 Ca 0.15 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.45 3mbx s SER 183 Cb -0.11 -0.94 0.02 0.00 -1.71 0.00 0.00 66.02 63.28 3mbx s SER 183 CO 0.05 -0.06 -0.18 -0.89 1.20 0.00 0.00 173.24 173.36 3mbx s THR 184 N 1.38 1.89 -0.34 6.45 2.01 0.91 -0.38 115.64 127.57 3mbx s THR 184 Ca 0.00 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.00 3mbx s THR 184 Cb -0.13 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 3mbx s THR 184 CO -0.06 0.51 0.41 -0.22 -0.69 0.00 0.00 174.62 174.57 3mbx s LEU 185 N 1.28 4.37 -0.18 4.42 2.96 -0.03 -0.43 118.68 131.06 3mbx s LEU 185 Ca 0.03 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 3mbx s LEU 185 Cb -0.13 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 3mbx s LEU 185 CO -0.11 -0.36 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.64 3mbx s THR 186 N 2.13 3.71 0.33 3.68 2.01 -0.71 -0.59 115.64 126.19 3mbx s THR 186 Ca 0.14 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.79 3mbx s THR 186 Cb -0.16 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.64 3mbx s THR 186 CO 0.12 0.46 0.01 -0.76 -0.69 0.00 0.00 174.62 173.75 3mbx s LEU 187 N 0.82 2.42 0.67 4.42 1.43 -0.04 -4.83 118.68 123.57 3mbx s LEU 187 Ca -0.01 -1.31 -0.13 0.00 -1.03 0.00 0.00 54.13 51.65 3mbx s LEU 187 Cb -0.15 -0.57 -0.00 0.00 0.03 0.00 0.00 46.19 45.50 3mbx s LEU 187 CO 0.02 -0.48 1.07 0.42 0.23 0.00 0.00 176.35 177.60 3mbx s THR 188 N -3.08 3.74 0.17 5.49 -4.23 -1.26 -2.70 115.64 113.77 3mbx s THR 188 Ca 0.34 0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 61.39 3mbx s THR 188 Cb 0.07 -3.28 0.05 0.00 1.34 0.00 0.00 72.50 70.68 3mbx s THR 188 CO 0.15 -0.62 1.78 0.50 -0.54 0.00 0.00 174.62 175.88 3mbx h LYS 189 N -0.27 0.41 -0.71 3.99 3.64 -1.80 0.23 116.57 122.05 3mbx h LYS 189 Ca -0.45 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 3mbx h LYS 189 Cb 1.22 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 3mbx h LYS 189 CO 0.56 0.27 0.34 -0.44 -2.27 0.00 0.00 179.45 177.90 3mbx h ASP 190 N 0.42 0.94 -0.57 4.20 3.32 -1.93 0.77 116.42 123.58 3mbx h ASP 190 Ca 0.19 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3mbx h ASP 190 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3mbx h ASP 190 CO -0.15 0.81 0.20 -0.08 -1.72 0.00 0.00 179.24 178.31 3mbx h GLU 191 N 1.00 0.88 -0.47 3.56 4.81 -1.84 -2.30 114.58 120.21 3mbx h GLU 191 Ca 0.24 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3mbx h GLU 191 Cb 0.13 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3mbx h GLU 191 CO -0.03 0.78 0.29 -0.92 -0.73 0.00 0.00 179.01 178.40 3mbx h TYR 192 N 0.80 0.62 0.00 0.92 3.20 -0.09 -2.37 116.97 120.04 3mbx h TYR 192 Ca 0.19 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3mbx h TYR 192 Cb 0.25 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3mbx h TYR 192 CO 0.01 0.43 0.00 0.39 -1.64 0.00 0.00 178.16 177.35 3mbx n GLU 193 N -4.72 0.11 -0.02 1.82 1.02 0.22 -2.61 120.64 116.47 3mbx n GLU 193 Ca 0.02 0.19 0.13 0.00 -0.02 0.00 0.00 57.16 57.48 3mbx n GLU 193 Cb 0.05 -1.50 0.59 0.00 -0.02 0.00 0.00 31.44 30.56 3mbx n GLU 193 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mbx n ARG 194 N -1.39 1.46 -4.04 3.49 1.74 -0.89 -4.92 116.66 112.10 3mbx n ARG 194 Ca 0.05 -0.67 -0.07 0.00 -0.77 0.00 0.00 57.85 56.39 3mbx n ARG 194 Cb 0.15 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 3mbx n ARG 194 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3mbx s HIS 195 N -1.95 0.44 -0.08 -1.55 3.76 -1.07 -5.11 115.29 109.73 3mbx s HIS 195 Ca 0.38 -0.94 -0.07 0.00 -0.15 0.00 0.00 55.06 54.27 3mbx s HIS 195 Cb 0.20 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.53 3mbx s HIS 195 CO 0.31 -0.39 -0.16 -1.71 -0.85 0.00 0.00 174.74 171.94 3mbx n ASN 196 N 0.19 1.19 -4.73 1.40 2.85 -1.26 -4.70 115.26 110.20 3mbx n ASN 196 Ca -0.15 0.19 -0.38 0.00 -0.11 0.00 0.00 54.58 54.13 3mbx n ASN 196 Cb 0.61 -0.45 -0.06 0.00 1.24 0.00 0.00 39.78 41.12 3mbx n ASN 196 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3mbx s SER 197 N -6.05 6.69 -0.09 1.20 0.01 -1.26 0.69 113.70 114.90 3mbx s SER 197 Ca -0.15 0.83 0.03 0.00 1.31 0.00 0.00 55.95 57.96 3mbx s SER 197 Cb 0.04 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.99 3mbx s SER 197 CO 0.21 0.02 -0.18 -0.31 0.41 0.00 0.00 173.24 173.38 3mbx s TYR 198 N 0.54 2.06 -0.03 2.43 2.02 0.38 -1.33 117.35 123.42 3mbx s TYR 198 Ca 0.26 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 56.15 3mbx s TYR 198 Cb -0.15 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.99 3mbx s TYR 198 CO 0.10 -0.37 -0.11 0.99 -1.57 0.00 0.00 175.55 174.60 3mbx s THR 199 N 0.53 0.92 -0.15 -0.71 2.01 -0.44 -0.96 115.64 116.85 3mbx s THR 199 Ca -0.16 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.42 3mbx s THR 199 Cb -0.17 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 3mbx s THR 199 CO 0.06 0.28 -0.15 0.00 -0.69 0.00 0.00 174.62 174.12 3mbx s GLU 201 N 0.70 2.17 -0.19 0.00 2.02 0.57 -1.55 118.70 122.42 3mbx s GLU 201 Ca -0.07 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.24 3mbx s GLU 201 Cb -0.16 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 3mbx s GLU 201 CO 0.02 0.14 0.02 0.00 0.02 0.00 0.00 175.26 175.46 3mbx s ALA 202 N 0.37 3.15 -0.08 5.21 0.00 -0.06 -0.33 121.76 130.03 3mbx s ALA 202 Ca -0.13 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 50.98 3mbx s ALA 202 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 3mbx s ALA 202 CO 0.05 -0.02 -0.24 0.99 0.00 0.00 0.00 175.76 176.54 3mbx s THR 203 N 0.77 2.16 0.17 0.00 2.01 0.10 -1.30 115.64 119.55 3mbx s THR 203 Ca 0.01 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.02 3mbx s THR 203 Cb -0.14 -1.81 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 3mbx s THR 203 CO 0.02 0.56 0.07 1.57 -0.69 0.00 0.00 174.62 176.15 3mbx n HIS 204 N 3.15 0.01 0.36 4.92 -0.00 -1.26 -1.44 115.22 120.97 3mbx n HIS 204 Ca -0.18 -1.10 0.09 0.00 0.46 0.00 0.00 57.72 57.00 3mbx n HIS 204 Cb 0.52 0.01 0.25 0.00 -0.12 0.00 0.00 29.99 30.66 3mbx n HIS 204 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 3mbx n LYS 205 N -0.37 2.23 -0.06 1.57 2.85 -1.26 -4.08 118.16 119.04 3mbx n LYS 205 Ca -0.02 -1.91 -0.08 0.00 -1.05 0.00 0.00 58.31 55.25 3mbx n LYS 205 Cb 0.25 -1.43 -0.07 0.00 -0.65 0.00 0.00 35.03 33.14 3mbx n LYS 205 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3mbx h THR 206 N 3.21 0.92 -2.90 0.58 1.35 -1.93 -3.49 112.91 110.66 3mbx h THR 206 Ca 0.00 -1.72 -0.52 0.00 -0.55 0.00 0.00 66.41 63.62 3mbx h THR 206 Cb 0.73 1.77 -0.16 0.00 -1.73 0.00 0.00 68.15 68.76 3mbx h THR 206 CO 0.00 0.31 -0.76 -0.55 -0.25 0.00 0.00 175.52 174.27 3mbx s SER 207 N -5.97 2.87 -0.03 5.36 0.15 -1.26 -5.04 113.70 109.78 3mbx s SER 207 Ca -0.12 -0.96 0.12 0.00 0.70 0.00 0.00 55.95 55.69 3mbx s SER 207 Cb -0.01 -0.18 -0.23 0.00 -1.71 0.00 0.00 66.02 63.89 3mbx s SER 207 CO 0.38 -0.06 0.71 0.71 1.20 0.00 0.00 173.24 176.17 3mbx h THR 208 N 2.77 0.91 -3.35 6.45 1.35 -1.95 -3.36 112.91 115.73 3mbx h THR 208 Ca -0.40 -2.75 -0.57 0.00 -0.55 0.00 0.00 66.41 62.14 3mbx h THR 208 Cb 1.22 2.45 -0.06 0.00 -1.73 0.00 0.00 68.15 70.03 3mbx h THR 208 CO 0.57 0.52 -0.01 -0.44 -0.25 0.00 0.00 175.52 175.90 3mbx s SER 209 N -6.14 6.86 0.70 5.36 0.01 -1.26 -4.99 113.70 114.24 3mbx s SER 209 Ca -0.04 1.03 -0.12 0.00 1.31 0.00 0.00 55.95 58.12 3mbx s SER 209 Cb 0.08 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.97 3mbx s SER 209 CO 0.82 -0.06 1.08 -2.16 0.41 0.00 0.00 173.24 173.34 3mbx s PRO 210 N 0.68 2.74 -0.22 12.44 0.04 -1.26 -4.95 135.00 144.48 3mbx s PRO 210 Ca 0.32 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.38 3mbx s PRO 210 Cb -0.17 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 3mbx s PRO 210 CO 0.15 -1.26 0.29 0.42 0.04 0.00 0.00 177.00 176.64 3mbx s ILE 211 N -2.77 5.27 0.04 0.56 1.01 -0.42 -4.90 121.20 119.99 3mbx s ILE 211 Ca 0.62 0.48 0.06 0.00 0.00 0.00 0.00 60.65 61.80 3mbx s ILE 211 Cb -0.17 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3mbx s ILE 211 CO 0.50 0.30 -0.17 -0.69 0.00 0.00 0.00 174.94 174.88 3mbx s VAL 212 N 1.15 1.35 0.04 2.92 1.01 -1.26 -0.88 120.40 124.73 3mbx s VAL 212 Ca 0.14 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.10 3mbx s VAL 212 Cb -0.14 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3mbx s VAL 212 CO 0.06 0.12 -0.09 -0.54 0.00 0.00 0.00 175.10 174.65 3mbx s LYS 213 N -1.08 0.60 -0.04 2.72 -0.14 -0.59 -4.97 119.74 116.24 3mbx s LYS 213 Ca 0.04 -0.69 -0.19 0.00 -1.36 0.00 0.00 55.97 53.77 3mbx s LYS 213 Cb -0.08 -0.47 0.04 0.00 -1.68 0.00 0.00 37.83 35.64 3mbx s LYS 213 CO 0.01 0.10 0.43 0.45 -0.76 0.00 0.00 175.35 175.58 3mbx s SER 214 N -1.30 -0.35 0.07 2.83 0.15 -1.26 -1.09 113.70 112.75 3mbx s SER 214 Ca -0.05 0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.92 3mbx s SER 214 Cb -0.08 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 3mbx s SER 214 CO 0.01 -0.46 0.04 0.72 1.20 0.00 0.00 173.24 174.74 3mbx s PHE 215 N -1.11 0.50 -0.16 3.44 -0.71 -0.13 -4.99 117.98 114.82 3mbx s PHE 215 Ca -0.11 -1.00 -0.03 0.00 -1.04 0.00 0.00 56.93 54.75 3mbx s PHE 215 Cb -0.04 -0.33 -0.02 0.00 -1.21 0.00 0.00 43.02 41.42 3mbx s PHE 215 CO 0.05 -0.44 -0.05 -0.80 -1.34 0.00 0.00 175.22 172.64 3mbx s ASN 216 N -2.93 4.67 0.31 1.98 0.01 -1.26 -0.47 114.94 117.24 3mbx s ASN 216 Ca 0.10 -0.18 -0.30 0.00 -0.71 0.00 0.00 52.86 51.77 3mbx s ASN 216 Cb 0.07 -1.76 -0.12 0.00 0.41 0.00 0.00 41.25 39.85 3mbx s ASN 216 CO -0.08 0.15 1.57 -1.14 -1.51 0.00 0.00 177.10 176.09 3mbx n ARG 217 N 3.67 2.67 0.00 -0.60 0.63 0.22 -2.54 116.66 120.70 3mbx n ARG 217 Ca -0.17 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 3mbx n ARG 217 Cb 0.52 -2.71 0.00 0.00 0.45 0.00 0.00 32.46 30.72 3mbx n ARG 217 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3mbx n ASN 218 N 1.88 0.00 -2.52 6.15 4.13 -1.26 -4.86 115.26 118.78 3mbx n ASN 218 Ca 0.07 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.32 3mbx n ASN 218 Cb 0.37 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.59 3mbx n ASN 218 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3mbx n GLU 219 N 0.00 0.20 0.00 3.52 0.00 -1.05 -5.30 120.64 118.00 3mbx n GLU 219 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.01 3mbx n GLU 219 Cb 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 29.84 3mbx n GLU 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13