#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g99 s LYS 2 N 0.00 3.50 -0.12 2.12 1.02 -1.26 0.18 119.74 125.18 1g99 s LYS 2 Ca 0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.40 1g99 s LYS 2 Cb 0.00 -2.97 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1g99 s LYS 2 CO 0.00 -0.01 -0.10 0.08 -0.92 0.00 0.00 175.35 174.40 1g99 s VAL 3 N 1.02 3.34 -0.21 3.17 1.01 0.09 -1.30 120.40 127.52 1g99 s VAL 3 Ca 0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1g99 s VAL 3 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1g99 s VAL 3 CO 0.01 0.53 0.22 -0.22 0.00 0.00 0.00 175.10 175.63 1g99 s LEU 4 N 0.12 4.16 -0.16 3.92 2.96 -0.53 -0.59 118.68 128.56 1g99 s LEU 4 Ca -0.05 0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1g99 s LEU 4 Cb -0.14 -2.22 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 1g99 s LEU 4 CO 0.04 0.06 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.38 1g99 s VAL 5 N 0.90 3.58 -0.04 1.68 1.01 0.06 0.04 120.40 127.63 1g99 s VAL 5 Ca 0.11 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.69 1g99 s VAL 5 Cb -0.13 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1g99 s VAL 5 CO 0.04 0.49 -0.22 -0.63 0.00 0.00 0.00 175.10 174.78 1g99 s ILE 6 N 0.53 2.36 -0.24 2.22 -1.09 0.43 -1.93 121.20 123.48 1g99 s ILE 6 Ca -0.05 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.35 1g99 s ILE 6 Cb -0.15 -1.86 0.08 0.00 -1.58 0.00 0.00 42.46 38.96 1g99 s ILE 6 CO 0.03 0.58 0.10 0.21 -1.23 0.00 0.00 174.94 174.64 1g99 s ASN 7 N -0.55 3.08 -0.13 3.58 3.84 -0.53 -1.63 114.94 122.59 1g99 s ASN 7 Ca 0.08 -1.02 -0.06 0.00 0.21 0.00 0.00 52.86 52.07 1g99 s ASN 7 Cb -0.11 -0.37 -0.04 0.00 -0.55 0.00 0.00 41.25 40.19 1g99 s ASN 7 CO 0.00 -0.39 0.07 0.00 -2.79 0.00 0.00 177.10 173.99 1g99 s ALA 8 N 2.06 3.53 0.53 1.71 0.00 -1.26 -1.39 121.76 126.93 1g99 s ALA 8 Ca 0.06 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1g99 s ALA 8 Cb -0.16 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.16 1g99 s ALA 8 CO -0.23 0.45 0.14 0.20 0.00 0.00 0.00 175.76 176.32 1g99 s GLY 9 N -0.48 2.83 0.22 0.00 0.00 -0.57 -4.08 107.32 105.24 1g99 s GLY 9 Ca 0.10 -0.57 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 1g99 s GLY 9 CO 0.02 -2.12 1.68 1.76 0.00 0.00 0.00 173.10 174.44 1g99 h SER 10 N 1.11 -0.15 0.00 1.64 0.02 -1.92 -3.20 113.55 111.05 1g99 h SER 10 Ca -0.41 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1g99 h SER 10 Cb 1.32 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1g99 h SER 10 CO 0.68 -0.07 -0.23 -1.54 -1.14 0.00 0.00 176.83 174.53 1g99 n SER 11 N -5.22 1.05 -4.10 3.07 3.41 -1.26 -4.93 113.62 105.64 1g99 n SER 11 Ca 0.10 -2.33 -0.16 0.00 -0.26 0.00 0.00 58.87 56.22 1g99 n SER 11 Cb 0.37 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 1g99 n SER 11 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1g99 s SER 12 N -1.63 1.08 -0.30 4.04 1.04 -1.21 -0.93 113.70 115.79 1g99 s SER 12 Ca 0.12 -1.47 -0.04 0.00 0.48 0.00 0.00 55.95 55.04 1g99 s SER 12 Cb 0.11 0.33 0.18 0.00 0.10 0.00 0.00 66.02 66.74 1g99 s SER 12 CO 0.01 -0.84 0.67 -0.22 0.98 0.00 0.00 173.24 173.84 1g99 s LEU 13 N -3.30 -1.24 0.00 2.42 2.96 -0.32 -1.51 118.68 117.69 1g99 s LEU 13 Ca 0.37 0.87 -0.07 0.00 -0.22 0.00 0.00 54.13 55.08 1g99 s LEU 13 Cb 0.06 2.08 -0.05 0.00 0.50 0.00 0.00 46.19 48.78 1g99 s LEU 13 CO 0.16 -0.23 0.28 -0.54 -1.32 0.00 0.00 176.35 174.69 1g99 s LYS 14 N 2.87 3.60 0.08 1.98 1.02 -0.49 -0.95 119.74 127.85 1g99 s LYS 14 Ca 0.15 -0.03 -0.08 0.00 0.02 0.00 0.00 55.97 56.04 1g99 s LYS 14 Cb -0.14 -3.09 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 1g99 s LYS 14 CO -0.20 0.66 0.16 1.52 -0.92 0.00 0.00 175.35 176.57 1g99 s TYR 15 N -1.27 0.19 -0.11 3.18 1.13 -0.88 -1.45 117.35 118.14 1g99 s TYR 15 Ca 0.27 -0.63 -0.10 0.00 -1.41 0.00 0.00 57.07 55.19 1g99 s TYR 15 Cb -0.13 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.66 1g99 s TYR 15 CO 0.15 -0.52 0.29 -0.65 -2.51 0.00 0.00 175.55 172.31 1g99 s GLN 16 N -3.82 0.34 -0.24 -3.49 -0.21 -0.81 -1.05 119.66 110.39 1g99 s GLN 16 Ca 0.05 0.40 -0.04 0.00 0.02 0.00 0.00 55.36 55.79 1g99 s GLN 16 Cb 0.05 0.17 -0.00 0.00 1.00 0.00 0.00 33.01 34.22 1g99 s GLN 16 CO -0.11 -0.04 -0.02 -1.17 -2.12 0.00 0.00 175.29 171.83 1g99 s LEU 17 N 0.15 3.09 -0.09 2.90 2.96 -0.59 -0.76 118.68 126.33 1g99 s LEU 17 Ca -0.00 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1g99 s LEU 17 Cb -0.02 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1g99 s LEU 17 CO 0.00 -0.06 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.13 1g99 s ILE 18 N 1.46 2.31 -0.32 6.68 1.01 0.24 -0.92 121.20 131.66 1g99 s ILE 18 Ca 0.05 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 1g99 s ILE 18 Cb -0.15 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1g99 s ILE 18 CO -0.02 0.56 0.78 -0.62 0.00 0.00 0.00 174.94 175.63 1g99 s ASP 19 N 0.17 6.62 0.00 3.58 -1.08 -0.22 -0.73 116.67 125.01 1g99 s ASP 19 Ca -0.12 0.56 0.25 0.00 -0.52 0.00 0.00 52.55 52.72 1g99 s ASP 19 Cb -0.16 -2.40 1.14 0.00 -1.46 0.00 0.00 42.92 40.04 1g99 s ASP 19 CO 0.07 -0.64 1.82 0.23 0.52 0.00 0.00 175.17 177.17 1g99 n MET 20 N 6.25 0.12 -0.10 4.34 2.81 0.13 -0.45 117.12 130.22 1g99 n MET 20 Ca 0.03 0.06 0.01 0.00 -1.81 0.00 0.00 57.70 55.99 1g99 n MET 20 Cb 0.48 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.79 1g99 n MET 20 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1g99 h THR 21 N 0.00 1.18 0.00 2.03 2.02 -1.92 -3.31 112.91 112.91 1g99 h THR 21 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1g99 h THR 21 Cb 0.37 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1g99 h THR 21 CO 0.00 0.20 0.00 -0.46 0.37 0.00 0.00 175.52 175.63 1g99 n ASN 22 N -4.38 0.18 -3.56 4.18 2.04 -1.21 -5.02 115.26 107.49 1g99 n ASN 22 Ca 0.05 -1.07 -0.23 0.00 -0.44 0.00 0.00 54.58 52.89 1g99 n ASN 22 Cb 0.12 0.00 0.08 0.00 -2.53 0.00 0.00 39.78 37.45 1g99 n ASN 22 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1g99 n GLU 23 N -0.03 -7.80 -3.65 -3.83 1.02 0.41 -5.00 120.64 101.76 1g99 n GLU 23 Ca 0.00 0.83 -0.37 0.00 -0.02 0.00 0.00 57.16 57.60 1g99 n GLU 23 Cb 0.37 -5.86 -0.06 0.00 -0.02 0.00 0.00 31.44 25.87 1g99 n GLU 23 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1g99 s SER 24 N -3.43 6.51 -0.60 1.62 0.15 -0.88 -4.89 113.70 112.18 1g99 s SER 24 Ca 0.52 0.61 -0.25 0.00 0.70 0.00 0.00 55.95 57.53 1g99 s SER 24 Cb -0.23 -2.16 0.04 0.00 -1.71 0.00 0.00 66.02 61.96 1g99 s SER 24 CO 0.72 0.26 1.05 0.00 1.20 0.00 0.00 173.24 176.48 1g99 s ALA 25 N -0.44 3.06 0.13 5.45 0.00 -1.26 -1.06 121.76 127.65 1g99 s ALA 25 Ca 0.17 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1g99 s ALA 25 Cb -0.14 -3.90 -0.06 0.00 0.00 0.00 0.00 23.12 19.03 1g99 s ALA 25 CO 0.06 -2.64 1.46 -0.07 0.00 0.00 0.00 175.76 174.57 1g99 h LEU 26 N 11.54 0.96 -7.41 0.00 3.38 -1.40 -3.41 115.31 118.96 1g99 h LEU 26 Ca -0.27 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.10 1g99 h LEU 26 Cb 1.07 -0.27 -0.23 0.00 0.09 0.00 0.00 40.66 41.32 1g99 h LEU 26 CO 1.15 1.24 -0.28 0.00 0.09 0.00 0.00 178.44 180.64 1g99 s ALA 27 N -4.37 -0.87 -0.04 1.53 0.00 -1.20 -1.03 121.76 115.79 1g99 s ALA 27 Ca -0.11 0.77 0.04 0.00 0.00 0.00 0.00 51.96 52.66 1g99 s ALA 27 Cb 0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 1g99 s ALA 27 CO 0.87 -0.21 -0.14 0.08 0.00 0.00 0.00 175.76 176.36 1g99 s VAL 28 N -0.39 1.22 0.29 0.00 1.01 -0.16 -1.55 120.40 120.82 1g99 s VAL 28 Ca -0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1g99 s VAL 28 Cb -0.03 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1g99 s VAL 28 CO 0.02 0.36 0.38 -0.83 0.00 0.00 0.00 175.10 175.04 1g99 s GLY 29 N 0.12 1.34 -0.20 4.51 0.00 -0.21 -0.26 107.32 112.62 1g99 s GLY 29 Ca -0.04 -1.46 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1g99 s GLY 29 CO 0.02 -1.04 0.49 -2.27 0.00 0.00 0.00 173.10 170.30 1g99 s LEU 30 N -3.18 -0.35 -0.17 0.66 2.96 0.00 -2.08 118.68 116.52 1g99 s LEU 30 Ca 0.31 1.08 -0.04 0.00 -0.22 0.00 0.00 54.13 55.26 1g99 s LEU 30 Cb 0.01 1.66 -0.03 0.00 0.50 0.00 0.00 46.19 48.33 1g99 s LEU 30 CO 0.17 -0.21 -0.03 0.00 -1.32 0.00 0.00 176.35 174.96 1g99 s GLU 32 N 0.63 1.58 -1.47 0.00 2.02 0.10 -1.18 118.70 120.37 1g99 s GLU 32 Ca -0.02 -1.80 -0.07 0.00 0.02 0.00 0.00 54.97 53.10 1g99 s GLU 32 Cb -0.14 -1.22 0.02 0.00 0.10 0.00 0.00 34.13 32.89 1g99 s GLU 32 CO 0.02 0.05 0.82 0.54 0.02 0.00 0.00 175.26 176.71 1g99 n ARG 33 N -0.61 -5.77 -2.25 1.61 1.74 -0.86 -2.43 116.66 108.10 1g99 n ARG 33 Ca -0.05 0.81 -0.41 0.00 -0.77 0.00 0.00 57.85 57.43 1g99 n ARG 33 Cb 0.63 -5.72 -0.03 0.00 -1.02 0.00 0.00 32.46 26.32 1g99 n ARG 33 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1g99 s ILE 34 N -3.21 3.15 0.00 0.55 1.01 -0.10 -2.16 121.20 120.44 1g99 s ILE 34 Ca 0.44 1.03 0.00 0.00 0.00 0.00 0.00 60.65 62.12 1g99 s ILE 34 Cb -0.20 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1g99 s ILE 34 CO 0.55 0.20 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1g99 n GLY 35 N 1.72 0.58 1.19 6.18 0.00 0.15 -4.68 105.19 110.33 1g99 n GLY 35 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1g99 n GLY 35 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1g99 n ILE 36 N -2.45 0.00 -3.49 -0.61 5.41 -0.92 -5.00 119.36 112.30 1g99 n ILE 36 Ca 0.00 -0.81 -0.28 0.00 1.00 0.00 0.00 62.75 62.66 1g99 n ILE 36 Cb 0.06 0.21 -0.03 0.00 -0.71 0.00 0.00 39.64 39.16 1g99 n ILE 36 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1g99 s ASP 37 N -1.91 6.43 -0.97 4.38 1.01 -1.26 -4.43 116.67 119.93 1g99 s ASP 37 Ca 0.02 0.60 -0.01 0.00 0.71 0.00 0.00 52.55 53.87 1g99 s ASP 37 Cb 0.00 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.84 1g99 s ASP 37 CO 0.02 -0.12 0.81 0.59 0.21 0.00 0.00 175.17 176.68 1g99 n ASN 38 N -0.76 -2.48 -4.75 0.27 3.02 -1.26 -4.97 115.26 104.33 1g99 n ASN 38 Ca -0.03 -0.48 -0.32 0.00 -0.03 0.00 0.00 54.58 53.72 1g99 n ASN 38 Cb 0.54 -4.16 0.09 0.00 -0.61 0.00 0.00 39.78 35.63 1g99 n ASN 38 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1g99 s SER 39 N -3.97 4.42 -0.18 6.41 0.01 -1.22 -4.85 113.70 114.32 1g99 s SER 39 Ca 0.06 2.05 -0.17 0.00 1.31 0.00 0.00 55.95 59.20 1g99 s SER 39 Cb -0.03 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.70 1g99 s SER 39 CO 0.58 -2.09 0.49 -0.51 0.41 0.00 0.00 173.24 172.11 1g99 s ILE 40 N -2.48 0.00 -0.06 1.44 2.07 -1.02 -2.77 121.20 118.38 1g99 s ILE 40 Ca 0.67 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.95 1g99 s ILE 40 Cb -0.22 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.68 1g99 s ILE 40 CO 0.49 -0.00 -0.23 -0.51 -1.91 0.00 0.00 174.94 172.77 1g99 s ILE 41 N 0.22 1.91 -0.04 2.00 2.07 -0.90 -0.72 121.20 125.74 1g99 s ILE 41 Ca -0.00 -0.98 0.04 0.00 -1.41 0.00 0.00 60.65 58.30 1g99 s ILE 41 Cb -0.03 -1.63 -0.00 0.00 0.13 0.00 0.00 42.46 40.93 1g99 s ILE 41 CO 0.01 0.53 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.51 1g99 s THR 42 N -0.04 1.43 -0.00 4.00 2.01 -0.25 -1.56 115.64 121.22 1g99 s THR 42 Ca -0.06 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.25 1g99 s THR 42 Cb -0.14 -1.23 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1g99 s THR 42 CO 0.04 0.41 -0.08 -1.58 -0.69 0.00 0.00 174.62 172.72 1g99 s GLN 43 N 0.05 0.64 -0.15 4.92 0.74 0.04 -0.82 119.66 125.09 1g99 s GLN 43 Ca -0.04 -0.33 0.02 0.00 0.05 0.00 0.00 55.36 55.06 1g99 s GLN 43 Cb -0.12 -0.61 0.01 0.00 1.10 0.00 0.00 33.01 33.40 1g99 s GLN 43 CO 0.02 0.16 -0.21 0.21 -0.55 0.00 0.00 175.29 174.93 1g99 s LYS 44 N -0.32 2.94 0.29 1.67 2.36 0.64 -0.59 119.74 126.73 1g99 s LYS 44 Ca 0.02 -0.82 -0.03 0.00 -2.55 0.00 0.00 55.97 52.59 1g99 s LYS 44 Cb -0.04 -2.41 -0.05 0.00 -1.05 0.00 0.00 37.83 34.29 1g99 s LYS 44 CO -0.00 -0.06 0.53 0.21 1.55 0.00 0.00 175.35 177.58 1g99 s LYS 45 N 0.93 3.58 0.53 4.03 2.20 0.11 -0.99 119.74 130.13 1g99 s LYS 45 Ca -0.04 -0.12 0.28 0.00 -0.36 0.00 0.00 55.97 55.73 1g99 s LYS 45 Cb -0.15 -2.67 1.42 0.00 -1.51 0.00 0.00 37.83 34.92 1g99 s LYS 45 CO -0.04 0.22 1.94 0.27 -0.36 0.00 0.00 175.35 177.38 1g99 h PHE 46 N 1.50 0.03 -0.24 4.03 -5.15 -1.31 -0.49 116.94 115.31 1g99 h PHE 46 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 1g99 h PHE 46 Cb 1.20 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.36 1g99 h PHE 46 CO 0.56 0.01 0.00 -0.40 -2.00 0.00 0.00 178.31 176.48 1g99 n ASP 47 N -4.33 1.81 0.00 -0.68 5.68 -1.26 -4.89 116.55 112.87 1g99 n ASP 47 Ca 0.14 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1g99 n ASP 47 Cb 0.78 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1g99 n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1g99 n GLY 48 N 0.69 1.25 3.73 6.12 0.00 -0.19 -5.04 105.19 111.74 1g99 n GLY 48 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1g99 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g99 s LYS 49 N -0.56 4.34 -0.08 1.61 1.02 -1.25 -4.77 119.74 120.05 1g99 s LYS 49 Ca 0.00 2.13 0.05 0.00 0.02 0.00 0.00 55.97 58.17 1g99 s LYS 49 Cb 0.00 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1g99 s LYS 49 CO 0.00 -0.35 -0.23 0.21 -0.92 0.00 0.00 175.35 174.05 1g99 s LYS 50 N 0.20 2.82 -0.04 1.68 2.20 -1.26 -0.71 119.74 124.63 1g99 s LYS 50 Ca 0.60 -0.87 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 1g99 s LYS 50 Cb -0.38 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1g99 s LYS 50 CO 0.37 0.30 -0.17 -1.17 -0.36 0.00 0.00 175.35 174.32 1g99 s LEU 51 N 0.06 2.59 -0.01 5.43 2.96 0.24 -4.98 118.68 124.97 1g99 s LEU 51 Ca -0.10 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1g99 s LEU 51 Cb -0.15 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1g99 s LEU 51 CO 0.06 0.33 0.02 -0.70 -1.32 0.00 0.00 176.35 174.74 1g99 s GLU 52 N -0.77 -0.02 -0.06 1.98 2.12 -1.26 -0.78 118.70 119.90 1g99 s GLU 52 Ca 0.11 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.56 1g99 s GLU 52 Cb -0.10 -0.15 0.02 0.00 0.26 0.00 0.00 34.13 34.16 1g99 s GLU 52 CO 0.01 -0.10 -0.04 0.21 -0.54 0.00 0.00 175.26 174.80 1g99 s LYS 53 N 0.64 0.85 -0.41 4.30 2.20 -0.60 -5.01 119.74 121.72 1g99 s LYS 53 Ca -0.05 -0.06 -0.18 0.00 -0.36 0.00 0.00 55.97 55.32 1g99 s LYS 53 Cb -0.08 -0.97 0.02 0.00 -1.51 0.00 0.00 37.83 35.29 1g99 s LYS 53 CO -0.02 -0.17 0.46 -0.51 -0.36 0.00 0.00 175.35 174.76 1g99 s LEU 54 N 1.32 4.72 0.11 5.43 2.01 -1.26 -2.11 118.68 128.91 1g99 s LEU 54 Ca -0.04 -0.52 -0.14 0.00 0.01 0.00 0.00 54.13 53.43 1g99 s LEU 54 Cb -0.14 -2.44 0.03 0.00 0.01 0.00 0.00 46.19 43.65 1g99 s LEU 54 CO -0.02 -0.57 0.35 0.28 1.01 0.00 0.00 176.35 177.39 1g99 s THR 55 N 2.24 0.09 -0.10 5.49 -1.32 -1.11 -5.03 115.64 115.89 1g99 s THR 55 Ca 0.14 -0.73 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 1g99 s THR 55 Cb -0.16 -1.21 -0.01 0.00 -1.51 0.00 0.00 72.50 69.60 1g99 s THR 55 CO 0.14 -0.40 1.03 -0.62 -2.21 0.00 0.00 174.62 172.56 1g99 s ASP 56 N -2.81 7.21 -0.60 8.08 2.15 -1.26 -3.45 116.67 125.99 1g99 s ASP 56 Ca 0.03 1.56 0.04 0.00 0.43 0.00 0.00 52.55 54.62 1g99 s ASP 56 Cb 0.03 -2.56 0.15 0.00 -0.30 0.00 0.00 42.92 40.24 1g99 s ASP 56 CO -0.12 -0.48 0.36 -0.76 -0.17 0.00 0.00 175.17 174.00 1g99 s LEU 57 N 2.10 4.51 0.18 -1.34 1.43 -1.26 -4.95 118.68 119.34 1g99 s LEU 57 Ca 0.49 -3.36 -0.12 0.00 -1.03 0.00 0.00 54.13 50.10 1g99 s LEU 57 Cb -0.19 -1.63 0.09 0.00 0.03 0.00 0.00 46.19 44.48 1g99 s LEU 57 CO 0.18 -0.17 1.78 -0.65 0.23 0.00 0.00 176.35 177.72 1g99 h PRO 58 N 6.04 0.85 -4.78 1.29 0.11 -1.92 0.42 132.00 134.01 1g99 h PRO 58 Ca 0.01 -0.11 -0.29 0.00 0.11 0.00 0.00 66.00 65.73 1g99 h PRO 58 Cb 0.83 -0.16 -0.15 0.00 0.11 0.00 0.00 31.00 31.64 1g99 h PRO 58 CO 0.70 0.66 -0.65 0.95 -0.21 0.00 0.00 178.00 179.45 1g99 s THR 59 N -5.81 0.57 0.58 -1.15 -4.23 -1.26 -3.03 115.64 101.31 1g99 s THR 59 Ca -0.13 -1.98 0.27 0.00 -1.18 0.00 0.00 61.69 58.68 1g99 s THR 59 Cb 0.13 -2.25 0.35 0.00 1.34 0.00 0.00 72.50 72.07 1g99 s THR 59 CO 0.78 -0.35 2.16 0.45 -0.54 0.00 0.00 174.62 177.12 1g99 h HIS 60 N 2.64 0.00 -0.35 3.99 3.86 -1.90 -0.55 115.15 122.83 1g99 h HIS 60 Ca -0.37 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.72 1g99 h HIS 60 Cb 1.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1g99 h HIS 60 CO 0.50 0.00 -0.26 -0.22 0.86 0.00 0.00 177.93 178.80 1g99 h LYS 61 N 0.00 0.72 -0.24 2.45 3.64 -1.90 -0.92 116.57 120.31 1g99 h LYS 61 Ca 0.05 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 1g99 h LYS 61 Cb 0.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1g99 h LYS 61 CO -0.00 0.91 -0.12 -0.44 -2.27 0.00 0.00 179.45 177.53 1g99 h ASP 62 N 0.62 0.52 -0.51 4.20 3.32 -1.52 -2.00 116.42 121.06 1g99 h ASP 62 Ca 0.08 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.75 1g99 h ASP 62 Cb 0.77 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1g99 h ASP 62 CO 0.06 0.82 0.28 0.00 -1.72 0.00 0.00 179.24 178.68 1g99 h ALA 63 N 0.72 0.66 -0.15 3.45 0.00 -1.27 -1.60 119.26 121.06 1g99 h ALA 63 Ca 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1g99 h ALA 63 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1g99 h ALA 63 CO 0.04 -0.05 -0.16 1.25 0.00 0.00 0.00 179.25 180.32 1g99 h LEU 64 N 0.55 0.24 -0.53 0.00 5.85 -1.06 0.11 115.31 120.46 1g99 h LEU 64 Ca 0.22 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1g99 h LEU 64 Cb 0.09 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1g99 h LEU 64 CO -0.13 0.42 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.29 1g99 h GLU 65 N 0.23 0.96 -0.52 1.25 4.81 -0.68 -2.03 114.58 118.60 1g99 h GLU 65 Ca 0.04 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1g99 h GLU 65 Cb 0.43 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1g99 h GLU 65 CO 0.03 0.98 -0.13 0.93 -0.73 0.00 0.00 179.01 180.09 1g99 h GLU 66 N 0.83 1.00 -0.61 1.92 4.39 -0.38 -2.08 114.58 119.65 1g99 h GLU 66 Ca 0.15 -0.39 0.09 0.00 0.34 0.00 0.00 59.36 59.55 1g99 h GLU 66 Cb 0.56 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.09 1g99 h GLU 66 CO 0.03 1.07 0.25 0.28 -1.16 0.00 0.00 179.01 179.48 1g99 h VAL 67 N 0.87 0.80 -0.69 3.13 2.07 -0.57 0.18 116.25 122.04 1g99 h VAL 67 Ca 0.13 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1g99 h VAL 67 Cb 0.70 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1g99 h VAL 67 CO 0.05 0.08 0.20 0.58 0.02 0.00 0.00 177.57 178.51 1g99 h VAL 68 N 0.44 1.26 -0.69 2.57 2.07 -1.15 -0.64 116.25 120.11 1g99 h VAL 68 Ca 0.30 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1g99 h VAL 68 Cb 0.35 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1g99 h VAL 68 CO -0.28 0.35 0.19 0.11 0.02 0.00 0.00 177.57 177.95 1g99 h LYS 69 N 1.02 1.09 -0.21 1.57 1.57 -0.56 -2.22 116.57 118.82 1g99 h LYS 69 Ca 0.22 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1g99 h LYS 69 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1g99 h LYS 69 CO -0.00 0.95 -0.28 0.00 -0.57 0.00 0.00 179.45 179.55 1g99 h ALA 70 N 1.09 1.12 0.00 3.86 0.00 -0.37 -2.12 119.26 122.84 1g99 h ALA 70 Ca 0.22 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1g99 h ALA 70 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1g99 h ALA 70 CO -0.00 0.55 -0.32 -0.07 0.00 0.00 0.00 179.25 179.41 1g99 h LEU 71 N 0.37 0.00 -2.14 0.00 3.38 -0.89 -3.15 115.31 112.87 1g99 h LEU 71 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1g99 h LEU 71 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1g99 h LEU 71 CO 0.05 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.25 1g99 n THR 72 N -3.42 0.31 -1.66 0.22 -2.24 -0.86 -0.72 114.28 105.91 1g99 n THR 72 Ca 0.00 -0.65 -0.45 0.00 -2.27 0.00 0.00 64.05 60.68 1g99 n THR 72 Cb 0.50 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1g99 n THR 72 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1g99 n ASP 73 N 1.35 2.62 -0.17 3.42 -0.08 -0.82 -4.81 116.55 118.05 1g99 n ASP 73 Ca 0.16 1.14 -0.02 0.00 -1.51 0.00 0.00 54.79 54.56 1g99 n ASP 73 Cb 0.57 -1.41 0.05 0.00 2.34 0.00 0.00 41.12 42.67 1g99 n ASP 73 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1g99 h ASP 74 N 4.09 -0.44 0.00 1.67 3.32 -1.92 -0.21 116.42 122.94 1g99 h ASP 74 Ca -0.45 0.15 -0.37 0.00 0.02 0.00 0.00 57.03 56.38 1g99 h ASP 74 Cb 1.28 0.31 -0.07 0.00 0.22 0.00 0.00 39.33 41.07 1g99 h ASP 74 CO 0.75 -0.16 -2.41 1.21 -1.72 0.00 0.00 179.24 176.91 1g99 n GLU 75 N -5.35 0.67 0.00 3.56 2.13 -1.26 -4.56 120.64 115.83 1g99 n GLU 75 Ca 0.05 0.11 0.12 0.00 0.66 0.00 0.00 57.16 58.11 1g99 n GLU 75 Cb 0.28 -1.50 0.17 0.00 0.27 0.00 0.00 31.44 30.66 1g99 n GLU 75 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1g99 n PHE 76 N -3.12 0.00 -2.42 4.31 3.01 -1.25 -4.95 117.46 113.04 1g99 n PHE 76 Ca -0.42 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 57.91 1g99 n PHE 76 Cb 1.01 -0.02 0.07 0.00 -0.01 0.00 0.00 39.48 40.52 1g99 n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1g99 n GLY 77 N 1.35 0.63 0.00 1.37 0.00 -0.09 -4.70 105.19 103.75 1g99 n GLY 77 Ca 0.13 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1g99 n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g99 n VAL 78 N -2.23 0.00 -4.01 1.61 0.24 0.11 -4.87 118.33 109.18 1g99 n VAL 78 Ca 0.09 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.34 62.18 1g99 n VAL 78 Cb 0.33 1.64 -0.10 0.00 -1.47 0.00 0.00 33.84 34.24 1g99 n VAL 78 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1g99 s ILE 79 N -0.04 0.17 -0.03 1.34 -4.36 -0.92 -5.06 121.20 112.31 1g99 s ILE 79 Ca 0.00 -1.41 -0.20 0.00 -0.26 0.00 0.00 60.65 58.78 1g99 s ILE 79 Cb 0.00 -1.13 -0.32 0.00 1.25 0.00 0.00 42.46 42.25 1g99 s ILE 79 CO 0.00 -0.78 0.89 0.50 0.24 0.00 0.00 174.94 175.79 1g99 h LYS 80 N 3.48 0.36 -3.89 0.37 3.64 -1.88 -3.36 116.57 115.30 1g99 h LYS 80 Ca -0.33 -0.62 -0.10 0.00 -1.27 0.00 0.00 60.65 58.32 1g99 h LYS 80 Cb 1.17 0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 33.09 1g99 h LYS 80 CO 0.57 1.30 -0.36 0.16 -2.27 0.00 0.00 179.45 178.85 1g99 s ASP 81 N -7.15 0.09 0.47 4.20 -4.77 -1.26 -4.89 116.67 103.36 1g99 s ASP 81 Ca -0.13 -0.80 0.29 0.00 -3.30 0.00 0.00 52.55 48.61 1g99 s ASP 81 Cb 0.02 0.39 1.35 0.00 -1.09 0.00 0.00 42.92 43.59 1g99 s ASP 81 CO 0.86 -0.82 1.76 -0.03 0.70 0.00 0.00 175.17 177.64 1g99 h MET 82 N 2.65 0.17 0.00 2.11 1.85 -1.93 0.23 114.93 120.01 1g99 h MET 82 Ca -0.33 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.75 1g99 h MET 82 Cb 1.21 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.21 1g99 h MET 82 CO 0.52 0.11 0.00 0.41 -0.40 0.00 0.00 176.91 177.56 1g99 n GLY 83 N -1.62 -0.69 0.03 1.39 0.00 -1.26 -1.50 105.19 101.54 1g99 n GLY 83 Ca 0.27 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.46 1g99 n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g99 n GLU 84 N -1.66 0.10 -2.69 1.61 1.02 0.07 -4.57 120.64 114.50 1g99 n GLU 84 Ca 0.00 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 1g99 n GLU 84 Cb 0.05 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 1g99 n GLU 84 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1g99 s ILE 85 N -3.04 4.27 0.04 -3.67 1.01 -0.56 -4.45 121.20 114.79 1g99 s ILE 85 Ca 0.12 0.88 0.11 0.00 0.00 0.00 0.00 60.65 61.76 1g99 s ILE 85 Cb 0.17 -4.57 -0.09 0.00 0.01 0.00 0.00 42.46 37.97 1g99 s ILE 85 CO 0.58 -1.05 1.38 0.78 0.00 0.00 0.00 174.94 176.63 1g99 h ASN 86 N 9.27 0.00 -5.01 3.58 -0.26 -1.44 -3.48 115.58 118.24 1g99 h ASN 86 Ca -0.24 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.51 1g99 h ASN 86 Cb 1.07 0.00 -0.09 0.00 -1.06 0.00 0.00 38.32 38.23 1g99 h ASN 86 CO 1.11 0.78 0.20 0.00 -1.06 0.00 0.00 177.43 178.45 1g99 s ALA 87 N -2.90 -1.38 -0.05 -0.83 0.00 -1.21 -4.25 121.76 111.14 1g99 s ALA 87 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1g99 s ALA 87 Cb 0.09 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.08 1g99 s ALA 87 CO 0.78 -0.87 -0.16 0.08 0.00 0.00 0.00 175.76 175.59 1g99 s VAL 88 N -3.83 1.37 -0.10 0.00 1.01 -0.38 -1.45 120.40 117.02 1g99 s VAL 88 Ca 0.06 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1g99 s VAL 88 Cb -0.03 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1g99 s VAL 88 CO -0.04 0.40 -0.16 -0.83 0.00 0.00 0.00 175.10 174.47 1g99 s GLY 89 N 0.21 1.49 -0.03 4.51 0.00 0.11 -0.56 107.32 113.04 1g99 s GLY 89 Ca -0.07 -0.93 0.05 0.00 0.00 0.00 0.00 44.72 43.77 1g99 s GLY 89 CO 0.03 -0.35 -0.17 0.30 0.00 0.00 0.00 173.10 172.90 1g99 s HIS 90 N 0.10 2.60 -0.14 1.90 3.76 -0.46 -0.42 115.29 122.63 1g99 s HIS 90 Ca -0.07 -0.23 -0.22 0.00 -0.15 0.00 0.00 55.06 54.39 1g99 s HIS 90 Cb -0.15 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 1g99 s HIS 90 CO 0.05 0.15 0.65 0.50 -0.85 0.00 0.00 174.74 175.24 1g99 s ARG 91 N -0.81 4.32 -0.06 1.40 3.52 -0.65 -2.26 118.95 124.42 1g99 s ARG 91 Ca 0.12 0.72 0.01 0.00 -0.13 0.00 0.00 55.73 56.45 1g99 s ARG 91 Cb -0.10 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1g99 s ARG 91 CO 0.01 -0.08 -0.06 0.08 -0.81 0.00 0.00 175.30 174.44 1g99 s VAL 92 N 1.35 0.70 -0.03 7.11 1.01 -1.05 -4.73 120.40 124.76 1g99 s VAL 92 Ca 0.32 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1g99 s VAL 92 Cb -0.16 -0.71 -0.17 0.00 0.00 0.00 0.00 36.38 35.34 1g99 s VAL 92 CO 0.13 0.27 1.03 0.58 0.00 0.00 0.00 175.10 177.11 1g99 h VAL 93 N 6.11 0.94 -3.27 2.92 2.07 -1.89 -1.82 116.25 121.31 1g99 h VAL 93 Ca -0.34 -1.04 -0.65 0.00 0.82 0.00 0.00 66.70 65.49 1g99 h VAL 93 Cb 1.16 1.52 -0.34 0.00 -1.52 0.00 0.00 31.29 32.11 1g99 h VAL 93 CO 0.45 0.22 -0.86 -2.28 0.02 0.00 0.00 177.57 175.12 1g99 s HIS 94 N -3.85 2.41 -0.83 1.57 2.46 -1.26 -3.42 115.29 112.37 1g99 s HIS 94 Ca -0.14 -1.11 0.07 0.00 0.47 0.00 0.00 55.06 54.35 1g99 s HIS 94 Cb 0.01 -1.65 0.07 0.00 -0.13 0.00 0.00 32.58 30.88 1g99 s HIS 94 CO 0.54 -0.50 0.77 0.41 -2.47 0.00 0.00 174.74 173.48 1g99 n GLY 95 N 3.90 -0.38 7.00 1.59 0.00 -1.26 -4.68 105.19 111.36 1g99 n GLY 95 Ca -0.20 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1g99 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g99 n GLY 96 N 0.36 -0.06 0.26 -0.02 0.00 -1.26 -2.99 105.19 101.48 1g99 n GLY 96 Ca 0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1g99 n GLY 96 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1g99 h GLU 97 N 0.00 0.89 -0.23 1.61 4.81 -1.98 -3.30 114.58 116.37 1g99 h GLU 97 Ca 0.00 -0.48 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1g99 h GLU 97 Cb 0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1g99 h GLU 97 CO 0.00 1.13 -0.24 1.57 -0.73 0.00 0.00 179.01 180.73 1g99 h LYS 98 N 0.72 0.43 -4.53 1.92 2.10 -2.01 -3.41 116.57 111.79 1g99 h LYS 98 Ca 0.05 -0.16 -0.64 0.00 -2.00 0.00 0.00 60.65 57.90 1g99 h LYS 98 Cb 1.00 -0.03 -0.39 0.00 -0.90 0.00 0.00 32.23 31.92 1g99 h LYS 98 CO 0.10 0.65 -0.76 -0.06 -2.00 0.00 0.00 179.45 177.38 1g99 s PHE 99 N -4.50 3.09 -0.11 0.07 0.08 -1.16 -4.93 117.98 110.51 1g99 s PHE 99 Ca -0.06 -2.40 0.20 0.00 0.12 0.00 0.00 56.93 54.79 1g99 s PHE 99 Cb 0.14 -2.22 0.44 0.00 -0.57 0.00 0.00 43.02 40.81 1g99 s PHE 99 CO 0.78 -0.88 1.18 0.25 -0.10 0.00 0.00 175.22 176.44 1g99 n THR 100 N 4.46 0.91 -3.69 0.64 -2.24 -1.26 -4.17 114.28 108.94 1g99 n THR 100 Ca -0.05 -2.06 -0.10 0.00 -2.27 0.00 0.00 64.05 59.57 1g99 n THR 100 Cb 0.42 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 1g99 n THR 100 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1g99 s THR 101 N -1.67 0.03 0.49 4.28 -4.23 -1.26 -4.20 115.64 109.08 1g99 s THR 101 Ca 0.35 -0.66 -0.23 0.00 -1.18 0.00 0.00 61.69 59.97 1g99 s THR 101 Cb 0.38 -1.46 -0.06 0.00 1.34 0.00 0.00 72.50 72.69 1g99 s THR 101 CO -0.11 -0.13 1.29 -0.44 -0.54 0.00 0.00 174.62 174.69 1g99 s SER 102 N -2.85 5.74 -0.06 3.99 0.01 -1.26 -4.69 113.70 114.59 1g99 s SER 102 Ca 0.07 2.60 -0.08 0.00 1.31 0.00 0.00 55.95 59.86 1g99 s SER 102 Cb -0.01 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1g99 s SER 102 CO -0.05 -1.23 0.20 0.00 0.41 0.00 0.00 173.24 172.57 1g99 s ALA 103 N -1.37 -0.50 0.22 1.44 0.00 0.72 -4.97 121.76 117.30 1g99 s ALA 103 Ca 0.66 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 1g99 s ALA 103 Cb -0.36 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.44 1g99 s ALA 103 CO 0.44 -0.14 1.46 -1.17 0.00 0.00 0.00 175.76 176.36 1g99 s LEU 104 N -0.31 4.38 0.23 0.00 2.96 -1.26 0.53 118.68 125.22 1g99 s LEU 104 Ca -0.04 2.62 -0.30 0.00 -0.22 0.00 0.00 54.13 56.18 1g99 s LEU 104 Cb -0.03 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.95 1g99 s LEU 104 CO 0.01 -0.72 1.46 -0.47 -1.32 0.00 0.00 176.35 175.30 1g99 s TYR 105 N 0.37 3.03 0.28 5.38 5.04 0.49 -4.82 117.35 127.11 1g99 s TYR 105 Ca 0.62 0.97 -0.06 0.00 -2.44 0.00 0.00 57.07 56.16 1g99 s TYR 105 Cb -0.42 -3.83 0.03 0.00 0.35 0.00 0.00 41.96 38.09 1g99 s TYR 105 CO 0.39 -2.77 0.47 -0.40 -1.34 0.00 0.00 175.55 171.91 1g99 n ASP 106 N 2.60 -1.36 -0.29 4.32 5.68 -1.26 -4.90 116.55 121.34 1g99 n ASP 106 Ca 0.08 -2.28 0.09 0.00 -0.50 0.00 0.00 54.79 52.17 1g99 n ASP 106 Cb 0.40 2.37 0.31 0.00 -1.14 0.00 0.00 41.12 43.06 1g99 n ASP 106 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1g99 h GLU 107 N 0.00 0.81 -0.40 0.11 3.07 -2.00 -2.31 114.58 113.87 1g99 h GLU 107 Ca -0.22 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.43 1g99 h GLU 107 Cb 0.90 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1g99 h GLU 107 CO 0.29 0.54 -0.36 0.78 -1.40 0.00 0.00 179.01 178.86 1g99 h GLY 108 N 0.84 1.03 1.00 -3.84 0.00 -1.98 -2.53 103.07 97.59 1g99 h GLY 108 Ca 0.44 -1.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1g99 h GLY 108 CO -0.20 0.94 0.26 -2.08 0.00 0.00 0.00 176.54 175.46 1g99 h VAL 109 N 0.77 1.23 -0.93 4.60 2.07 -1.82 -1.44 116.25 120.73 1g99 h VAL 109 Ca 0.07 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.96 1g99 h VAL 109 Cb 0.95 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1g99 h VAL 109 CO 0.09 0.27 0.60 -0.08 0.02 0.00 0.00 177.57 178.47 1g99 h GLU 110 N 0.85 1.09 -0.23 1.57 4.81 -1.33 -0.10 114.58 121.24 1g99 h GLU 110 Ca 0.21 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1g99 h GLU 110 Cb 0.17 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1g99 h GLU 110 CO -0.02 0.72 0.03 -0.22 -0.73 0.00 0.00 179.01 178.79 1g99 h LYS 111 N 1.13 0.40 -0.72 1.92 3.64 -1.00 -1.71 116.57 120.22 1g99 h LYS 111 Ca 0.38 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1g99 h LYS 111 Cb 0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1g99 h LYS 111 CO -0.14 0.55 0.42 0.00 -2.27 0.00 0.00 179.45 178.00 1g99 h ALA 112 N 0.83 0.92 -0.48 5.00 0.00 -0.72 -0.25 119.26 124.57 1g99 h ALA 112 Ca 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1g99 h ALA 112 Cb 0.35 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1g99 h ALA 112 CO 0.01 0.41 0.21 0.82 0.00 0.00 0.00 179.25 180.70 1g99 h ILE 113 N 0.99 1.20 -0.11 0.00 2.04 -0.80 -2.08 117.51 118.75 1g99 h ILE 113 Ca 0.26 -0.58 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 1g99 h ILE 113 Cb -0.01 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1g99 h ILE 113 CO -0.05 0.22 -0.39 0.11 0.00 0.00 0.00 178.15 178.05 1g99 h LYS 114 N 0.63 0.23 0.00 2.37 1.57 -0.97 -2.54 116.57 117.85 1g99 h LYS 114 Ca 0.16 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1g99 h LYS 114 Cb 0.15 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1g99 h LYS 114 CO -0.02 0.59 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.78 1g99 h ASP 115 N 0.19 0.00 -0.48 0.86 5.19 -0.75 -2.81 116.42 118.63 1g99 h ASP 115 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1g99 h ASP 115 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1g99 h ASP 115 CO 0.06 0.24 0.00 0.00 -3.12 0.00 0.00 179.24 176.42 1g99 h PHE 117 N 2.85 1.11 0.00 0.00 -1.00 -1.46 0.74 116.94 119.17 1g99 h PHE 117 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 1g99 h PHE 117 Cb 0.65 -0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1g99 h PHE 117 CO 0.32 0.35 0.00 1.05 -1.61 0.00 0.00 178.31 178.42 1g99 h GLU 118 N 0.88 0.00 0.00 1.51 4.11 -1.84 -2.02 114.58 117.22 1g99 h GLU 118 Ca 0.54 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.97 1g99 h GLU 118 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1g99 h GLU 118 CO -0.32 0.00 -0.88 1.28 0.07 0.00 0.00 179.01 179.16 1g99 n LEU 119 N -2.42 0.71 -2.96 3.06 4.77 0.22 -4.42 117.00 115.96 1g99 n LEU 119 Ca 0.03 0.20 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1g99 n LEU 119 Cb 0.34 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1g99 n LEU 119 CO 0.26 -0.08 0.05 0.00 -1.33 0.00 0.00 177.39 176.29 1g99 n ALA 120 N -1.95 0.66 -0.22 -1.18 0.00 -0.97 -4.28 120.51 112.58 1g99 n ALA 120 Ca 0.02 -2.45 0.26 0.00 0.00 0.00 0.00 53.44 51.26 1g99 n ALA 120 Cb 0.48 -1.04 0.64 0.00 0.00 0.00 0.00 19.45 19.53 1g99 n ALA 120 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1g99 h PRO 121 N 2.99 0.15 0.00 0.00 0.13 -1.58 -0.04 132.00 133.66 1g99 h PRO 121 Ca -0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1g99 h PRO 121 Cb 1.04 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1g99 h PRO 121 CO 0.32 0.10 -0.38 -0.07 -0.23 0.00 0.00 178.00 177.74 1g99 h LEU 122 N 0.16 0.00 0.00 1.56 3.38 -1.95 -3.42 115.31 115.03 1g99 h LEU 122 Ca 0.46 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1g99 h LEU 122 Cb 1.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1g99 h LEU 122 CO -0.08 0.05 -1.20 1.41 0.09 0.00 0.00 178.44 178.71 1g99 n HIS 123 N -2.29 0.00 -0.30 1.13 8.25 -0.17 -4.72 115.22 117.12 1g99 n HIS 123 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1g99 n HIS 123 Cb 0.45 -0.13 0.13 0.00 1.12 0.00 0.00 29.99 31.57 1g99 n HIS 123 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1g99 h ASN 124 N -0.12 0.80 0.29 0.41 4.21 -1.45 -1.25 115.58 118.47 1g99 h ASN 124 Ca -0.09 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 1g99 h ASN 124 Cb 1.08 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 38.11 1g99 h ASN 124 CO -0.05 0.51 -0.26 -0.65 -1.29 0.00 0.00 177.43 175.69 1g99 h PRO 125 N 0.93 -0.56 -0.52 0.81 0.11 -1.81 -0.15 132.00 130.82 1g99 h PRO 125 Ca 0.36 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.49 1g99 h PRO 125 Cb 0.17 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1g99 h PRO 125 CO -0.17 -0.37 0.25 -1.35 -0.21 0.00 0.00 178.00 176.14 1g99 h PRO 126 N -0.58 0.73 -0.72 1.05 0.11 -1.80 -0.34 132.00 130.45 1g99 h PRO 126 Ca -0.01 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1g99 h PRO 126 Cb 0.52 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 1g99 h PRO 126 CO -0.04 0.57 0.43 -0.91 -0.21 0.00 0.00 178.00 177.84 1g99 h ASN 127 N 0.73 0.86 -0.67 -2.05 2.35 -0.90 -1.64 115.58 114.26 1g99 h ASN 127 Ca 0.18 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1g99 h ASN 127 Cb 0.08 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1g99 h ASN 127 CO -0.02 0.67 0.29 -0.03 -1.65 0.00 0.00 177.43 176.68 1g99 h MET 128 N 0.98 0.99 -0.85 0.81 4.05 -0.28 -1.57 114.93 119.06 1g99 h MET 128 Ca 0.26 -0.17 0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1g99 h MET 128 Cb -0.03 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 30.56 1g99 h MET 128 CO -0.05 0.81 0.56 0.52 0.23 0.00 0.00 176.91 178.99 1g99 h MET 129 N 0.94 1.08 -0.09 0.39 2.86 -0.36 0.72 114.93 120.47 1g99 h MET 129 Ca 0.23 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.66 1g99 h MET 129 Cb 0.18 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1g99 h MET 129 CO -0.02 0.72 -0.57 0.78 1.06 0.00 0.00 176.91 178.87 1g99 h GLY 130 N 1.11 0.31 0.94 8.32 0.00 -0.85 -0.32 103.07 112.58 1g99 h GLY 130 Ca 0.32 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.17 1g99 h GLY 130 CO -0.08 0.33 -0.27 -2.22 0.00 0.00 0.00 176.54 174.30 1g99 h ILE 131 N 0.22 1.31 -0.55 2.60 2.04 -0.35 -1.57 117.51 121.21 1g99 h ILE 131 Ca -0.00 -1.44 -0.10 0.00 1.00 0.00 0.00 64.86 64.32 1g99 h ILE 131 Cb 1.07 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1g99 h ILE 131 CO 0.09 0.46 -0.04 0.28 0.00 0.00 0.00 178.15 178.93 1g99 h SER 132 N 0.37 0.96 -0.71 1.72 0.02 -0.84 -0.53 113.55 114.54 1g99 h SER 132 Ca 0.04 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1g99 h SER 132 Cb 0.84 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1g99 h SER 132 CO 0.07 1.04 0.31 0.00 -1.14 0.00 0.00 176.83 177.10 1g99 h ALA 133 N 1.06 1.18 -0.30 3.77 0.00 -0.98 -2.09 119.26 121.89 1g99 h ALA 133 Ca 0.15 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1g99 h ALA 133 Cb 0.58 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1g99 h ALA 133 CO 0.03 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.59 1g99 h ALA 135 N 1.12 1.24 0.06 0.00 0.00 -0.57 -0.52 119.26 120.58 1g99 h ALA 135 Ca 0.07 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1g99 h ALA 135 Cb 0.79 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1g99 h ALA 135 CO 0.06 0.50 -0.73 0.93 0.00 0.00 0.00 179.25 180.02 1g99 h GLU 136 N 0.51 0.39 -0.18 0.00 5.08 -1.21 -2.93 114.58 116.24 1g99 h GLU 136 Ca 0.10 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 1g99 h GLU 136 Cb 0.46 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1g99 h GLU 136 CO 0.02 1.17 -0.17 0.82 -1.00 0.00 0.00 179.01 179.86 1g99 h ILE 137 N -0.16 1.33 -2.13 3.13 1.08 -1.31 -3.38 117.51 116.06 1g99 h ILE 137 Ca -0.11 -1.33 -0.58 0.00 -0.39 0.00 0.00 64.86 62.46 1g99 h ILE 137 Cb 1.47 1.80 -0.40 0.00 -3.07 0.00 0.00 36.82 36.62 1g99 h ILE 137 CO 0.14 0.40 -0.86 1.15 -0.69 0.00 0.00 178.15 178.28 1g99 n MET 138 N -4.50 1.51 -0.27 2.37 0.00 -0.21 -4.96 117.12 111.06 1g99 n MET 138 Ca -0.06 -3.88 0.20 0.00 0.00 0.00 0.00 57.70 53.97 1g99 n MET 138 Cb 0.38 -1.71 0.52 0.00 0.00 0.00 0.00 33.22 32.40 1g99 n MET 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1g99 h PRO 139 N 4.19 0.38 -0.01 3.17 0.11 -1.68 -1.99 132.00 136.18 1g99 h PRO 139 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1g99 h PRO 139 Cb 0.78 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1g99 h PRO 139 CO 0.63 0.25 -0.05 0.41 -0.21 0.00 0.00 178.00 179.04 1g99 n GLY 140 N -1.51 -0.17 3.74 -0.55 0.00 -1.26 -4.89 105.19 100.54 1g99 n GLY 140 Ca 0.21 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1g99 n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g99 s THR 141 N -2.10 5.26 0.32 2.61 2.01 -0.75 -5.05 115.64 117.94 1g99 s THR 141 Ca 0.36 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.73 1g99 s THR 141 Cb 0.21 -3.68 -0.11 0.00 0.01 0.00 0.00 72.50 68.92 1g99 s THR 141 CO 0.37 0.40 1.56 -2.65 -0.69 0.00 0.00 174.62 173.60 1g99 n PRO 142 N 3.41 2.68 -5.17 4.92 -0.02 -1.26 -4.84 135.00 134.71 1g99 n PRO 142 Ca -0.11 0.95 -0.31 0.00 -2.02 0.00 0.00 63.50 62.01 1g99 n PRO 142 Cb 0.52 -2.71 -0.17 0.00 -0.02 0.00 0.00 33.50 31.12 1g99 n PRO 142 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1g99 s MET 143 N -1.02 2.53 -0.09 -0.52 -1.94 -1.26 -1.25 119.30 115.76 1g99 s MET 143 Ca 0.61 -0.84 0.04 0.00 -1.71 0.00 0.00 55.69 53.78 1g99 s MET 143 Cb -0.49 -2.08 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 1g99 s MET 143 CO 0.53 0.30 -0.21 0.08 -0.01 0.00 0.00 175.02 175.71 1g99 s VAL 144 N 0.01 2.33 -0.20 -6.03 1.01 0.27 -0.38 120.40 117.42 1g99 s VAL 144 Ca -0.08 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 1g99 s VAL 144 Cb -0.15 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1g99 s VAL 144 CO 0.05 0.56 0.19 -0.63 0.00 0.00 0.00 175.10 175.27 1g99 s ILE 145 N 0.12 5.37 -0.25 2.22 -1.09 0.19 -1.36 121.20 126.39 1g99 s ILE 145 Ca -0.11 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.64 1g99 s ILE 145 Cb -0.16 -3.53 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1g99 s ILE 145 CO 0.06 0.40 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.37 1g99 s VAL 146 N 0.54 2.22 0.18 2.92 1.01 -0.96 -0.20 120.40 126.13 1g99 s VAL 146 Ca 0.11 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 60.35 1g99 s VAL 146 Cb -0.12 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 1g99 s VAL 146 CO 0.01 0.05 0.74 -0.36 0.00 0.00 0.00 175.10 175.53 1g99 s PHE 147 N 1.14 3.79 0.12 5.22 0.40 -1.26 -2.53 117.98 124.86 1g99 s PHE 147 Ca -0.07 1.50 0.33 0.00 -0.60 0.00 0.00 56.93 58.10 1g99 s PHE 147 Cb -0.19 -2.68 1.60 0.00 0.51 0.00 0.00 43.02 42.26 1g99 s PHE 147 CO -0.06 0.44 2.00 -0.44 0.70 0.00 0.00 175.22 177.87 1g99 h ASP 148 N 3.95 0.00 0.95 1.36 5.19 -1.34 -3.18 116.42 123.34 1g99 h ASP 148 Ca -0.48 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.86 1g99 h ASP 148 Cb 1.20 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1g99 h ASP 148 CO 0.65 0.00 -1.10 0.71 -3.12 0.00 0.00 179.24 176.39 1g99 h THR 149 N 0.00 0.25 -0.58 0.35 1.35 -1.70 0.21 112.91 112.80 1g99 h THR 149 Ca 0.00 -1.48 0.12 0.00 -0.55 0.00 0.00 66.41 64.50 1g99 h THR 149 Cb 0.24 1.80 -0.10 0.00 -1.73 0.00 0.00 68.15 68.35 1g99 h THR 149 CO 0.00 0.15 -0.08 0.00 -0.25 0.00 0.00 175.52 175.34 1g99 h ALA 150 N 1.73 0.47 -0.14 6.62 0.00 -1.72 -2.48 119.26 123.73 1g99 h ALA 150 Ca -0.07 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1g99 h ALA 150 Cb 1.27 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1g99 h ALA 150 CO 0.02 -0.42 0.13 0.35 0.00 0.00 0.00 179.25 179.33 1g99 h PHE 151 N 0.05 0.00 -0.07 0.00 3.57 -1.84 -2.36 116.94 116.29 1g99 h PHE 151 Ca 0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1g99 h PHE 151 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1g99 h PHE 151 CO -0.42 0.00 0.00 0.72 -2.23 0.00 0.00 178.31 176.38 1g99 n HIS 152 N -4.10 0.08 0.41 0.41 8.25 -0.94 -4.06 115.22 115.28 1g99 n HIS 152 Ca 0.01 -0.04 0.05 0.00 -0.26 0.00 0.00 57.72 57.47 1g99 n HIS 152 Cb 0.25 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.60 1g99 n HIS 152 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1g99 n GLN 153 N 0.24 0.07 0.00 -0.41 1.13 -0.89 -1.75 117.38 115.77 1g99 n GLN 153 Ca 0.18 0.26 0.14 0.00 -1.94 0.00 0.00 57.00 55.65 1g99 n GLN 153 Cb 0.35 -1.50 0.63 0.00 0.11 0.00 0.00 30.24 29.83 1g99 n GLN 153 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1g99 n THR 154 N -1.41 0.00 -1.87 5.09 -2.24 -1.26 -4.93 114.28 107.67 1g99 n THR 154 Ca 0.04 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1g99 n THR 154 Cb 0.10 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 1g99 n THR 154 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1g99 s MET 155 N -2.20 4.17 0.72 -0.78 -1.94 -0.72 -4.80 119.30 113.75 1g99 s MET 155 Ca 0.36 2.49 -0.11 0.00 -1.71 0.00 0.00 55.69 56.72 1g99 s MET 155 Cb 0.21 -3.01 0.02 0.00 2.01 0.00 0.00 34.83 34.06 1g99 s MET 155 CO 0.41 -0.48 1.07 -1.25 -0.01 0.00 0.00 175.02 174.75 1g99 s PRO 156 N -1.62 2.76 0.37 2.03 0.04 -1.26 -4.81 135.00 132.52 1g99 s PRO 156 Ca 0.54 0.95 0.06 0.00 0.04 0.00 0.00 61.00 62.59 1g99 s PRO 156 Cb -0.45 -1.97 0.76 0.00 0.04 0.00 0.00 34.50 32.88 1g99 s PRO 156 CO 0.57 -1.22 1.97 -1.35 0.04 0.00 0.00 177.00 177.01 1g99 h PRO 157 N -0.81 0.70 0.00 0.56 0.11 -1.98 -1.31 132.00 129.28 1g99 h PRO 157 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1g99 h PRO 157 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1g99 h PRO 157 CO 0.56 0.47 0.00 2.48 -0.21 0.00 0.00 178.00 181.30 1g99 n TYR 158 N -4.47 0.00 -0.12 0.65 0.18 -1.26 -1.82 117.16 110.32 1g99 n TYR 158 Ca 0.09 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.69 1g99 n TYR 158 Cb 0.20 -0.37 -0.10 0.00 -0.38 0.00 0.00 39.34 38.69 1g99 n TYR 158 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1g99 n ALA 159 N -1.37 1.47 0.73 -3.48 0.00 -0.56 -4.63 120.51 112.68 1g99 n ALA 159 Ca 0.06 -0.99 0.12 0.00 0.00 0.00 0.00 53.44 52.64 1g99 n ALA 159 Cb 0.16 0.01 0.29 0.00 0.00 0.00 0.00 19.45 19.92 1g99 n ALA 159 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1g99 n TYR 160 N -3.40 0.44 -3.06 0.00 0.18 -0.82 -4.85 117.16 105.65 1g99 n TYR 160 Ca -0.43 0.13 -0.38 0.00 1.88 0.00 0.00 57.90 59.10 1g99 n TYR 160 Cb 0.92 -0.61 -0.06 0.00 -0.38 0.00 0.00 39.34 39.21 1g99 n TYR 160 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1g99 s MET 161 N -3.10 4.40 0.26 -3.48 -1.94 -0.76 0.15 119.30 114.84 1g99 s MET 161 Ca 0.09 1.00 -0.03 0.00 -1.71 0.00 0.00 55.69 55.04 1g99 s MET 161 Cb 0.15 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.84 1g99 s MET 161 CO 0.67 0.51 0.49 0.71 -0.01 0.00 0.00 175.02 177.38 1g99 s TYR 162 N -1.29 3.48 -1.54 -0.03 2.02 -1.26 -4.93 117.35 113.80 1g99 s TYR 162 Ca 0.38 0.50 -0.09 0.00 -0.37 0.00 0.00 57.07 57.49 1g99 s TYR 162 Cb -0.20 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.35 1g99 s TYR 162 CO 0.23 0.25 2.73 0.00 -1.57 0.00 0.00 175.55 177.19 1g99 n ALA 163 N -0.88 7.13 -2.55 3.71 0.00 -1.26 -4.85 120.51 121.81 1g99 n ALA 163 Ca -0.03 -3.71 -0.27 0.00 0.00 0.00 0.00 53.44 49.43 1g99 n ALA 163 Cb 0.54 -3.26 -0.08 0.00 0.00 0.00 0.00 19.45 16.65 1g99 n ALA 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g99 s LEU 164 N -0.10 2.89 0.16 0.00 1.43 -1.26 -5.07 118.68 116.73 1g99 s LEU 164 Ca 0.63 -1.28 -0.33 0.00 -1.03 0.00 0.00 54.13 52.12 1g99 s LEU 164 Cb 0.17 -1.12 -0.13 0.00 0.03 0.00 0.00 46.19 45.14 1g99 s LEU 164 CO -0.07 -0.58 1.65 -2.65 0.23 0.00 0.00 176.35 174.93 1g99 n PRO 165 N -1.17 2.35 -0.27 1.29 -0.02 -1.26 -4.85 135.00 131.08 1g99 n PRO 165 Ca -0.05 0.85 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 1g99 n PRO 165 Cb 0.66 -2.65 0.43 0.00 -0.02 0.00 0.00 33.50 31.92 1g99 n PRO 165 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1g99 h TYR 166 N 6.46 0.72 -0.08 6.00 3.20 -1.97 -2.12 116.97 129.17 1g99 h TYR 166 Ca -0.45 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.47 1g99 h TYR 166 Cb 1.24 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 1g99 h TYR 166 CO 0.65 0.22 0.06 0.38 -1.64 0.00 0.00 178.16 177.83 1g99 h ASP 167 N 0.57 0.00 -0.16 -2.11 2.03 -1.99 -1.10 116.42 113.66 1g99 h ASP 167 Ca 0.47 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.73 1g99 h ASP 167 Cb 0.95 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.44 1g99 h ASP 167 CO -0.22 0.00 -0.03 -0.07 -1.03 0.00 0.00 179.24 177.90 1g99 h LEU 168 N 0.00 0.40 -0.32 0.15 3.38 -1.75 0.96 115.31 118.13 1g99 h LEU 168 Ca 0.04 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1g99 h LEU 168 Cb 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1g99 h LEU 168 CO -0.00 0.49 -0.13 0.22 0.09 0.00 0.00 178.44 179.10 1g99 h TYR 169 N 0.41 0.76 -0.20 1.13 3.20 -1.34 -0.86 116.97 120.07 1g99 h TYR 169 Ca 0.09 -0.18 -0.11 0.00 3.14 0.00 0.00 58.73 61.67 1g99 h TYR 169 Cb 0.32 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1g99 h TYR 169 CO 0.01 0.87 -0.31 0.93 -1.64 0.00 0.00 178.16 178.02 1g99 h GLU 170 N 0.43 0.56 0.17 1.82 5.08 -0.99 -1.20 114.58 120.45 1g99 h GLU 170 Ca 0.07 -0.34 -0.30 0.00 -1.00 0.00 0.00 59.36 57.80 1g99 h GLU 170 Cb 0.65 0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.95 1g99 h GLU 170 CO 0.04 0.94 -1.34 -0.22 -1.00 0.00 0.00 179.01 177.43 1g99 h LYS 171 N 0.22 0.37 0.00 2.33 3.64 0.85 -3.39 116.57 120.59 1g99 h LYS 171 Ca 0.02 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1g99 h LYS 171 Cb 0.89 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1g99 h LYS 171 CO 0.07 1.30 0.00 0.72 -2.27 0.00 0.00 179.45 179.27 1g99 n HIS 172 N -3.59 0.00 -1.81 1.91 8.25 -0.34 -5.01 115.22 114.63 1g99 n HIS 172 Ca -0.12 -0.26 -0.14 0.00 -0.26 0.00 0.00 57.72 56.94 1g99 n HIS 172 Cb 1.05 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 32.10 1g99 n HIS 172 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g99 n GLY 173 N -0.26 0.67 3.63 -1.41 0.00 -0.45 -4.94 105.19 102.42 1g99 n GLY 173 Ca 0.00 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1g99 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g99 s VAL 174 N -2.60 3.89 0.14 1.61 1.01 -1.20 -4.92 120.40 118.32 1g99 s VAL 174 Ca 0.00 1.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.74 1g99 s VAL 174 Cb 0.00 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.57 1g99 s VAL 174 CO 0.00 -0.34 0.99 0.00 0.00 0.00 0.00 175.10 175.75 1g99 s ARG 175 N 4.38 1.14 -0.01 2.72 1.70 -1.26 -4.34 118.95 123.27 1g99 s ARG 175 Ca 0.65 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.98 1g99 s ARG 175 Cb -0.22 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 1g99 s ARG 175 CO 0.26 -0.52 0.97 0.21 -1.08 0.00 0.00 175.30 175.14 1g99 s LYS 176 N -3.17 4.55 -0.18 3.89 2.20 0.12 -3.48 119.74 123.67 1g99 s LYS 176 Ca 0.13 1.40 -0.11 0.00 -0.36 0.00 0.00 55.97 57.02 1g99 s LYS 176 Cb -0.01 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.77 1g99 s LYS 176 CO 0.02 -0.06 -0.26 0.66 -0.36 0.00 0.00 175.35 175.35 1g99 n TYR 177 N 3.95 0.00 0.00 4.03 4.01 -0.14 -4.85 117.16 124.16 1g99 n TYR 177 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1g99 n TYR 177 Cb 0.51 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 1g99 n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1g99 n GLY 178 N 1.78 -0.63 2.30 2.72 0.00 -0.97 -4.66 105.19 105.73 1g99 n GLY 178 Ca -0.33 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 1g99 n GLY 178 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1g99 n PHE 179 N -0.02 -0.34 -1.57 1.61 3.72 -1.26 -3.99 117.46 115.61 1g99 n PHE 179 Ca 0.00 -1.94 -0.19 0.00 -0.05 0.00 0.00 57.45 55.27 1g99 n PHE 179 Cb 0.00 0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.60 1g99 n PHE 179 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1g99 n HIS 180 N -0.52 -0.02 -0.24 1.38 8.25 -1.23 -4.87 115.22 117.96 1g99 n HIS 180 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 1g99 n HIS 180 Cb 0.43 -3.22 0.17 0.00 1.12 0.00 0.00 29.99 28.49 1g99 n HIS 180 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1g99 h GLY 181 N 0.00 1.03 1.17 -1.41 0.00 -1.26 -0.96 103.07 101.65 1g99 h GLY 181 Ca -0.39 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1g99 h GLY 181 CO 0.57 -0.15 0.55 -0.84 0.00 0.00 0.00 176.54 176.66 1g99 h THR 182 N 0.33 1.22 -0.09 4.70 2.02 -1.84 -0.26 112.91 118.98 1g99 h THR 182 Ca 0.40 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1g99 h THR 182 Cb 0.65 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1g99 h THR 182 CO -0.46 0.21 -0.22 -1.28 0.37 0.00 0.00 175.52 174.15 1g99 h SER 183 N 1.14 0.36 -0.84 4.18 0.87 -1.60 -2.64 113.55 115.02 1g99 h SER 183 Ca 0.31 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1g99 h SER 183 Cb -0.12 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1g99 h SER 183 CO -0.07 0.87 0.53 0.45 -0.53 0.00 0.00 176.83 178.08 1g99 h HIS 184 N -0.14 1.08 -0.24 2.24 3.86 -0.93 -1.85 115.15 119.18 1g99 h HIS 184 Ca -0.00 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1g99 h HIS 184 Cb 0.82 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1g99 h HIS 184 CO 0.11 0.71 0.03 -0.22 0.86 0.00 0.00 177.93 179.42 1g99 h LYS 185 N 1.14 0.39 0.16 2.45 3.64 -1.10 -1.49 116.57 121.77 1g99 h LYS 185 Ca 0.30 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1g99 h LYS 185 Cb -0.08 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1g99 h LYS 185 CO -0.06 0.53 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.60 1g99 h TYR 186 N 0.20 -0.33 0.00 1.91 3.20 -1.10 -1.94 116.97 118.91 1g99 h TYR 186 Ca 0.07 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1g99 h TYR 186 Cb 0.33 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1g99 h TYR 186 CO 0.02 -0.20 -0.30 -0.39 -1.64 0.00 0.00 178.16 175.65 1g99 h VAL 187 N -0.30 0.96 -0.73 1.81 -1.51 -1.37 -1.50 116.25 113.60 1g99 h VAL 187 Ca -0.01 -1.15 -0.06 0.00 -1.23 0.00 0.00 66.70 64.26 1g99 h VAL 187 Cb 0.27 1.67 -0.03 0.00 -2.13 0.00 0.00 31.29 31.07 1g99 h VAL 187 CO -0.01 0.30 0.22 0.00 -1.23 0.00 0.00 177.57 176.84 1g99 h ALA 188 N 1.70 0.95 -0.25 5.19 0.00 -0.99 0.10 119.26 125.97 1g99 h ALA 188 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1g99 h ALA 188 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1g99 h ALA 188 CO 0.04 0.64 0.05 0.93 0.00 0.00 0.00 179.25 180.91 1g99 h GLU 189 N 1.08 0.40 -0.72 0.00 5.08 -0.62 -2.08 114.58 117.73 1g99 h GLU 189 Ca 0.23 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1g99 h GLU 189 Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1g99 h GLU 189 CO -0.01 0.52 0.31 0.00 -1.00 0.00 0.00 179.01 178.84 1g99 h ARG 190 N 0.22 1.04 -0.72 2.33 2.47 -1.09 -2.63 114.38 116.01 1g99 h ARG 190 Ca 0.08 -0.16 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 1g99 h ARG 190 Cb 0.31 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 1g99 h ARG 190 CO 0.00 0.83 0.21 0.00 0.56 0.00 0.00 179.97 181.57 1g99 h ALA 191 N 1.31 1.01 -0.75 0.04 0.00 -0.59 -2.13 119.26 118.15 1g99 h ALA 191 Ca 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1g99 h ALA 191 Cb 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1g99 h ALA 191 CO -0.03 0.66 0.40 0.00 0.00 0.00 0.00 179.25 180.28 1g99 h ALA 192 N 1.15 0.96 -0.33 0.00 0.00 -1.04 -1.12 119.26 118.89 1g99 h ALA 192 Ca 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1g99 h ALA 192 Cb 0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1g99 h ALA 192 CO -0.00 0.49 0.21 -0.07 0.00 0.00 0.00 179.25 179.87 1g99 h LEU 193 N 1.04 0.34 -1.97 0.00 4.07 -1.16 -1.68 115.31 115.95 1g99 h LEU 193 Ca 0.26 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 1g99 h LEU 193 Cb 0.05 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1g99 h LEU 193 CO -0.04 0.25 -0.11 0.24 -1.08 0.00 0.00 178.44 177.70 1g99 h MET 194 N 0.42 0.00 0.00 1.13 2.86 -0.84 0.35 114.93 118.84 1g99 h MET 194 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1g99 h MET 194 Cb -0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1g99 h MET 194 CO -0.05 0.11 -0.26 1.28 1.06 0.00 0.00 176.91 179.06 1g99 n LEU 195 N -3.80 0.79 -2.64 1.22 4.77 -0.47 -4.94 117.00 111.93 1g99 n LEU 195 Ca -0.02 0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 56.22 1g99 n LEU 195 Cb 0.21 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1g99 n LEU 195 CO 0.31 -0.13 0.09 0.61 -1.33 0.00 0.00 177.39 176.93 1g99 n GLY 196 N 1.32 -0.23 3.15 -0.72 0.00 0.11 -5.02 105.19 103.79 1g99 n GLY 196 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1g99 n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g99 s LYS 197 N -5.72 0.77 0.13 1.61 1.02 -1.11 -5.07 119.74 111.37 1g99 s LYS 197 Ca 0.34 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1g99 s LYS 197 Cb -0.15 -0.21 -0.07 0.00 -0.52 0.00 0.00 37.83 36.88 1g99 s LYS 197 CO 0.42 -0.01 1.24 -2.14 -0.92 0.00 0.00 175.35 173.94 1g99 s PRO 198 N -3.39 4.44 0.31 -1.68 0.02 -1.26 -4.49 135.00 128.94 1g99 s PRO 198 Ca 0.07 1.88 0.13 0.00 0.02 0.00 0.00 61.00 63.11 1g99 s PRO 198 Cb 0.02 -3.28 1.02 0.00 0.02 0.00 0.00 34.50 32.29 1g99 s PRO 198 CO -0.04 -0.21 1.37 0.00 -0.33 0.00 0.00 177.00 177.79 1g99 n ALA 199 N 3.24 0.76 0.25 -1.55 0.00 -1.26 0.84 120.51 122.79 1g99 n ALA 199 Ca 0.07 0.90 0.17 0.00 0.00 0.00 0.00 53.44 54.59 1g99 n ALA 199 Cb 0.45 -0.83 0.90 0.00 0.00 0.00 0.00 19.45 19.97 1g99 n ALA 199 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1g99 h GLU 200 N 0.00 0.00 -0.31 0.00 3.07 -1.90 -1.36 114.58 114.08 1g99 h GLU 200 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1g99 h GLU 200 Cb 1.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 1g99 h GLU 200 CO -0.72 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.28 1g99 n GLU 201 N -3.62 2.21 -4.14 2.33 1.02 0.25 -4.33 120.64 114.35 1g99 n GLU 201 Ca -0.00 -1.83 -0.27 0.00 -0.02 0.00 0.00 57.16 55.04 1g99 n GLU 201 Cb 0.25 -1.46 -0.07 0.00 -0.02 0.00 0.00 31.44 30.14 1g99 n GLU 201 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1g99 s THR 202 N -1.60 4.09 -0.21 2.62 -4.23 -0.51 -4.96 115.64 110.84 1g99 s THR 202 Ca 0.36 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 1g99 s THR 202 Cb 0.21 -3.06 0.06 0.00 1.34 0.00 0.00 72.50 71.04 1g99 s THR 202 CO 0.29 -0.08 -0.01 -0.54 -0.54 0.00 0.00 174.62 173.74 1g99 s LYS 203 N -2.94 1.16 0.00 3.99 1.02 -1.26 -0.36 119.74 121.36 1g99 s LYS 203 Ca 0.29 -0.69 0.06 0.00 0.02 0.00 0.00 55.97 55.65 1g99 s LYS 203 Cb -0.10 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1g99 s LYS 203 CO 0.21 -0.60 -0.19 0.42 -0.92 0.00 0.00 175.35 174.27 1g99 s ILE 204 N 1.63 1.48 -0.23 2.17 1.01 -0.17 0.58 121.20 127.67 1g99 s ILE 204 Ca -0.03 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.69 1g99 s ILE 204 Cb -0.18 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 1g99 s ILE 204 CO -0.07 0.35 -0.00 -0.63 0.00 0.00 0.00 174.94 174.58 1g99 s ILE 205 N -0.53 3.71 -0.16 2.92 1.01 -0.28 -0.18 121.20 127.69 1g99 s ILE 205 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1g99 s ILE 205 Cb -0.07 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 1g99 s ILE 205 CO -0.00 0.39 -0.02 0.42 0.00 0.00 0.00 174.94 175.73 1g99 s THR 206 N 1.51 4.02 -0.32 2.92 -4.23 -0.46 0.43 115.64 119.51 1g99 s THR 206 Ca 0.06 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1g99 s THR 206 Cb -0.15 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1g99 s THR 206 CO -0.01 0.48 0.03 0.00 -0.54 0.00 0.00 174.62 174.58 1g99 s HIS 208 N 1.10 3.02 -0.42 0.00 2.46 -0.12 -1.49 115.29 119.85 1g99 s HIS 208 Ca 0.01 -0.99 -0.09 0.00 0.47 0.00 0.00 55.06 54.46 1g99 s HIS 208 Cb -0.20 -4.00 0.08 0.00 -0.13 0.00 0.00 32.58 28.33 1g99 s HIS 208 CO -0.04 -1.27 0.25 -0.51 -2.47 0.00 0.00 174.74 170.70 1g99 s LEU 209 N 2.59 5.12 0.00 8.88 1.43 -0.78 -1.46 118.68 134.46 1g99 s LEU 209 Ca 0.11 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1g99 s LEU 209 Cb -0.25 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1g99 s LEU 209 CO 0.06 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1g99 n GLY 210 N 4.91 5.08 0.31 -3.19 0.00 -1.26 -1.00 105.19 110.03 1g99 n GLY 210 Ca -0.10 -1.09 0.01 0.00 0.00 0.00 0.00 46.02 44.84 1g99 n GLY 210 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1g99 h ASN 211 N 0.00 0.65 -3.18 1.61 -1.24 -1.95 -3.38 115.58 108.10 1g99 h ASN 211 Ca 0.00 -0.06 -0.66 0.00 0.71 0.00 0.00 56.30 56.30 1g99 h ASN 211 Cb 0.00 -0.17 -0.11 0.00 0.73 0.00 0.00 38.32 38.77 1g99 h ASN 211 CO 0.00 0.55 -0.60 -0.83 -1.29 0.00 0.00 177.43 175.27 1g99 s GLY 212 N -3.61 1.97 -0.01 1.57 0.00 -1.26 -2.32 107.32 103.66 1g99 s GLY 212 Ca -0.09 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.76 1g99 s GLY 212 CO 0.77 -0.75 -0.07 -0.56 0.00 0.00 0.00 173.10 172.49 1g99 s SER 213 N -1.63 0.85 -0.01 1.64 0.01 -1.26 -4.58 113.70 108.72 1g99 s SER 213 Ca 0.21 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 57.16 1g99 s SER 213 Cb -0.12 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.02 1g99 s SER 213 CO 0.12 0.07 0.39 -0.94 0.41 0.00 0.00 173.24 173.29 1g99 s SER 214 N -0.07 -0.28 0.06 2.44 1.04 -0.54 -4.55 113.70 111.81 1g99 s SER 214 Ca 0.01 0.18 0.08 0.00 0.48 0.00 0.00 55.95 56.71 1g99 s SER 214 Cb -0.04 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1g99 s SER 214 CO -0.00 -0.50 -0.22 -0.63 0.98 0.00 0.00 173.24 172.86 1g99 s ILE 215 N -1.45 2.50 0.02 -1.02 -1.09 -1.26 -0.95 121.20 117.95 1g99 s ILE 215 Ca -0.12 -1.36 0.03 0.00 -2.23 0.00 0.00 60.65 56.97 1g99 s ILE 215 Cb -0.04 -2.05 -0.01 0.00 -1.58 0.00 0.00 42.46 38.78 1g99 s ILE 215 CO 0.04 0.29 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.07 1g99 s THR 216 N -0.92 0.66 -0.34 2.92 2.01 -0.06 -0.88 115.64 119.02 1g99 s THR 216 Ca 0.14 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1g99 s THR 216 Cb -0.10 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1g99 s THR 216 CO 0.05 -0.03 0.23 0.00 -0.69 0.00 0.00 174.62 174.18 1g99 s ALA 217 N -0.65 3.45 -0.28 7.40 0.00 0.07 -1.35 121.76 130.40 1g99 s ALA 217 Ca -0.01 -1.43 -0.05 0.00 0.00 0.00 0.00 51.96 50.47 1g99 s ALA 217 Cb -0.06 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1g99 s ALA 217 CO 0.00 -1.02 0.04 0.08 0.00 0.00 0.00 175.76 174.86 1g99 s VAL 218 N 1.69 3.68 -0.29 0.00 1.01 0.75 -1.22 120.40 126.03 1g99 s VAL 218 Ca 0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1g99 s VAL 218 Cb -0.18 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1g99 s VAL 218 CO 0.10 0.13 0.04 -0.70 0.00 0.00 0.00 175.10 174.66 1g99 s GLU 219 N 1.46 2.86 -1.57 2.72 2.12 -0.22 -1.00 118.70 125.07 1g99 s GLU 219 Ca 0.02 -1.00 -0.05 0.00 0.36 0.00 0.00 54.97 54.31 1g99 s GLU 219 Cb -0.17 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 30.96 1g99 s GLU 219 CO 0.01 -0.49 0.57 0.41 -0.54 0.00 0.00 175.26 175.22 1g99 n GLY 220 N 4.78 -0.52 1.51 -1.50 0.00 0.51 -1.95 105.19 108.01 1g99 n GLY 220 Ca -0.14 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1g99 n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g99 n GLY 221 N -1.49 1.46 3.53 -0.02 0.00 -1.23 -4.22 105.19 103.23 1g99 n GLY 221 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1g99 n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g99 s LYS 222 N -0.50 2.51 0.10 1.61 1.02 -0.82 -5.07 119.74 118.59 1g99 s LYS 222 Ca 0.00 -0.71 -0.31 0.00 0.02 0.00 0.00 55.97 54.97 1g99 s LYS 222 Cb 0.00 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 1g99 s LYS 222 CO 0.00 0.61 1.31 0.45 -0.92 0.00 0.00 175.35 176.81 1g99 s SER 223 N -1.06 6.92 0.00 2.83 0.15 -1.26 -1.06 113.70 120.23 1g99 s SER 223 Ca 0.14 2.22 0.00 0.00 0.70 0.00 0.00 55.95 59.01 1g99 s SER 223 Cb -0.11 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1g99 s SER 223 CO 0.04 -0.58 0.00 0.52 1.20 0.00 0.00 173.24 174.42 1g99 n VAL 224 N 3.86 0.00 -3.62 4.45 0.31 -0.36 -3.31 118.33 119.66 1g99 n VAL 224 Ca 0.10 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 64.06 1g99 n VAL 224 Cb 0.44 0.80 -0.06 0.00 -0.91 0.00 0.00 33.84 34.11 1g99 n VAL 224 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1g99 s GLU 225 N -1.38 0.41 0.07 5.55 2.56 -1.23 -4.39 118.70 120.30 1g99 s GLU 225 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 54.97 55.11 1g99 s GLU 225 Cb 0.00 0.20 0.02 0.00 2.00 0.00 0.00 34.13 36.34 1g99 s GLU 225 CO 0.00 -0.10 0.28 -0.08 -0.56 0.00 0.00 175.26 174.81 1g99 s THR 226 N -0.50 0.10 0.11 -1.70 -1.32 -1.26 -0.75 115.64 110.31 1g99 s THR 226 Ca 0.03 -0.80 -0.06 0.00 -1.21 0.00 0.00 61.69 59.64 1g99 s THR 226 Cb -0.03 -1.08 -0.22 0.00 -1.51 0.00 0.00 72.50 69.66 1g99 s THR 226 CO -0.05 -0.44 1.24 0.77 -2.21 0.00 0.00 174.62 173.93 1g99 h SER 227 N 2.96 0.57 -4.36 8.08 4.64 -1.37 -3.45 113.55 120.62 1g99 h SER 227 Ca -0.33 -0.50 -0.50 0.00 -0.47 0.00 0.00 61.79 60.00 1g99 h SER 227 Cb 1.21 -0.18 0.09 0.00 -0.31 0.00 0.00 62.40 63.22 1g99 h SER 227 CO 0.49 1.31 0.37 -0.04 -0.87 0.00 0.00 176.83 178.10 1g99 s MET 228 N -3.10 2.59 0.00 4.77 -1.94 -1.24 -3.14 119.30 117.24 1g99 s MET 228 Ca -0.06 0.65 0.00 0.00 -1.71 0.00 0.00 55.69 54.57 1g99 s MET 228 Cb 0.08 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.94 1g99 s MET 228 CO 0.88 -1.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.03 1g99 n GLY 229 N -2.40 3.00 0.33 -0.03 0.00 -1.26 -3.96 105.19 100.86 1g99 n GLY 229 Ca 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.78 1g99 n GLY 229 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1g99 h PHE 230 N 0.00 1.04 -2.79 1.61 3.57 -1.88 -0.24 116.94 118.24 1g99 h PHE 230 Ca 0.00 0.03 -0.50 0.00 3.53 0.00 0.00 57.97 61.03 1g99 h PHE 230 Cb 0.00 -0.34 -0.14 0.00 2.79 0.00 0.00 35.95 38.26 1g99 h PHE 230 CO 0.00 0.57 -0.57 0.95 -2.23 0.00 0.00 178.31 177.03 1g99 s THR 231 N -6.08 0.90 -2.00 4.41 -4.23 -1.26 -4.69 115.64 102.68 1g99 s THR 231 Ca -0.13 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1g99 s THR 231 Cb 0.18 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.60 1g99 s THR 231 CO 0.79 0.00 1.00 -2.65 -0.54 0.00 0.00 174.62 173.22 1g99 n PRO 232 N -0.76 0.72 0.05 3.99 -0.02 -1.26 -3.51 135.00 134.21 1g99 n PRO 232 Ca -0.04 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.39 1g99 n PRO 232 Cb 0.66 -1.14 -0.10 0.00 -0.02 0.00 0.00 33.50 32.90 1g99 n PRO 232 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1g99 h LEU 233 N 0.00 0.00-10.11 2.45 5.85 -1.95 -3.48 115.31 108.07 1g99 h LEU 233 Ca 0.00 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.21 1g99 h LEU 233 Cb 0.00 0.00 0.09 0.00 0.37 0.00 0.00 40.66 41.12 1g99 h LEU 233 CO 0.00 0.88 0.43 -0.70 -0.34 0.00 0.00 178.44 178.72 1g99 s GLU 234 N -2.74 3.10 0.00 1.25 2.12 -1.23 -3.07 118.70 118.14 1g99 s GLU 234 Ca -0.00 1.65 0.00 0.00 0.36 0.00 0.00 54.97 56.98 1g99 s GLU 234 Cb 0.09 -1.97 0.00 0.00 0.26 0.00 0.00 34.13 32.51 1g99 s GLU 234 CO 0.81 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1g99 n GLY 235 N 0.17 0.85 3.79 -1.50 0.00 -1.19 -3.62 105.19 103.69 1g99 n GLY 235 Ca 0.12 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 1g99 n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g99 s LEU 236 N 0.00 3.21 0.27 0.99 1.43 -1.26 -1.57 118.68 121.75 1g99 s LEU 236 Ca 0.00 1.79 -0.29 0.00 -1.03 0.00 0.00 54.13 54.60 1g99 s LEU 236 Cb 0.00 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.61 1g99 s LEU 236 CO 0.00 -1.61 0.96 0.00 0.23 0.00 0.00 176.35 175.93 1g99 s ALA 237 N -2.77 3.32 0.00 4.21 0.00 -1.26 -3.56 121.76 121.70 1g99 s ALA 237 Ca 0.62 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1g99 s ALA 237 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1g99 s ALA 237 CO 0.50 0.15 0.00 -1.33 0.00 0.00 0.00 175.76 175.07 1g99 n MET 238 N 1.23 2.34 0.16 0.00 0.00 -0.00 -4.87 117.12 115.97 1g99 n MET 238 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.55 1g99 n MET 238 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.63 1g99 n MET 238 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1g99 h GLY 239 N 0.00 -0.53 0.00 3.03 0.00 -1.73 0.79 103.07 104.64 1g99 h GLY 239 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1g99 h GLY 239 CO 0.00 -0.23 0.00 -1.30 0.00 0.00 0.00 176.54 175.01 1g99 n THR 240 N -5.37 0.30 -4.21 4.70 -2.24 -1.26 -1.76 114.28 104.45 1g99 n THR 240 Ca -0.08 -0.47 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 1g99 n THR 240 Cb 0.28 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.47 1g99 n THR 240 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1g99 s ARG 241 N -0.30 3.13 0.28 -0.78 0.52 -1.26 -1.17 118.95 119.38 1g99 s ARG 241 Ca 0.00 -0.32 0.15 0.00 -0.52 0.00 0.00 55.73 55.04 1g99 s ARG 241 Cb 0.00 -2.92 0.09 0.00 0.52 0.00 0.00 34.95 32.64 1g99 s ARG 241 CO 0.00 0.73 1.46 0.00 0.02 0.00 0.00 175.30 177.50 1g99 n GLY 243 N 1.19 -1.08 3.55 0.00 0.00 -1.17 -4.38 105.19 103.30 1g99 n GLY 243 Ca 0.02 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1g99 n GLY 243 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g99 s SER 244 N -4.00 5.58 0.53 1.61 0.01 -0.61 -4.66 113.70 112.17 1g99 s SER 244 Ca 0.00 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.03 1g99 s SER 244 Cb 0.00 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.73 1g99 s SER 244 CO 0.00 -2.24 0.57 0.27 0.41 0.00 0.00 173.24 172.25 1g99 s ILE 245 N 8.09 2.11 -0.02 1.44 -4.36 -1.26 -4.95 121.20 122.26 1g99 s ILE 245 Ca 0.58 -1.23 -0.30 0.00 -0.26 0.00 0.00 60.65 59.44 1g99 s ILE 245 Cb -0.09 -2.34 -0.07 0.00 1.25 0.00 0.00 42.46 41.22 1g99 s ILE 245 CO 0.10 0.00 1.73 -0.62 0.24 0.00 0.00 174.94 176.39 1g99 s ASP 246 N -4.42 6.61 0.60 4.36 -1.08 -1.26 -4.85 116.67 116.63 1g99 s ASP 246 Ca 0.49 2.37 0.31 0.00 -0.52 0.00 0.00 52.55 55.19 1g99 s ASP 246 Cb -0.04 -2.54 1.82 0.00 -1.46 0.00 0.00 42.92 40.70 1g99 s ASP 246 CO 0.30 -0.95 2.21 -0.65 0.52 0.00 0.00 175.17 176.60 1g99 h PRO 247 N 9.65 0.00 0.00 4.34 0.11 -2.00 -1.59 132.00 142.52 1g99 h PRO 247 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1g99 h PRO 247 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1g99 h PRO 247 CO 0.95 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.68 1g99 h ALA 248 N 1.91 1.19 0.00 -0.75 0.00 -2.03 -2.18 119.26 117.40 1g99 h ALA 248 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1g99 h ALA 248 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1g99 h ALA 248 CO -0.00 0.07 -0.07 0.82 0.00 0.00 0.00 179.25 180.08 1g99 h ILE 249 N 0.00 0.83 0.63 0.00 2.04 -1.67 -2.73 117.51 116.62 1g99 h ILE 249 Ca -0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1g99 h ILE 249 Cb 0.25 1.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1g99 h ILE 249 CO 0.01 0.07 -0.30 0.58 0.00 0.00 0.00 178.15 178.50 1g99 h VAL 250 N 0.00 0.17 -0.72 1.67 2.07 -1.58 -0.63 116.25 117.22 1g99 h VAL 250 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1g99 h VAL 250 Cb 0.14 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 1g99 h VAL 250 CO 0.01 0.02 0.46 1.55 0.02 0.00 0.00 177.57 179.64 1g99 h PRO 251 N -1.13 0.96 -0.18 1.57 0.13 -1.72 -1.38 132.00 130.25 1g99 h PRO 251 Ca -0.09 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.01 1g99 h PRO 251 Cb 0.69 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 1g99 h PRO 251 CO 0.14 0.65 -0.02 0.35 -0.23 0.00 0.00 178.00 178.90 1g99 h PHE 252 N 0.99 -0.04 -0.57 1.56 3.57 -1.44 -1.60 116.94 119.41 1g99 h PHE 252 Ca 0.26 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1g99 h PHE 252 Cb -0.09 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1g99 h PHE 252 CO 0.00 -0.04 0.07 -0.07 -2.23 0.00 0.00 178.31 176.04 1g99 h LEU 253 N 0.04 0.92 -0.81 0.59 4.07 -0.73 -0.99 115.31 118.40 1g99 h LEU 253 Ca 0.08 -0.27 0.05 0.00 0.08 0.00 0.00 57.88 57.82 1g99 h LEU 253 Cb 0.11 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.55 1g99 h LEU 253 CO -0.16 0.96 0.50 0.24 -1.08 0.00 0.00 178.44 178.90 1g99 h MET 254 N 0.85 0.91 -0.05 1.13 2.86 -0.92 -0.73 114.93 118.98 1g99 h MET 254 Ca 0.17 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 1g99 h MET 254 Cb 0.44 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1g99 h MET 254 CO 0.01 0.60 -0.29 0.93 1.06 0.00 0.00 176.91 179.23 1g99 h GLU 255 N 0.94 0.28 0.11 1.72 5.08 -1.12 0.12 114.58 121.70 1g99 h GLU 255 Ca 0.34 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1g99 h GLU 255 Cb 0.11 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1g99 h GLU 255 CO -0.15 0.90 -0.08 0.87 -1.00 0.00 0.00 179.01 179.55 1g99 h LYS 256 N -0.27 -0.18 -0.01 2.33 1.79 -0.99 -3.19 116.57 116.05 1g99 h LYS 256 Ca -0.02 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1g99 h LYS 256 Cb 0.96 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1g99 h LYS 256 CO 0.06 -0.12 -0.11 0.39 -1.08 0.00 0.00 179.45 178.59 1g99 n GLU 257 N -5.18 1.47 -3.35 3.15 -0.58 -0.30 -4.99 120.64 110.86 1g99 n GLU 257 Ca -0.08 -0.94 -0.16 0.00 -0.42 0.00 0.00 57.16 55.56 1g99 n GLU 257 Cb 0.11 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 29.58 1g99 n GLU 257 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g99 n GLY 258 N 1.26 -0.77 3.77 0.62 0.00 0.30 -5.00 105.19 105.36 1g99 n GLY 258 Ca 0.16 0.35 -0.34 0.00 0.00 0.00 0.00 46.02 46.19 1g99 n GLY 258 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1g99 s LEU 259 N -5.88 3.85 0.88 0.99 1.43 -0.49 -5.04 118.68 114.43 1g99 s LEU 259 Ca 0.24 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1g99 s LEU 259 Cb -0.03 -2.16 0.18 0.00 0.03 0.00 0.00 46.19 44.21 1g99 s LEU 259 CO 0.74 0.30 1.21 0.42 0.23 0.00 0.00 176.35 179.25 1g99 s THR 260 N -1.12 2.03 0.28 5.49 -4.23 -1.26 -4.76 115.64 112.07 1g99 s THR 260 Ca 0.20 -0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1g99 s THR 260 Cb -0.12 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1g99 s THR 260 CO 0.11 0.00 1.74 0.71 -0.54 0.00 0.00 174.62 176.64 1g99 h THR 261 N -1.27 1.25 -0.41 3.99 1.35 -1.99 -2.24 112.91 113.58 1g99 h THR 261 Ca -0.41 -1.16 -0.06 0.00 -0.55 0.00 0.00 66.41 64.23 1g99 h THR 261 Cb 1.24 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1g99 h THR 261 CO 0.37 0.38 0.02 0.03 -0.25 0.00 0.00 175.52 176.08 1g99 h ARG 262 N 0.49 0.71 -0.50 4.72 -0.00 -2.00 -2.16 114.38 115.64 1g99 h ARG 262 Ca 0.08 -0.21 -0.09 0.00 -0.50 0.00 0.00 59.98 59.26 1g99 h ARG 262 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.47 1g99 h ARG 262 CO 0.04 0.78 -0.05 0.93 0.00 0.00 0.00 179.97 181.67 1g99 h GLU 263 N 0.55 0.88 -0.04 0.04 5.08 -1.88 -2.36 114.58 116.84 1g99 h GLU 263 Ca 0.12 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1g99 h GLU 263 Cb 0.44 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1g99 h GLU 263 CO 0.02 0.91 -0.57 0.97 -1.00 0.00 0.00 179.01 179.33 1g99 h ILE 264 N 0.80 1.39 -0.54 3.13 6.09 -1.33 -0.09 117.51 126.96 1g99 h ILE 264 Ca 0.14 -1.93 -0.10 0.00 -1.37 0.00 0.00 64.86 61.60 1g99 h ILE 264 Cb 0.55 2.00 -0.02 0.00 0.47 0.00 0.00 36.82 39.83 1g99 h ILE 264 CO 0.03 0.56 -0.04 -0.78 -3.07 0.00 0.00 178.15 174.86 1g99 h ASP 265 N 0.09 0.97 -0.49 2.19 1.82 -1.18 -1.87 116.42 117.94 1g99 h ASP 265 Ca -0.00 -0.32 -0.12 0.00 -0.39 0.00 0.00 57.03 56.19 1g99 h ASP 265 Cb 1.03 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 1g99 h ASP 265 CO 0.08 1.06 -0.17 0.74 -1.61 0.00 0.00 179.24 179.34 1g99 h THR 266 N 0.86 1.27 -0.18 2.25 2.02 -1.15 -1.26 112.91 116.72 1g99 h THR 266 Ca 0.15 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 66.01 1g99 h THR 266 Cb 0.58 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1g99 h THR 266 CO 0.03 0.46 0.11 0.25 0.37 0.00 0.00 175.52 176.74 1g99 h LEU 267 N 0.87 0.17 -1.03 2.58 6.46 -0.83 0.28 115.31 123.81 1g99 h LEU 267 Ca 0.12 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.78 1g99 h LEU 267 Cb 0.74 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1g99 h LEU 267 CO 0.06 0.13 -0.43 0.24 -0.62 0.00 0.00 178.44 177.82 1g99 h MET 268 N 0.22 0.11 0.00 1.25 2.86 -1.24 -2.19 114.93 115.95 1g99 h MET 268 Ca 0.07 -0.05 -0.23 0.00 -2.06 0.00 0.00 59.70 57.43 1g99 h MET 268 Cb -0.01 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 1g99 h MET 268 CO -0.03 0.53 -2.04 0.09 1.06 0.00 0.00 176.91 176.52 1g99 n ASN 269 N -4.02 0.24 -0.00 1.22 3.02 -0.48 -2.43 115.26 112.81 1g99 n ASN 269 Ca -0.02 0.11 0.01 0.00 -0.03 0.00 0.00 54.58 54.65 1g99 n ASN 269 Cb 0.47 1.00 -0.02 0.00 -0.61 0.00 0.00 39.78 40.63 1g99 n ASN 269 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1g99 n LYS 270 N -2.68 2.51 0.00 3.52 5.02 0.97 -4.03 118.16 123.47 1g99 n LYS 270 Ca -0.20 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1g99 n LYS 270 Cb 0.93 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 35.07 1g99 n LYS 270 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1g99 n LYS 271 N -1.37 2.39 0.00 1.97 5.02 -0.84 -4.88 118.16 120.44 1g99 n LYS 271 Ca -0.00 -1.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1g99 n LYS 271 Cb 0.05 -0.98 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1g99 n LYS 271 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1g99 n SER 272 N -0.42 0.00 0.00 4.39 7.64 -0.32 -3.36 113.62 121.56 1g99 n SER 272 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1g99 n SER 272 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1g99 n SER 272 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1g99 n GLY 273 N 5.00 0.71 0.28 0.23 0.00 -1.06 -1.31 105.19 109.05 1g99 n GLY 273 Ca 0.00 -0.80 0.17 0.00 0.00 0.00 0.00 46.02 45.39 1g99 n GLY 273 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1g99 h VAL 274 N 0.00 0.19 -0.07 1.61 -1.51 -0.66 -2.51 116.25 113.29 1g99 h VAL 274 Ca 0.00 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 1g99 h VAL 274 Cb 0.00 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1g99 h VAL 274 CO 0.00 0.05 -0.02 0.25 -1.23 0.00 0.00 177.57 176.62 1g99 h LEU 275 N 0.00 0.14 -1.00 4.19 5.85 -1.18 -1.00 115.31 122.31 1g99 h LEU 275 Ca -0.00 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1g99 h LEU 275 Cb 0.37 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1g99 h LEU 275 CO 0.01 0.49 0.31 1.23 -0.34 0.00 0.00 178.44 180.14 1g99 h GLY 276 N -0.21 1.10 0.49 3.75 0.00 -0.78 -0.07 103.07 107.34 1g99 h GLY 276 Ca 0.02 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1g99 h GLY 276 CO 0.01 0.53 -0.22 -2.08 0.00 0.00 0.00 176.54 174.78 1g99 h VAL 277 N 1.01 1.51 -0.07 4.60 2.07 -1.47 -3.33 116.25 120.58 1g99 h VAL 277 Ca 0.24 -1.82 -0.14 0.00 0.82 0.00 0.00 66.70 65.80 1g99 h VAL 277 Cb 0.15 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1g99 h VAL 277 CO -0.03 0.50 -0.58 0.77 0.02 0.00 0.00 177.57 178.25 1g99 h SER 278 N -0.45 0.26 0.00 0.57 4.64 -1.16 -3.46 113.55 113.95 1g99 h SER 278 Ca -0.02 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1g99 h SER 278 Cb 0.93 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1g99 h SER 278 CO 0.04 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1g99 n GLY 279 N 0.22 0.42 0.73 -0.77 0.00 -0.04 -4.55 105.19 101.18 1g99 n GLY 279 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1g99 n GLY 279 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1g99 n LEU 280 N 0.00 1.24 -3.78 0.99 7.94 -1.25 -5.07 117.00 117.07 1g99 n LEU 280 Ca 0.00 0.18 -0.08 0.00 -1.11 0.00 0.00 56.01 55.01 1g99 n LEU 280 Cb 0.12 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.62 1g99 n LEU 280 CO 0.00 -0.43 0.46 -0.55 -1.11 0.00 0.00 177.39 175.75 1g99 s SER 281 N -5.94 -0.32 0.00 1.96 0.15 -1.26 -5.00 113.70 103.29 1g99 s SER 281 Ca -0.10 -0.50 0.13 0.00 0.70 0.00 0.00 55.95 56.19 1g99 s SER 281 Cb 0.02 0.70 0.36 0.00 -1.71 0.00 0.00 66.02 65.40 1g99 s SER 281 CO 0.15 -1.28 1.29 -0.46 1.20 0.00 0.00 173.24 174.14 1g99 n ASN 282 N -0.45 3.08 -4.54 5.45 6.94 -1.26 -3.22 115.26 121.25 1g99 n ASN 282 Ca -0.06 -1.96 -0.40 0.00 -0.02 0.00 0.00 54.58 52.14 1g99 n ASN 282 Cb 0.60 -0.27 -0.11 0.00 -2.36 0.00 0.00 39.78 37.65 1g99 n ASN 282 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1g99 s ASP 283 N -1.02 6.01 0.55 0.53 -1.08 -1.26 -4.71 116.67 115.70 1g99 s ASP 283 Ca 0.28 -0.31 0.26 0.00 -0.52 0.00 0.00 52.55 52.26 1g99 s ASP 283 Cb 0.15 -2.12 1.61 0.00 -1.46 0.00 0.00 42.92 41.09 1g99 s ASP 283 CO 0.20 -0.18 2.18 -0.26 0.52 0.00 0.00 175.17 177.63 1g99 h PHE 284 N 8.45 0.00 -0.01 -5.34 -1.00 -1.99 -1.78 116.94 115.26 1g99 h PHE 284 Ca -0.32 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.45 1g99 h PHE 284 Cb 1.17 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.73 1g99 h PHE 284 CO 0.69 0.04 -0.00 0.00 -1.61 0.00 0.00 178.31 177.43 1g99 h ARG 285 N 0.00 0.03 -0.80 1.51 3.08 -1.99 -1.46 114.38 114.75 1g99 h ARG 285 Ca -0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.06 1g99 h ARG 285 Cb 0.10 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1g99 h ARG 285 CO 0.01 0.35 0.52 -0.44 -1.07 0.00 0.00 179.97 179.34 1g99 h ASP 286 N -0.30 0.89 -0.60 7.04 3.32 -1.78 -2.13 116.42 122.86 1g99 h ASP 286 Ca 0.00 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1g99 h ASP 286 Cb 0.34 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1g99 h ASP 286 CO 0.00 0.64 0.09 -0.07 -1.72 0.00 0.00 179.24 178.18 1g99 h LEU 287 N 1.05 0.95 -0.35 1.55 3.38 -1.28 -0.12 115.31 120.49 1g99 h LEU 287 Ca 0.30 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1g99 h LEU 287 Cb -0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1g99 h LEU 287 CO -0.08 0.98 0.20 -0.78 0.09 0.00 0.00 178.44 178.85 1g99 h ASP 288 N 0.89 0.33 -0.22 -0.43 3.58 -0.98 0.63 116.42 120.22 1g99 h ASP 288 Ca 0.18 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1g99 h ASP 288 Cb 0.43 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1g99 h ASP 288 CO 0.01 0.24 0.05 -0.08 -2.88 0.00 0.00 179.24 176.58 1g99 h GLU 289 N 0.42 0.35 -0.80 0.28 4.81 -1.22 -1.90 114.58 116.52 1g99 h GLU 289 Ca 0.14 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1g99 h GLU 289 Cb 0.01 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1g99 h GLU 289 CO -0.07 0.48 0.41 0.00 -0.73 0.00 0.00 179.01 179.10 1g99 h ALA 290 N 0.86 1.20 -0.32 2.92 0.00 -0.46 -1.88 119.26 121.58 1g99 h ALA 290 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1g99 h ALA 290 Cb 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1g99 h ALA 290 CO 0.00 0.62 0.16 0.00 0.00 0.00 0.00 179.25 180.03 1g99 h ALA 291 N 1.31 0.41 -0.70 0.00 0.00 0.43 -0.55 119.26 120.16 1g99 h ALA 291 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1g99 h ALA 291 Cb 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1g99 h ALA 291 CO -0.04 -0.03 0.40 0.66 0.00 0.00 0.00 179.25 180.24 1g99 h SER 292 N 0.39 0.85 0.00 0.00 4.64 -0.93 -0.23 113.55 118.27 1g99 h SER 292 Ca 0.11 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1g99 h SER 292 Cb 0.10 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1g99 h SER 292 CO -0.02 0.67 0.00 0.29 -0.87 0.00 0.00 176.83 176.91 1g99 n LYS 293 N -4.38 0.79 -0.60 4.77 4.76 -0.74 -4.84 118.16 117.91 1g99 n LYS 293 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1g99 n LYS 293 Cb 0.08 -1.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 1g99 n LYS 293 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1g99 n GLY 294 N 0.26 0.67 3.58 0.72 0.00 -0.10 -5.03 105.19 105.30 1g99 n GLY 294 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1g99 n GLY 294 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1g99 s ASN 295 N -2.19 6.42 0.17 1.61 3.84 -0.24 -4.92 114.94 119.63 1g99 s ASN 295 Ca 0.00 0.19 -0.14 0.00 0.21 0.00 0.00 52.86 53.12 1g99 s ASN 295 Cb 0.00 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.23 1g99 s ASN 295 CO 0.00 -1.49 1.82 -0.09 -2.79 0.00 0.00 177.10 174.55 1g99 h ARG 296 N 9.73 0.59 -0.86 0.43 9.65 -1.89 -1.36 114.38 130.67 1g99 h ARG 296 Ca -0.25 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.58 1g99 h ARG 296 Cb 1.06 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.47 1g99 h ARG 296 CO 1.18 0.39 0.49 0.87 2.80 0.00 0.00 179.97 185.70 1g99 h LYS 297 N 0.61 1.17 -0.54 0.20 1.79 -1.89 0.17 116.57 118.08 1g99 h LYS 297 Ca 0.20 -0.12 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 1g99 h LYS 297 Cb -0.00 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.39 1g99 h LYS 297 CO -0.08 0.84 -0.06 0.00 -1.08 0.00 0.00 179.45 179.07 1g99 h ALA 298 N 1.36 0.74 -0.28 3.86 0.00 -1.70 -1.49 119.26 121.75 1g99 h ALA 298 Ca 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1g99 h ALA 298 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1g99 h ALA 298 CO -0.05 0.61 0.10 1.49 0.00 0.00 0.00 179.25 181.40 1g99 h GLU 299 N 0.88 0.42 -0.92 0.00 4.57 -0.58 -2.18 114.58 116.77 1g99 h GLU 299 Ca 0.15 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1g99 h GLU 299 Cb 0.61 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 1g99 h GLU 299 CO 0.04 0.47 0.54 1.25 -1.18 0.00 0.00 179.01 180.12 1g99 h LEU 300 N 0.29 1.12 -0.58 1.64 5.85 -0.54 -1.40 115.31 121.69 1g99 h LEU 300 Ca 0.09 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1g99 h LEU 300 Cb 0.21 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1g99 h LEU 300 CO -0.01 0.87 0.28 0.00 -0.34 0.00 0.00 178.44 179.25 1g99 h ALA 301 N 1.29 0.75 -0.08 1.25 0.00 -1.05 -0.71 119.26 120.71 1g99 h ALA 301 Ca 0.33 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1g99 h ALA 301 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1g99 h ALA 301 CO -0.06 0.31 -0.38 -0.07 0.00 0.00 0.00 179.25 179.05 1g99 h LEU 302 N 0.79 0.18 -0.28 0.00 3.38 -1.02 -1.42 115.31 116.95 1g99 h LEU 302 Ca 0.20 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1g99 h LEU 302 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1g99 h LEU 302 CO -0.02 0.56 -0.15 -0.33 0.09 0.00 0.00 178.44 178.58 1g99 h GLU 303 N 0.15 0.59 -0.27 1.13 5.08 -0.69 -0.49 114.58 120.09 1g99 h GLU 303 Ca 0.02 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1g99 h GLU 303 Cb 0.75 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1g99 h GLU 303 CO 0.06 0.84 0.13 0.82 -1.00 0.00 0.00 179.01 179.86 1g99 h ILE 304 N 0.33 1.15 -0.27 3.13 2.04 -1.06 -0.16 117.51 122.68 1g99 h ILE 304 Ca 0.06 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1g99 h ILE 304 Cb 0.67 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1g99 h ILE 304 CO 0.04 0.15 0.17 0.15 0.00 0.00 0.00 178.15 178.66 1g99 h PHE 305 N 0.30 0.31 -0.38 1.37 3.57 -1.16 -1.85 116.94 119.10 1g99 h PHE 305 Ca 0.09 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 1g99 h PHE 305 Cb 0.12 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1g99 h PHE 305 CO -0.02 0.19 -0.33 0.00 -2.23 0.00 0.00 178.31 175.92 1g99 h ALA 306 N 1.11 0.68 -0.74 2.41 0.00 -0.94 -2.80 119.26 118.98 1g99 h ALA 306 Ca 0.10 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1g99 h ALA 306 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1g99 h ALA 306 CO -0.03 0.67 0.47 -0.92 0.00 0.00 0.00 179.25 179.44 1g99 h TYR 307 N 0.73 0.89 -0.39 0.00 3.20 -0.91 -1.29 116.97 119.20 1g99 h TYR 307 Ca 0.07 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 1g99 h TYR 307 Cb 0.90 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1g99 h TYR 307 CO 0.05 0.53 -0.10 0.87 -1.64 0.00 0.00 178.16 177.87 1g99 h LYS 308 N 0.94 0.68 -0.49 1.82 1.57 -1.19 -1.29 116.57 118.61 1g99 h LYS 308 Ca 0.29 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1g99 h LYS 308 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1g99 h LYS 308 CO -0.09 0.77 -0.15 0.28 -0.57 0.00 0.00 179.45 179.69 1g99 h VAL 309 N 0.62 1.27 -0.58 0.50 2.07 -1.19 -2.44 116.25 116.51 1g99 h VAL 309 Ca 0.11 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.37 1g99 h VAL 309 Cb 0.54 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1g99 h VAL 309 CO 0.03 0.45 0.32 0.50 0.02 0.00 0.00 177.57 178.90 1g99 h LYS 310 N 0.82 0.60 -0.67 1.57 3.64 -0.87 -2.01 116.57 119.65 1g99 h LYS 310 Ca 0.12 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1g99 h LYS 310 Cb 0.72 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1g99 h LYS 310 CO 0.06 0.40 0.26 0.87 -2.27 0.00 0.00 179.45 178.77 1g99 h LYS 311 N 0.62 0.99 -0.18 1.90 1.57 -1.09 -2.21 116.57 118.18 1g99 h LYS 311 Ca 0.25 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1g99 h LYS 311 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1g99 h LYS 311 CO -0.14 0.81 -0.20 0.74 -0.57 0.00 0.00 179.45 180.08 1g99 h PHE 312 N 0.97 0.33 -0.68 -1.35 0.04 -0.90 0.23 116.94 115.59 1g99 h PHE 312 Ca 0.23 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.88 1g99 h PHE 312 Cb 0.19 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1g99 h PHE 312 CO 0.02 0.50 0.19 0.82 -0.60 0.00 0.00 178.31 179.24 1g99 h ILE 313 N 0.28 1.25 -0.20 -0.55 2.04 -0.79 0.26 117.51 119.81 1g99 h ILE 313 Ca 0.05 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.96 1g99 h ILE 313 Cb 0.52 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1g99 h ILE 313 CO 0.03 0.35 -0.05 1.23 0.00 0.00 0.00 178.15 179.72 1g99 h GLY 314 N 1.07 0.42 0.51 5.37 0.00 -0.85 -2.27 103.07 107.33 1g99 h GLY 314 Ca 0.22 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1g99 h GLY 314 CO -0.00 0.32 0.08 -2.09 0.00 0.00 0.00 176.54 174.84 1g99 h GLU 315 N 0.11 0.20 0.00 4.80 4.81 -0.62 -1.92 114.58 121.96 1g99 h GLU 315 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1g99 h GLU 315 Cb 0.49 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1g99 h GLU 315 CO 0.02 0.13 0.00 0.66 -0.73 0.00 0.00 179.01 179.09 1g99 n TYR 316 N -5.10 0.91 0.04 0.92 4.02 0.05 -2.16 117.16 115.84 1g99 n TYR 316 Ca 0.03 0.29 -0.05 0.00 -0.01 0.00 0.00 57.90 58.15 1g99 n TYR 316 Cb 0.18 -0.97 0.14 0.00 -0.02 0.00 0.00 39.34 38.67 1g99 n TYR 316 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1g99 h SER 317 N 0.00 0.45 -0.05 7.72 0.02 -0.74 -0.47 113.55 120.47 1g99 h SER 317 Ca 0.00 -0.20 -0.21 0.00 -0.84 0.00 0.00 61.79 60.54 1g99 h SER 317 Cb 0.63 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.06 1g99 h SER 317 CO 0.00 0.83 -0.79 0.00 -1.14 0.00 0.00 176.83 175.73 1g99 h ALA 318 N 1.19 0.17 -0.49 3.77 0.00 -1.13 -0.14 119.26 122.63 1g99 h ALA 318 Ca 0.02 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1g99 h ALA 318 Cb 0.92 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1g99 h ALA 318 CO 0.08 0.55 0.26 0.28 0.00 0.00 0.00 179.25 180.42 1g99 h VAL 319 N 0.27 0.99 -0.00 0.00 2.07 -1.25 -2.58 116.25 115.73 1g99 h VAL 319 Ca -0.08 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1g99 h VAL 319 Cb 1.45 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1g99 h VAL 319 CO 0.16 0.09 -0.15 0.18 0.02 0.00 0.00 177.57 177.87 1g99 n LEU 320 N -4.86 0.57 -3.52 2.57 4.77 -0.20 -4.95 117.00 111.37 1g99 n LEU 320 Ca 0.04 -0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1g99 n LEU 320 Cb 0.11 -0.18 0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1g99 n LEU 320 CO 0.30 0.11 0.10 -3.20 -1.33 0.00 0.00 177.39 173.37 1g99 n ASN 321 N -0.93 -2.75 -0.05 -1.43 5.15 -0.58 -4.69 115.26 109.98 1g99 n ASN 321 Ca 0.13 -0.65 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 1g99 n ASN 321 Cb 0.30 -4.88 0.00 0.00 -0.53 0.00 0.00 39.78 34.66 1g99 n ASN 321 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1g99 n GLY 322 N -1.38 0.82 3.94 8.20 0.00 -0.17 -5.04 105.19 111.56 1g99 n GLY 322 Ca -0.23 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 1g99 n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g99 s ALA 323 N -0.01 3.93 -0.06 4.61 0.00 -1.26 -4.91 121.76 124.06 1g99 s ALA 323 Ca 0.00 -1.10 0.09 0.00 0.00 0.00 0.00 51.96 50.95 1g99 s ALA 323 Cb 0.00 -1.74 -0.24 0.00 0.00 0.00 0.00 23.12 21.15 1g99 s ALA 323 CO 0.00 0.46 0.61 -0.25 0.00 0.00 0.00 175.76 176.58 1g99 n ASP 324 N -0.75 1.12 -3.55 0.00 8.00 0.20 -4.77 116.55 116.79 1g99 n ASP 324 Ca -0.08 0.38 -0.12 0.00 0.71 0.00 0.00 54.79 55.68 1g99 n ASP 324 Cb 0.55 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1g99 n ASP 324 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g99 s ALA 325 N -2.59 -1.26 -0.08 2.24 0.00 -1.14 -1.76 121.76 117.17 1g99 s ALA 325 Ca -0.08 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.27 1g99 s ALA 325 Cb 0.08 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1g99 s ALA 325 CO 0.81 -0.62 -0.24 0.08 0.00 0.00 0.00 175.76 175.80 1g99 s VAL 326 N -3.26 2.13 -0.07 0.00 1.01 -0.03 -1.13 120.40 119.05 1g99 s VAL 326 Ca -0.01 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1g99 s VAL 326 Cb 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1g99 s VAL 326 CO -0.08 0.56 -0.16 -0.69 0.00 0.00 0.00 175.10 174.73 1g99 s VAL 327 N 0.09 2.84 -0.12 2.92 1.01 0.17 -1.13 120.40 126.18 1g99 s VAL 327 Ca -0.11 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1g99 s VAL 327 Cb -0.16 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1g99 s VAL 327 CO 0.06 0.57 -0.13 -0.36 0.00 0.00 0.00 175.10 175.24 1g99 s PHE 328 N -0.32 2.81 0.35 5.22 0.08 -0.39 0.05 117.98 125.79 1g99 s PHE 328 Ca 0.02 -0.53 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 1g99 s PHE 328 Cb -0.13 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1g99 s PHE 328 CO 0.02 -0.13 0.55 -0.08 -0.10 0.00 0.00 175.22 175.48 1g99 s THR 329 N 0.15 0.00 0.10 0.64 -1.32 -0.55 -1.55 115.64 113.11 1g99 s THR 329 Ca -0.07 -1.46 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1g99 s THR 329 Cb -0.15 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.15 1g99 s THR 329 CO 0.05 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.46 1g99 n ALA 330 N -0.56 -0.94 -0.32 11.08 0.00 -1.26 -1.87 120.51 126.64 1g99 n ALA 330 Ca -0.01 0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 1g99 n ALA 330 Cb 0.61 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.65 1g99 n ALA 330 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g99 n GLY 331 N -2.22 -2.45 0.10 0.00 0.00 -1.19 0.45 105.19 99.89 1g99 n GLY 331 Ca -0.00 0.99 -0.14 0.00 0.00 0.00 0.00 46.02 46.87 1g99 n GLY 331 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1g99 h ILE 332 N 0.00 1.46 -0.92 -0.61 2.04 -1.32 -2.80 117.51 115.35 1g99 h ILE 332 Ca 0.12 -1.61 0.07 0.00 1.00 0.00 0.00 64.86 64.45 1g99 h ILE 332 Cb 0.31 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.73 1g99 h ILE 332 CO -0.71 0.44 0.60 1.23 0.00 0.00 0.00 178.15 179.71 1g99 h GLY 333 N -0.36 1.36 1.47 5.37 0.00 -1.11 -0.58 103.07 109.22 1g99 h GLY 333 Ca -0.01 -0.42 -0.28 0.00 0.00 0.00 0.00 47.33 46.63 1g99 h GLY 333 CO 0.04 0.28 -1.37 0.83 0.00 0.00 0.00 176.54 176.32 1g99 h GLU 334 N 1.03 0.20 0.00 4.80 5.08 -0.11 -3.39 114.58 122.19 1g99 h GLU 334 Ca 0.41 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1g99 h GLU 334 Cb 0.24 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1g99 h GLU 334 CO -0.16 1.08 -1.82 0.09 -1.00 0.00 0.00 179.01 177.20 1g99 n ASN 335 N -3.43 1.14 -4.36 1.42 3.02 -1.06 -4.46 115.26 107.53 1g99 n ASN 335 Ca -0.11 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 53.99 1g99 n ASN 335 Cb 1.02 1.64 -0.04 0.00 -0.61 0.00 0.00 39.78 41.79 1g99 n ASN 335 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1g99 s SER 336 N -4.10 6.32 0.26 6.41 0.15 -0.24 -4.87 113.70 117.64 1g99 s SER 336 Ca -0.06 -1.75 -0.02 0.00 0.70 0.00 0.00 55.95 54.82 1g99 s SER 336 Cb 0.10 -2.28 0.35 0.00 -1.71 0.00 0.00 66.02 62.48 1g99 s SER 336 CO 0.69 -0.98 1.78 0.00 1.20 0.00 0.00 173.24 175.93 1g99 h ALA 337 N 8.89 1.13 -0.23 5.45 0.00 -1.87 -1.71 119.26 130.92 1g99 h ALA 337 Ca -0.19 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1g99 h ALA 337 Cb 1.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1g99 h ALA 337 CO 1.04 0.56 -0.58 0.66 0.00 0.00 0.00 179.25 180.93 1g99 h SER 338 N 0.76 0.82 -0.17 0.00 4.64 -1.91 -1.44 113.55 116.24 1g99 h SER 338 Ca 0.15 -0.45 -0.14 0.00 -0.47 0.00 0.00 61.79 60.88 1g99 h SER 338 Cb 0.41 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1g99 h SER 338 CO 0.01 1.22 -0.36 0.40 -0.87 0.00 0.00 176.83 177.23 1g99 h ILE 339 N 0.55 1.29 -0.73 0.95 2.04 -1.91 -1.58 117.51 118.12 1g99 h ILE 339 Ca 0.00 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.34 1g99 h ILE 339 Cb 1.17 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 1g99 h ILE 339 CO 0.12 0.49 0.42 0.03 0.00 0.00 0.00 178.15 179.21 1g99 h ARG 340 N 0.58 0.99 0.14 2.37 3.08 -1.17 -1.38 114.38 118.99 1g99 h ARG 340 Ca 0.06 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1g99 h ARG 340 Cb 0.89 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1g99 h ARG 340 CO 0.08 0.71 -0.07 -0.22 -1.07 0.00 0.00 179.97 179.40 1g99 h LYS 341 N 1.01 -0.18 -0.72 0.04 3.11 -0.92 -0.05 116.57 118.87 1g99 h LYS 341 Ca 0.26 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.20 1g99 h LYS 341 Cb -0.02 0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.19 1g99 h LYS 341 CO -0.05 -0.03 0.37 0.00 -2.81 0.00 0.00 179.45 176.94 1g99 h ARG 342 N -0.29 0.63 -0.31 1.90 3.08 -0.81 -2.19 114.38 116.39 1g99 h ARG 342 Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1g99 h ARG 342 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1g99 h ARG 342 CO 0.03 0.42 -0.06 0.82 -1.07 0.00 0.00 179.97 180.11 1g99 h ILE 343 N 0.65 1.28 -0.06 2.04 2.04 -1.04 -3.29 117.51 119.11 1g99 h ILE 343 Ca 0.35 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1g99 h ILE 343 Cb 0.33 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1g99 h ILE 343 CO -0.25 0.35 0.00 0.18 0.00 0.00 0.00 178.15 178.43 1g99 n LEU 344 N -4.48 1.18 -4.75 1.44 4.77 -0.05 -4.63 117.00 110.48 1g99 n LEU 344 Ca -0.03 -0.44 -0.40 0.00 -0.03 0.00 0.00 56.01 55.11 1g99 n LEU 344 Cb 0.31 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1g99 n LEU 344 CO 0.40 0.22 0.67 -0.89 -1.33 0.00 0.00 177.39 176.46 1g99 s THR 345 N -1.93 4.09 -0.22 -5.08 2.01 -0.85 -3.97 115.64 109.69 1g99 s THR 345 Ca 0.36 2.03 -0.00 0.00 0.31 0.00 0.00 61.69 64.39 1g99 s THR 345 Cb 0.19 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1g99 s THR 345 CO 0.30 0.45 0.02 0.61 -0.69 0.00 0.00 174.62 175.31 1g99 n GLY 346 N 1.61 0.32 0.02 4.40 0.00 -1.26 -4.96 105.19 105.32 1g99 n GLY 346 Ca -0.01 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.27 1g99 n GLY 346 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g99 n LEU 347 N -0.47 1.68 0.26 0.99 4.77 -1.25 -4.68 117.00 118.29 1g99 n LEU 347 Ca -0.03 -1.79 0.08 0.00 -0.03 0.00 0.00 56.01 54.25 1g99 n LEU 347 Cb 0.52 -0.05 0.65 0.00 -2.33 0.00 0.00 43.42 42.21 1g99 n LEU 347 CO 0.04 0.44 1.04 -2.24 -1.33 0.00 0.00 177.39 175.34 1g99 h ASP 348 N 0.00 0.00 -0.00 -1.43 2.03 -1.73 0.77 116.42 116.06 1g99 h ASP 348 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1g99 h ASP 348 Cb 0.66 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1g99 h ASP 348 CO 0.00 0.04 0.05 1.23 -1.03 0.00 0.00 179.24 179.54 1g99 h GLY 349 N 0.15 0.00 -1.15 7.15 0.00 -1.84 -0.33 103.07 107.05 1g99 h GLY 349 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1g99 h GLY 349 CO 0.01 0.00 -0.37 0.29 0.00 0.00 0.00 176.54 176.47 1g99 n ILE 350 N -3.10 2.26 -0.72 2.60 -5.35 0.21 -4.97 119.36 110.28 1g99 n ILE 350 Ca -0.03 -3.05 0.00 0.00 -0.27 0.00 0.00 62.75 59.40 1g99 n ILE 350 Cb 0.12 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 1g99 n ILE 350 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g99 n GLY 351 N -1.14 0.71 3.38 3.28 0.00 -0.13 -4.82 105.19 106.47 1g99 n GLY 351 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1g99 n GLY 351 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g99 s ILE 352 N -2.45 3.89 -0.09 -0.61 1.01 -0.88 -1.37 121.20 120.70 1g99 s ILE 352 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1g99 s ILE 352 Cb 0.00 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.71 1g99 s ILE 352 CO 0.00 0.38 0.20 -0.75 0.00 0.00 0.00 174.94 174.76 1g99 s LYS 353 N 1.55 0.15 0.32 2.79 2.20 -1.26 -2.04 119.74 123.44 1g99 s LYS 353 Ca 0.06 0.46 0.09 0.00 -0.36 0.00 0.00 55.97 56.22 1g99 s LYS 353 Cb -0.15 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 35.97 1g99 s LYS 353 CO 0.01 -0.17 0.01 0.96 -0.36 0.00 0.00 175.35 175.79 1g99 s ILE 354 N 1.27 2.81 -0.34 5.43 -4.36 -1.26 -1.69 121.20 123.06 1g99 s ILE 354 Ca -0.09 -1.97 -0.12 0.00 -0.26 0.00 0.00 60.65 58.22 1g99 s ILE 354 Cb -0.11 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.81 1g99 s ILE 354 CO -0.07 -0.25 0.22 -0.62 0.24 0.00 0.00 174.94 174.46 1g99 s ASP 355 N -3.71 5.90 0.46 4.36 -1.08 0.45 -4.63 116.67 118.43 1g99 s ASP 355 Ca 0.34 -0.51 0.18 0.00 -0.52 0.00 0.00 52.55 52.04 1g99 s ASP 355 Cb -0.02 -2.09 1.16 0.00 -1.46 0.00 0.00 42.92 40.50 1g99 s ASP 355 CO 0.19 -0.24 1.97 0.44 0.52 0.00 0.00 175.17 178.05 1g99 h ASP 356 N 8.45 0.25 0.01 -0.34 3.32 -1.99 -0.88 116.42 125.25 1g99 h ASP 356 Ca -0.31 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.53 1g99 h ASP 356 Cb 1.15 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 40.68 1g99 h ASP 356 CO 0.64 0.14 -0.87 -0.33 -1.72 0.00 0.00 179.24 177.09 1g99 h GLU 357 N 0.27 0.58 -0.29 3.56 4.39 -1.95 -3.18 114.58 117.96 1g99 h GLU 357 Ca 0.29 -0.63 -0.05 0.00 0.34 0.00 0.00 59.36 59.30 1g99 h GLU 357 Cb 0.76 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 1g99 h GLU 357 CO -0.06 1.24 -0.04 0.87 -1.16 0.00 0.00 179.01 179.86 1g99 h LYS 358 N 0.18 0.45 0.00 2.33 1.57 -1.74 -1.94 116.57 117.42 1g99 h LYS 358 Ca -0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1g99 h LYS 358 Cb 1.56 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1g99 h LYS 358 CO 0.17 0.51 0.00 -1.71 -0.57 0.00 0.00 179.45 177.85 1g99 n ASN 359 N -4.28 0.37 0.12 0.86 5.15 -0.39 -2.29 115.26 114.80 1g99 n ASN 359 Ca 0.01 0.64 0.12 0.00 -0.60 0.00 0.00 54.58 54.74 1g99 n ASN 359 Cb 0.25 -0.70 0.13 0.00 -0.53 0.00 0.00 39.78 38.94 1g99 n ASN 359 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1g99 h LYS 360 N 0.00 0.00 -7.05 1.20 1.57 -1.39 -3.42 116.57 107.49 1g99 h LYS 360 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1g99 h LYS 360 Cb 0.13 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.55 1g99 h LYS 360 CO 0.00 0.00 0.54 0.42 -0.57 0.00 0.00 179.45 179.84 1g99 s ILE 361 N -3.24 2.48 0.07 1.86 1.01 -0.97 -5.00 121.20 117.41 1g99 s ILE 361 Ca 0.04 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.07 1g99 s ILE 361 Cb 0.10 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1g99 s ILE 361 CO 0.72 -0.02 -0.10 -0.13 0.00 0.00 0.00 174.94 175.41 1g99 s ARG 362 N -2.98 0.73 -1.32 2.79 0.52 -1.26 -4.87 118.95 112.56 1g99 s ARG 362 Ca 0.72 -1.00 -0.06 0.00 -0.52 0.00 0.00 55.73 54.87 1g99 s ARG 362 Cb -0.35 -0.49 0.01 0.00 0.52 0.00 0.00 34.95 34.65 1g99 s ARG 362 CO 0.40 0.08 1.07 0.41 0.02 0.00 0.00 175.30 177.29 1g99 n GLY 363 N 0.96 -0.46 3.28 -3.53 0.00 -1.26 -5.01 105.19 99.17 1g99 n GLY 363 Ca -0.19 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1g99 n GLY 363 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g99 s GLN 364 N -6.00 0.51 -0.13 1.61 -1.52 -1.26 -5.05 119.66 107.83 1g99 s GLN 364 Ca 0.36 0.41 -0.29 0.00 -1.95 0.00 0.00 55.36 53.88 1g99 s GLN 364 Cb -0.16 0.24 -0.03 0.00 -0.22 0.00 0.00 33.01 32.85 1g99 s GLN 364 CO 0.75 -0.09 1.37 -1.21 -0.25 0.00 0.00 175.29 175.86 1g99 s GLU 365 N -0.10 4.22 -0.06 2.91 2.02 -1.25 -4.57 118.70 121.87 1g99 s GLU 365 Ca -0.03 1.81 -0.22 0.00 0.02 0.00 0.00 54.97 56.56 1g99 s GLU 365 Cb -0.03 -3.81 0.05 0.00 0.10 0.00 0.00 34.13 30.43 1g99 s GLU 365 CO 0.01 -0.73 0.50 -1.50 0.02 0.00 0.00 175.26 173.56 1g99 s ILE 366 N 3.57 0.02 -0.27 -1.63 2.07 -0.42 -4.97 121.20 119.56 1g99 s ILE 366 Ca 0.60 -0.20 -0.21 0.00 -1.41 0.00 0.00 60.65 59.43 1g99 s ILE 366 Cb -0.25 -0.79 -0.01 0.00 0.13 0.00 0.00 42.46 41.54 1g99 s ILE 366 CO 0.19 -0.11 0.65 -0.62 -1.91 0.00 0.00 174.94 173.14 1g99 s ASP 367 N -1.00 6.57 0.00 4.50 -1.08 -1.26 -0.63 116.67 123.77 1g99 s ASP 367 Ca -0.10 0.63 0.17 0.00 -0.52 0.00 0.00 52.55 52.73 1g99 s ASP 367 Cb -0.03 -2.35 0.43 0.00 -1.46 0.00 0.00 42.92 39.52 1g99 s ASP 367 CO 0.06 -0.43 1.35 2.30 0.52 0.00 0.00 175.17 178.97 1g99 n ILE 368 N 5.29 0.84 -2.58 4.11 -5.35 0.06 -4.98 119.36 116.75 1g99 n ILE 368 Ca -0.00 -0.92 -0.29 0.00 -0.27 0.00 0.00 62.75 61.26 1g99 n ILE 368 Cb 0.49 0.64 -0.01 0.00 -1.74 0.00 0.00 39.64 39.01 1g99 n ILE 368 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1g99 s SER 369 N -1.08 6.38 0.62 7.28 1.04 -1.25 -0.41 113.70 126.28 1g99 s SER 369 Ca 0.35 1.12 -0.17 0.00 0.48 0.00 0.00 55.95 57.72 1g99 s SER 369 Cb 0.19 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 1g99 s SER 369 CO 0.25 -0.56 1.16 0.42 0.98 0.00 0.00 173.24 175.49 1g99 s THR 370 N -2.67 2.87 0.52 2.02 -4.23 -0.68 -4.60 115.64 108.87 1g99 s THR 370 Ca 0.51 0.48 0.40 0.00 -1.18 0.00 0.00 61.69 61.90 1g99 s THR 370 Cb -0.10 -3.10 0.42 0.00 1.34 0.00 0.00 72.50 71.05 1g99 s THR 370 CO 0.40 -0.17 2.26 1.55 -0.54 0.00 0.00 174.62 178.12 1g99 h PRO 371 N 0.54 0.00 -0.00 3.99 0.13 -1.96 -2.59 132.00 132.11 1g99 h PRO 371 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1g99 h PRO 371 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1g99 h PRO 371 CO 0.54 0.01 -0.52 -0.40 -0.23 0.00 0.00 178.00 177.40 1g99 n ASP 372 N -3.17 0.80 -4.76 1.44 5.75 -1.26 -4.95 116.55 110.41 1g99 n ASP 372 Ca -0.02 -0.60 -0.41 0.00 -0.01 0.00 0.00 54.79 53.75 1g99 n ASP 372 Cb 0.14 0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 1g99 n ASP 372 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1g99 s ALA 373 N -2.85 3.66 0.25 2.12 0.00 -0.98 -4.92 121.76 119.04 1g99 s ALA 373 Ca 0.14 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.55 1g99 s ALA 373 Cb 0.18 -3.60 0.31 0.00 0.00 0.00 0.00 23.12 20.01 1g99 s ALA 373 CO 0.67 -0.89 1.73 -0.22 0.00 0.00 0.00 175.76 177.06 1g99 h LYS 374 N 4.46 0.77 -5.28 0.00 3.64 -1.86 -3.42 116.57 114.87 1g99 h LYS 374 Ca -0.47 -0.23 -0.62 0.00 -1.27 0.00 0.00 60.65 58.05 1g99 h LYS 374 Cb 1.22 -0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 32.79 1g99 h LYS 374 CO 0.75 0.82 -0.60 0.08 -2.27 0.00 0.00 179.45 178.23 1g99 s VAL 375 N -4.88 4.50 0.34 2.00 1.01 -0.47 -4.95 120.40 117.95 1g99 s VAL 375 Ca -0.09 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 1g99 s VAL 375 Cb 0.14 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 1g99 s VAL 375 CO 0.81 0.47 0.86 -0.13 0.00 0.00 0.00 175.10 177.11 1g99 s ARG 376 N 0.39 4.27 -0.24 2.72 1.81 -0.72 -4.65 118.95 122.53 1g99 s ARG 376 Ca 0.01 1.02 0.02 0.00 -1.72 0.00 0.00 55.73 55.05 1g99 s ARG 376 Cb -0.13 -2.52 0.06 0.00 -0.45 0.00 0.00 34.95 31.91 1g99 s ARG 376 CO 0.01 0.17 -0.08 0.08 -0.68 0.00 0.00 175.30 174.80 1g99 s VAL 377 N -1.88 1.77 -0.00 3.52 1.01 -1.26 -0.85 120.40 122.71 1g99 s VAL 377 Ca 0.54 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1g99 s VAL 377 Cb -0.13 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1g99 s VAL 377 CO 0.18 -0.03 0.03 -0.36 0.00 0.00 0.00 175.10 174.92 1g99 s PHE 378 N 1.29 3.16 -0.23 5.22 0.08 -0.28 -0.76 117.98 126.46 1g99 s PHE 378 Ca -0.06 0.13 -0.06 0.00 0.12 0.00 0.00 56.93 57.05 1g99 s PHE 378 Cb -0.19 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1g99 s PHE 378 CO -0.06 0.50 0.04 0.08 -0.10 0.00 0.00 175.22 175.68 1g99 s VAL 379 N -1.12 4.19 -0.15 -0.44 1.01 0.20 -1.26 120.40 122.83 1g99 s VAL 379 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1g99 s VAL 379 Cb -0.12 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.38 1g99 s VAL 379 CO 0.11 0.38 0.03 -0.63 0.00 0.00 0.00 175.10 174.99 1g99 s ILE 380 N 1.35 0.45 0.30 2.22 1.01 -0.60 -1.30 121.20 124.63 1g99 s ILE 380 Ca 0.05 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1g99 s ILE 380 Cb -0.15 -0.85 -0.11 0.00 0.01 0.00 0.00 42.46 41.36 1g99 s ILE 380 CO 0.02 -0.05 1.60 -2.84 0.00 0.00 0.00 174.94 173.67 1g99 s PRO 381 N 1.91 4.11 0.35 2.79 0.02 -1.26 -4.38 135.00 138.53 1g99 s PRO 381 Ca 0.01 2.60 -0.08 0.00 0.02 0.00 0.00 61.00 63.54 1g99 s PRO 381 Cb -0.15 -3.01 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 1g99 s PRO 381 CO -0.07 -0.64 0.67 -0.08 -0.33 0.00 0.00 177.00 176.55 1g99 s THR 382 N -0.08 4.88 -0.42 0.99 -1.32 -1.26 -4.93 115.64 113.51 1g99 s THR 382 Ca 0.63 0.40 0.07 0.00 -1.21 0.00 0.00 61.69 61.58 1g99 s THR 382 Cb -0.48 -3.72 0.23 0.00 -1.51 0.00 0.00 72.50 67.02 1g99 s THR 382 CO 0.49 -0.41 0.50 -3.20 -2.21 0.00 0.00 174.62 169.79 1g99 n ASN 383 N -1.06 0.32 -0.05 8.08 2.85 -1.26 -4.95 115.26 119.19 1g99 n ASN 383 Ca 0.01 -2.69 0.02 0.00 -0.11 0.00 0.00 54.58 51.81 1g99 n ASN 383 Cb 0.54 -0.63 0.34 0.00 1.24 0.00 0.00 39.78 41.27 1g99 n ASN 383 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1g99 h GLU 384 N 4.34 0.64 -0.66 1.20 5.08 -1.95 -3.06 114.58 120.18 1g99 h GLU 384 Ca 0.12 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1g99 h GLU 384 Cb 0.87 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1g99 h GLU 384 CO 0.47 0.49 0.30 0.93 -1.00 0.00 0.00 179.01 180.21 1g99 h GLU 385 N 0.65 0.96 -0.39 2.33 3.07 -1.97 0.11 114.58 119.35 1g99 h GLU 385 Ca 0.17 -0.15 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1g99 h GLU 385 Cb 0.05 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1g99 h GLU 385 CO -0.02 0.77 -0.11 1.25 -1.40 0.00 0.00 179.01 179.50 1g99 h LEU 386 N 0.92 0.67 -0.39 1.33 5.85 -1.97 -0.94 115.31 120.77 1g99 h LEU 386 Ca 0.23 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1g99 h LEU 386 Cb 0.14 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1g99 h LEU 386 CO -0.03 0.81 -0.02 0.00 -0.34 0.00 0.00 178.44 178.86 1g99 h ALA 387 N 1.26 0.53 -0.72 1.25 0.00 -1.35 -0.70 119.26 119.54 1g99 h ALA 387 Ca 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1g99 h ALA 387 Cb 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1g99 h ALA 387 CO 0.03 0.33 0.30 0.82 0.00 0.00 0.00 179.25 180.74 1g99 h ILE 388 N 0.53 1.24 -0.54 0.00 2.04 -0.54 -2.58 117.51 117.67 1g99 h ILE 388 Ca 0.11 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1g99 h ILE 388 Cb 0.50 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1g99 h ILE 388 CO 0.02 0.30 0.08 0.00 0.00 0.00 0.00 178.15 178.56 1g99 h ALA 389 N 1.15 1.13 -0.23 1.87 0.00 -0.95 -0.47 119.26 121.76 1g99 h ALA 389 Ca 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g99 h ALA 389 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1g99 h ALA 389 CO -0.02 0.57 0.14 0.00 0.00 0.00 0.00 179.25 179.94 1g99 h ARG 390 N 0.81 0.32 -0.58 0.00 3.08 -0.87 -0.66 114.38 116.48 1g99 h ARG 390 Ca 0.17 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1g99 h ARG 390 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1g99 h ARG 390 CO 0.01 0.25 0.34 0.93 -1.07 0.00 0.00 179.97 180.42 1g99 h GLU 391 N 0.29 0.79 -0.22 0.04 4.39 -1.11 -1.91 114.58 116.84 1g99 h GLU 391 Ca 0.08 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1g99 h GLU 391 Cb 0.02 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1g99 h GLU 391 CO -0.02 0.58 0.08 1.15 -1.16 0.00 0.00 179.01 179.65 1g99 h THR 392 N 0.78 0.95 0.09 1.13 2.02 -0.84 -0.98 112.91 116.06 1g99 h THR 392 Ca 0.21 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.34 1g99 h THR 392 Cb 0.00 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1g99 h THR 392 CO -0.04 0.03 -0.20 0.50 0.37 0.00 0.00 175.52 176.18 1g99 h LYS 393 N 0.19 -0.36 -0.27 6.66 1.63 -0.97 -0.05 116.57 123.40 1g99 h LYS 393 Ca 0.10 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.97 1g99 h LYS 393 Cb 0.06 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 1g99 h LYS 393 CO -0.09 -0.24 -0.05 0.93 -3.45 0.00 0.00 179.45 176.55 1g99 h GLU 394 N -0.38 0.02 -0.23 1.90 5.08 -1.06 0.12 114.58 120.04 1g99 h GLU 394 Ca 0.03 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1g99 h GLU 394 Cb 0.41 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1g99 h GLU 394 CO -0.12 0.02 -0.01 0.82 -1.00 0.00 0.00 179.01 178.71 1g99 h ILE 395 N 0.02 1.26 0.00 3.13 1.08 -1.07 -2.61 117.51 119.32 1g99 h ILE 395 Ca 0.13 -0.92 -0.05 0.00 -0.39 0.00 0.00 64.86 63.63 1g99 h ILE 395 Cb 0.19 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 1g99 h ILE 395 CO -0.26 0.29 -0.22 0.58 -0.69 0.00 0.00 178.15 177.85 1g99 h VAL 396 N 0.17 0.76 0.00 1.67 2.07 -0.84 -2.73 116.25 117.36 1g99 h VAL 396 Ca 0.06 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1g99 h VAL 396 Cb 0.42 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1g99 h VAL 396 CO 0.01 0.21 -0.31 -0.08 0.02 0.00 0.00 177.57 177.42 1g99 h GLU 397 N 0.00 0.00 0.00 1.57 4.81 -0.56 -3.51 114.58 116.89 1g99 h GLU 397 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1g99 h GLU 397 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1g99 h GLU 397 CO 0.03 0.31 0.00 -2.37 -0.73 0.00 0.00 179.01 176.25