#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 3.41 -0.12 2.12 1.02 -1.26 0.08 119.74 124.99 1g99 s LYS 2 Ca 0.00 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.35 1g99 s LYS 2 Cb 0.00 -2.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1g99 s LYS 2 CO 0.00 0.03 -0.09 0.08 -0.92 0.00 0.00 175.35 174.45 1g99 s VAL 3 N 0.87 3.44 -0.23 3.17 1.01 0.23 -1.54 120.40 127.36 1g99 s VAL 3 Ca -0.02 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1g99 s VAL 3 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1g99 s VAL 3 CO 0.01 0.54 0.21 -0.22 0.00 0.00 0.00 175.10 175.63 1g99 s LEU 4 N 0.02 4.12 -0.17 3.92 2.96 -0.34 -0.45 118.68 128.74 1g99 s LEU 4 Ca -0.02 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1g99 s LEU 4 Cb -0.14 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1g99 s LEU 4 CO 0.03 0.04 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.38 1g99 s VAL 5 N 1.11 3.79 -0.00 1.68 1.01 0.33 -0.75 120.40 127.57 1g99 s VAL 5 Ca 0.10 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1g99 s VAL 5 Cb -0.14 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 1g99 s VAL 5 CO 0.05 0.47 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 1g99 s ILE 6 N 0.68 2.65 -0.20 2.22 -1.09 -0.57 -1.74 121.20 123.15 1g99 s ILE 6 Ca -0.02 -1.04 -0.05 0.00 -2.23 0.00 0.00 60.65 57.32 1g99 s ILE 6 Cb -0.14 -2.04 0.07 0.00 -1.58 0.00 0.00 42.46 38.76 1g99 s ILE 6 CO 0.02 0.48 0.10 0.21 -1.23 0.00 0.00 174.94 174.52 1g99 s ASN 7 N -1.01 2.69 -0.12 3.58 3.84 -0.51 -4.39 114.94 119.03 1g99 s ASN 7 Ca 0.12 -0.81 -0.05 0.00 0.21 0.00 0.00 52.86 52.33 1g99 s ASN 7 Cb -0.10 -0.28 -0.04 0.00 -0.55 0.00 0.00 41.25 40.28 1g99 s ASN 7 CO 0.02 -0.37 0.07 0.00 -2.79 0.00 0.00 177.10 174.03 1g99 s ALA 8 N 2.12 3.54 0.53 1.71 0.00 -1.26 -1.24 121.76 127.16 1g99 s ALA 8 Ca 0.04 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1g99 s ALA 8 Cb -0.16 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.19 1g99 s ALA 8 CO -0.17 0.50 0.12 0.20 0.00 0.00 0.00 175.76 176.41 1g99 s GLY 9 N -0.62 2.88 0.20 0.00 0.00 -0.62 -4.80 107.32 104.37 1g99 s GLY 9 Ca 0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 1g99 s GLY 9 CO 0.02 -2.14 1.67 1.76 0.00 0.00 0.00 173.10 174.41 1g99 h SER 10 N 1.13 -0.26 0.00 1.64 0.02 -2.00 -3.20 113.55 110.88 1g99 h SER 10 Ca -0.42 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1g99 h SER 10 Cb 1.32 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 1g99 h SER 10 CO 0.69 -0.10 -0.25 -1.54 -1.14 0.00 0.00 176.83 174.48 1g99 n SER 11 N -5.27 1.19 -4.26 3.07 3.41 -1.26 -4.93 113.62 105.58 1g99 n SER 11 Ca 0.08 -2.56 -0.14 0.00 -0.26 0.00 0.00 58.87 55.99 1g99 n SER 11 Cb 0.32 -0.32 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.96 0.70 -0.28 4.04 1.04 -1.21 -1.09 113.70 114.94 1g99 s SER 12 Ca 0.16 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 1g99 s SER 12 Cb 0.14 0.26 0.17 0.00 0.10 0.00 0.00 66.02 66.69 1g99 s SER 12 CO 0.01 -0.77 0.51 -0.22 0.98 0.00 0.00 173.24 173.76 1g99 s LEU 13 N -3.23 -1.12 0.05 2.42 2.96 -0.21 -1.58 118.68 117.96 1g99 s LEU 13 Ca 0.37 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.68 1g99 s LEU 13 Cb 0.07 1.73 -0.05 0.00 0.50 0.00 0.00 46.19 48.44 1g99 s LEU 13 CO 0.12 -0.28 0.36 -0.54 -1.32 0.00 0.00 176.35 174.68 1g99 s LYS 14 N 2.73 3.71 0.09 1.98 1.02 -0.37 -0.97 119.74 127.94 1g99 s LYS 14 Ca 0.16 0.12 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 1g99 s LYS 14 Cb -0.14 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 1g99 s LYS 14 CO -0.21 0.60 0.18 1.52 -0.92 0.00 0.00 175.35 176.53 1g99 s TYR 15 N -1.33 0.21 -0.13 3.18 1.13 -0.86 -1.42 117.35 118.13 1g99 s TYR 15 Ca 0.30 -0.64 -0.10 0.00 -1.41 0.00 0.00 57.07 55.22 1g99 s TYR 15 Cb -0.14 -0.09 0.04 0.00 -1.10 0.00 0.00 41.96 40.67 1g99 s TYR 15 CO 0.17 -0.55 0.33 -0.65 -2.51 0.00 0.00 175.55 172.33 1g99 s GLN 16 N -3.88 0.35 -0.24 -3.49 -0.21 -0.71 -1.34 119.66 110.14 1g99 s GLN 16 Ca 0.07 0.52 -0.06 0.00 0.02 0.00 0.00 55.36 55.91 1g99 s GLN 16 Cb 0.05 0.10 -0.02 0.00 1.00 0.00 0.00 33.01 34.14 1g99 s GLN 16 CO -0.10 -0.08 0.03 -1.17 -2.12 0.00 0.00 175.29 171.85 1g99 s LEU 17 N 0.55 3.29 -0.10 2.90 2.96 -0.71 -0.51 118.68 127.06 1g99 s LEU 17 Ca -0.03 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1g99 s LEU 17 Cb -0.05 -1.86 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 1g99 s LEU 17 CO -0.03 -0.05 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.10 1g99 s ILE 18 N 1.56 2.22 -0.32 6.68 1.01 0.40 -0.86 121.20 131.89 1g99 s ILE 18 Ca 0.06 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.51 1g99 s ILE 18 Cb -0.15 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1g99 s ILE 18 CO 0.01 0.56 0.77 -0.62 0.00 0.00 0.00 174.94 175.65 1g99 s ASP 19 N 0.28 6.62 0.00 3.58 -1.08 -0.39 -0.60 116.67 125.08 1g99 s ASP 19 Ca -0.16 0.57 0.24 0.00 -0.52 0.00 0.00 52.55 52.68 1g99 s ASP 19 Cb -0.17 -2.39 1.13 0.00 -1.46 0.00 0.00 42.92 40.02 1g99 s ASP 19 CO 0.08 -0.62 1.79 0.23 0.52 0.00 0.00 175.17 177.17 1g99 n MET 20 N 6.21 0.16 -0.17 4.34 2.81 0.11 0.36 117.12 130.94 1g99 n MET 20 Ca 0.03 0.07 -0.11 0.00 -1.81 0.00 0.00 57.70 55.88 1g99 n MET 20 Cb 0.48 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 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 1.27 0.00 2.03 2.02 -1.92 -3.32 112.91 113.00 1g99 h THR 21 Ca 0.00 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1g99 h THR 21 Cb 0.33 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1g99 h THR 21 CO 0.00 0.44 0.00 -0.46 0.37 0.00 0.00 175.52 175.87 1g99 n ASN 22 N -4.21 1.34 -4.06 4.18 2.04 -1.20 -5.01 115.26 108.34 1g99 n ASN 22 Ca 0.00 -1.59 -0.33 0.00 -0.44 0.00 0.00 54.58 52.22 1g99 n ASN 22 Cb 0.40 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.65 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 -0.30 -4.42 -3.75 -3.83 1.02 0.16 -4.96 120.64 104.56 1g99 n GLU 23 Ca 0.00 0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 57.27 1g99 n GLU 23 Cb 0.26 -5.31 -0.07 0.00 -0.02 0.00 0.00 31.44 26.30 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 -3.30 6.31 -0.65 1.62 0.15 -0.89 -4.89 113.70 112.05 1g99 s SER 24 Ca 0.70 0.36 -0.27 0.00 0.70 0.00 0.00 55.95 57.44 1g99 s SER 24 Cb -0.37 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1g99 s SER 24 CO 0.88 0.24 1.19 0.00 1.20 0.00 0.00 173.24 176.75 1g99 s ALA 25 N -0.09 2.92 0.17 5.45 0.00 -1.26 -1.26 121.76 127.68 1g99 s ALA 25 Ca 0.12 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 1g99 s ALA 25 Cb -0.12 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 18.95 1g99 s ALA 25 CO 0.01 -2.92 1.59 -0.07 0.00 0.00 0.00 175.76 174.37 1g99 h LEU 26 N 12.26 1.04 -7.41 0.00 3.38 -1.38 -3.41 115.31 119.80 1g99 h LEU 26 Ca -0.27 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 1g99 h LEU 26 Cb 1.06 -0.28 -0.22 0.00 0.09 0.00 0.00 40.66 41.31 1g99 h LEU 26 CO 1.22 1.15 -0.24 0.00 0.09 0.00 0.00 178.44 180.67 1g99 s ALA 27 N -4.84 -0.92 -0.03 1.53 0.00 -1.22 -0.64 121.76 115.65 1g99 s ALA 27 Ca -0.12 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.56 1g99 s ALA 27 Cb 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 1g99 s ALA 27 CO 0.87 -0.24 -0.14 0.08 0.00 0.00 0.00 175.76 176.33 1g99 s VAL 28 N -0.76 1.14 0.27 0.00 1.01 -0.05 -1.74 120.40 120.27 1g99 s VAL 28 Ca -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1g99 s VAL 28 Cb -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1g99 s VAL 28 CO 0.03 0.34 0.36 -0.83 0.00 0.00 0.00 175.10 175.00 1g99 s GLY 29 N 0.03 1.28 -0.20 4.51 0.00 -0.45 -0.11 107.32 112.38 1g99 s GLY 29 Ca -0.02 -1.44 -0.11 0.00 0.00 0.00 0.00 44.72 43.15 1g99 s GLY 29 CO 0.01 -1.05 0.48 -2.27 0.00 0.00 0.00 173.10 170.27 1g99 s LEU 30 N -3.17 -0.33 -0.18 0.66 2.96 -0.12 -2.04 118.68 116.47 1g99 s LEU 30 Ca 0.32 1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 55.24 1g99 s LEU 30 Cb 0.02 1.61 -0.02 0.00 0.50 0.00 0.00 46.19 48.30 1g99 s LEU 30 CO 0.15 -0.21 -0.03 0.00 -1.32 0.00 0.00 176.35 174.95 1g99 s GLU 32 N 0.75 1.66 -1.51 0.00 2.02 0.06 -1.05 118.70 120.63 1g99 s GLU 32 Ca -0.01 -1.85 -0.13 0.00 0.02 0.00 0.00 54.97 53.00 1g99 s GLU 32 Cb -0.14 -1.36 0.07 0.00 0.10 0.00 0.00 34.13 32.80 1g99 s GLU 32 CO 0.02 0.07 0.99 0.54 0.02 0.00 0.00 175.26 176.90 1g99 n ARG 33 N -0.67 -5.75 -2.30 1.61 1.74 -0.89 -2.45 116.66 107.94 1g99 n ARG 33 Ca -0.05 0.62 -0.41 0.00 -0.77 0.00 0.00 57.85 57.24 1g99 n ARG 33 Cb 0.64 -5.51 -0.03 0.00 -1.02 0.00 0.00 32.46 26.53 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 -3.32 3.16 0.00 0.55 1.01 -0.25 -2.35 121.20 120.00 1g99 s ILE 34 Ca 0.62 1.13 0.00 0.00 0.00 0.00 0.00 60.65 62.41 1g99 s ILE 34 Cb -0.31 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1g99 s ILE 34 CO 0.82 0.26 0.00 0.61 0.00 0.00 0.00 174.94 176.63 1g99 n GLY 35 N 1.21 0.56 1.09 6.18 0.00 0.17 -4.69 105.19 109.71 1g99 n GLY 35 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.38 0.00 -3.61 -0.61 5.41 -0.99 -5.00 119.36 112.18 1g99 n ILE 36 Ca 0.00 -0.74 -0.29 0.00 1.00 0.00 0.00 62.75 62.73 1g99 n ILE 36 Cb 0.06 0.19 -0.04 0.00 -0.71 0.00 0.00 39.64 39.14 1g99 n ILE 36 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1g99 s ASP 37 N -1.83 6.42 -0.89 4.38 1.47 -1.26 -4.44 116.67 120.52 1g99 s ASP 37 Ca 0.02 0.52 -0.02 0.00 1.18 0.00 0.00 52.55 54.25 1g99 s ASP 37 Cb 0.00 -2.06 0.00 0.00 -0.34 0.00 0.00 42.92 40.52 1g99 s ASP 37 CO 0.02 -0.05 0.76 0.59 0.68 0.00 0.00 175.17 177.16 1g99 n ASN 38 N -0.54 -2.83 -4.74 2.11 3.02 -1.26 -4.97 115.26 106.05 1g99 n ASN 38 Ca -0.03 -0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 53.76 1g99 n ASN 38 Cb 0.53 -3.82 0.09 0.00 -0.61 0.00 0.00 39.78 35.97 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 -3.79 4.33 -0.19 6.41 0.01 -1.23 -4.85 113.70 114.39 1g99 s SER 39 Ca 0.11 2.13 -0.17 0.00 1.31 0.00 0.00 55.95 59.33 1g99 s SER 39 Cb -0.05 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.67 1g99 s SER 39 CO 0.53 -2.16 0.49 -0.51 0.41 0.00 0.00 173.24 172.00 1g99 s ILE 40 N -2.36 -0.00 -0.08 1.44 2.07 -1.02 -2.76 121.20 118.49 1g99 s ILE 40 Ca 0.69 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.97 1g99 s ILE 40 Cb -0.23 -0.69 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1g99 s ILE 40 CO 0.48 0.00 -0.22 -0.51 -1.91 0.00 0.00 174.94 172.77 1g99 s ILE 41 N 0.29 2.24 -0.06 2.00 2.07 -0.92 -0.77 121.20 126.05 1g99 s ILE 41 Ca -0.00 -0.98 0.03 0.00 -1.41 0.00 0.00 60.65 58.29 1g99 s ILE 41 Cb -0.04 -1.85 0.01 0.00 0.13 0.00 0.00 42.46 40.71 1g99 s ILE 41 CO 0.00 0.56 -0.15 -0.89 -1.91 0.00 0.00 174.94 172.55 1g99 s THR 42 N 0.08 1.35 -0.03 4.00 2.01 -0.26 -1.65 115.64 121.13 1g99 s THR 42 Ca -0.10 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1g99 s THR 42 Cb -0.16 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1g99 s THR 42 CO 0.06 0.40 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.69 1g99 s GLN 43 N 0.43 1.16 -0.15 4.92 0.74 0.15 -0.95 119.66 125.96 1g99 s GLN 43 Ca -0.12 -0.39 -0.00 0.00 0.05 0.00 0.00 55.36 54.89 1g99 s GLN 43 Cb -0.15 -1.06 -0.01 0.00 1.10 0.00 0.00 33.01 32.89 1g99 s GLN 43 CO 0.04 0.16 -0.13 0.15 -0.55 0.00 0.00 175.29 174.96 1g99 s LYS 44 N 0.11 3.31 0.17 1.67 1.02 0.84 -0.80 119.74 126.05 1g99 s LYS 44 Ca -0.02 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.19 1g99 s LYS 44 Cb -0.09 -2.68 -0.06 0.00 -0.52 0.00 0.00 37.83 34.48 1g99 s LYS 44 CO 0.01 0.07 0.43 0.21 -0.92 0.00 0.00 175.35 175.15 1g99 s LYS 45 N 0.71 3.68 0.30 1.68 2.20 0.23 -0.88 119.74 127.66 1g99 s LYS 45 Ca -0.06 0.04 0.05 0.00 -0.36 0.00 0.00 55.97 55.64 1g99 s LYS 45 Cb -0.15 -2.79 0.79 0.00 -1.51 0.00 0.00 37.83 34.16 1g99 s LYS 45 CO 0.02 0.43 1.65 0.35 -0.36 0.00 0.00 175.35 177.43 1g99 h PHE 46 N 2.79 0.47 0.00 4.03 3.04 -1.10 -2.16 116.94 124.00 1g99 h PHE 46 Ca -0.46 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.53 1g99 h PHE 46 Cb 1.17 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.62 1g99 h PHE 46 CO 0.62 -0.20 0.00 -0.40 -2.02 0.00 0.00 178.31 176.31 1g99 n ASP 47 N -5.19 1.76 -0.87 0.41 5.68 -1.26 -4.82 116.55 112.26 1g99 n ASP 47 Ca 0.23 -1.96 -0.03 0.00 -0.50 0.00 0.00 54.79 52.54 1g99 n ASP 47 Cb 0.74 -0.49 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 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 0.21 0.74 3.18 6.12 0.00 -0.81 -5.05 105.19 109.58 1g99 n GLY 48 Ca 0.00 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -5.12 2.93 -0.09 1.61 1.02 -1.24 -5.00 119.74 113.85 1g99 s LYS 49 Ca 0.07 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 55.27 1g99 s LYS 49 Cb -0.03 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1g99 s LYS 49 CO 0.09 0.09 -0.23 0.21 -0.92 0.00 0.00 175.35 174.59 1g99 s LYS 50 N 0.55 2.93 -0.06 1.68 2.20 -1.26 -0.60 119.74 125.18 1g99 s LYS 50 Ca -0.14 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.64 1g99 s LYS 50 Cb -0.17 -2.30 -0.02 0.00 -1.51 0.00 0.00 37.83 33.83 1g99 s LYS 50 CO 0.04 0.25 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.97 1g99 s LEU 51 N 0.17 2.69 -0.02 5.43 2.96 0.02 -4.98 118.68 124.95 1g99 s LEU 51 Ca -0.13 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1g99 s LEU 51 Cb -0.16 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 44.99 1g99 s LEU 51 CO 0.07 0.32 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.78 1g99 s GLU 52 N -0.59 0.43 -0.03 1.98 2.02 -1.26 -0.68 118.70 120.57 1g99 s GLU 52 Ca 0.09 -0.07 -0.01 0.00 0.02 0.00 0.00 54.97 54.99 1g99 s GLU 52 Cb -0.11 -0.48 0.03 0.00 0.10 0.00 0.00 34.13 33.67 1g99 s GLU 52 CO 0.01 -0.01 0.03 0.21 0.02 0.00 0.00 175.26 175.52 1g99 s LYS 53 N 0.44 0.05 -0.35 1.61 2.20 -0.66 -5.01 119.74 118.04 1g99 s LYS 53 Ca -0.05 0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.62 1g99 s LYS 53 Cb -0.08 -0.44 -0.00 0.00 -1.51 0.00 0.00 37.83 35.80 1g99 s LYS 53 CO -0.01 -0.23 0.48 -0.51 -0.36 0.00 0.00 175.35 174.72 1g99 s LEU 54 N 1.53 4.37 0.11 5.43 2.01 -1.26 -2.16 118.68 128.71 1g99 s LEU 54 Ca -0.03 -0.08 -0.17 0.00 0.01 0.00 0.00 54.13 53.86 1g99 s LEU 54 Cb -0.13 -2.53 0.04 0.00 0.01 0.00 0.00 46.19 43.58 1g99 s LEU 54 CO -0.03 -0.45 0.42 0.28 1.01 0.00 0.00 176.35 177.57 1g99 s THR 55 N 2.31 0.06 -0.09 5.49 -1.32 -1.11 -5.03 115.64 115.95 1g99 s THR 55 Ca 0.17 -0.52 -0.30 0.00 -1.21 0.00 0.00 61.69 59.84 1g99 s THR 55 Cb -0.16 -1.12 -0.01 0.00 -1.51 0.00 0.00 72.50 69.70 1g99 s THR 55 CO 0.13 -0.29 1.01 -0.62 -2.21 0.00 0.00 174.62 172.64 1g99 s ASP 56 N -2.65 7.26 -0.56 8.08 2.15 -1.26 -3.53 116.67 126.16 1g99 s ASP 56 Ca 0.01 1.55 0.04 0.00 0.43 0.00 0.00 52.55 54.59 1g99 s ASP 56 Cb 0.01 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.22 1g99 s ASP 56 CO -0.10 -0.43 0.32 -0.76 -0.17 0.00 0.00 175.17 174.03 1g99 s LEU 57 N 1.89 4.28 0.14 -1.34 1.43 -1.26 -4.96 118.68 118.86 1g99 s LEU 57 Ca 0.49 -3.20 -0.17 0.00 -1.03 0.00 0.00 54.13 50.22 1g99 s LEU 57 Cb -0.19 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1g99 s LEU 57 CO 0.19 -0.20 1.76 -0.65 0.23 0.00 0.00 176.35 177.68 1g99 h PRO 58 N 6.22 0.52 -4.87 1.29 0.11 -1.93 0.49 132.00 133.83 1g99 h PRO 58 Ca -0.01 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.74 1g99 h PRO 58 Cb 0.86 -0.10 -0.15 0.00 0.11 0.00 0.00 31.00 31.72 1g99 h PRO 58 CO 0.68 0.41 -0.67 0.95 -0.21 0.00 0.00 178.00 179.15 1g99 s THR 59 N -5.92 0.81 0.60 -1.15 -4.23 -1.26 -2.82 115.64 101.67 1g99 s THR 59 Ca -0.13 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.69 1g99 s THR 59 Cb 0.10 -2.07 0.36 0.00 1.34 0.00 0.00 72.50 72.24 1g99 s THR 59 CO 0.73 -0.53 2.12 0.45 -0.54 0.00 0.00 174.62 176.85 1g99 h HIS 60 N 2.70 0.00 -0.23 3.99 3.86 -1.89 0.86 115.15 124.44 1g99 h HIS 60 Ca -0.37 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.71 1g99 h HIS 60 Cb 1.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.66 1g99 h HIS 60 CO 0.56 0.00 -0.40 -0.22 0.86 0.00 0.00 177.93 178.73 1g99 h LYS 61 N 0.00 0.54 -0.21 2.45 3.64 -1.91 -0.66 116.57 120.43 1g99 h LYS 61 Ca 0.07 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.05 1g99 h LYS 61 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1g99 h LYS 61 CO -0.00 0.85 -0.36 -0.44 -2.27 0.00 0.00 179.45 177.23 1g99 h ASP 62 N 0.45 0.68 -0.48 4.20 3.32 -1.25 -2.38 116.42 120.95 1g99 h ASP 62 Ca 0.04 -0.54 0.02 0.00 0.02 0.00 0.00 57.03 56.57 1g99 h ASP 62 Cb 0.89 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1g99 h ASP 62 CO 0.08 1.08 0.29 0.00 -1.72 0.00 0.00 179.24 178.97 1g99 h ALA 63 N 0.61 0.62 -0.11 3.45 0.00 -1.27 -1.47 119.26 121.09 1g99 h ALA 63 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1g99 h ALA 63 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1g99 h ALA 63 CO 0.08 -0.01 -0.22 1.25 0.00 0.00 0.00 179.25 180.36 1g99 h LEU 64 N 0.59 0.18 -0.55 0.00 5.85 -1.09 0.81 115.31 121.09 1g99 h LEU 64 Ca 0.19 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 1g99 h LEU 64 Cb 0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1g99 h LEU 64 CO -0.08 0.41 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.21 1g99 h GLU 65 N 0.17 1.02 -0.48 1.25 4.81 -0.85 -2.12 114.58 118.38 1g99 h GLU 65 Ca 0.03 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.73 1g99 h GLU 65 Cb 0.49 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1g99 h GLU 65 CO 0.03 1.08 -0.22 0.93 -0.73 0.00 0.00 179.01 180.10 1g99 h GLU 66 N 0.89 1.00 -0.70 1.92 4.39 -0.50 -2.43 114.58 119.15 1g99 h GLU 66 Ca 0.13 -0.43 0.09 0.00 0.34 0.00 0.00 59.36 59.49 1g99 h GLU 66 Cb 0.71 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.26 1g99 h GLU 66 CO 0.05 1.11 0.35 0.28 -1.16 0.00 0.00 179.01 179.64 1g99 h VAL 67 N 0.85 0.87 -0.50 3.13 2.07 -0.62 0.18 116.25 122.23 1g99 h VAL 67 Ca 0.11 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1g99 h VAL 67 Cb 0.80 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1g99 h VAL 67 CO 0.07 0.11 -0.01 0.58 0.02 0.00 0.00 177.57 178.34 1g99 h VAL 68 N 0.61 1.25 -0.54 2.57 2.07 -1.22 -0.59 116.25 120.40 1g99 h VAL 68 Ca 0.34 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 1g99 h VAL 68 Cb 0.34 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1g99 h VAL 68 CO -0.25 0.37 -0.12 0.11 0.02 0.00 0.00 177.57 177.70 1g99 h LYS 69 N 0.78 1.04 -0.23 1.57 1.57 -0.65 -2.27 116.57 118.37 1g99 h LYS 69 Ca 0.15 -0.39 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 1g99 h LYS 69 Cb 0.49 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1g99 h LYS 69 CO 0.02 1.08 -0.34 0.00 -0.57 0.00 0.00 179.45 179.65 1g99 h ALA 70 N 0.92 0.99 0.00 3.86 0.00 -0.43 -2.33 119.26 122.27 1g99 h ALA 70 Ca 0.14 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1g99 h ALA 70 Cb 0.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1g99 h ALA 70 CO 0.05 0.60 -0.40 -0.07 0.00 0.00 0.00 179.25 179.44 1g99 h LEU 71 N 0.42 0.00 -2.11 0.00 3.38 -0.94 -3.09 115.31 112.96 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 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1g99 h LEU 71 CO 0.06 0.40 0.00 0.35 0.09 0.00 0.00 178.44 179.34 1g99 n THR 72 N -3.67 0.37 -1.68 0.22 -2.24 -0.87 -0.47 114.28 105.94 1g99 n THR 72 Ca -0.01 -0.65 -0.44 0.00 -2.27 0.00 0.00 64.05 60.68 1g99 n THR 72 Cb 0.49 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.34 2.89 -0.27 3.42 -0.08 -0.89 -4.81 116.55 118.14 1g99 n ASP 73 Ca 0.18 1.16 0.08 0.00 -1.51 0.00 0.00 54.79 54.70 1g99 n ASP 73 Cb 0.58 -1.46 0.22 0.00 2.34 0.00 0.00 41.12 42.80 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 3.96 0.18 0.00 1.67 3.32 -1.92 -0.35 116.42 123.28 1g99 h ASP 74 Ca -0.45 0.14 -0.22 0.00 0.02 0.00 0.00 57.03 56.52 1g99 h ASP 74 Cb 1.27 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 1g99 h ASP 74 CO 0.74 0.01 -1.82 1.21 -1.72 0.00 0.00 179.24 177.65 1g99 n GLU 75 N -5.08 0.73 0.00 3.56 2.13 -1.26 -4.68 120.64 116.04 1g99 n GLU 75 Ca 0.17 0.07 0.12 0.00 0.66 0.00 0.00 57.16 58.18 1g99 n GLU 75 Cb 0.51 -1.29 0.20 0.00 0.27 0.00 0.00 31.44 31.13 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 -2.82 0.00 -2.23 4.31 3.01 -1.25 -4.95 117.46 113.53 1g99 n PHE 76 Ca -0.24 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.10 1g99 n PHE 76 Cb 0.80 -0.04 0.06 0.00 -0.01 0.00 0.00 39.48 40.29 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 1.36 0.33 0.00 1.37 0.00 -0.14 -4.69 105.19 103.42 1g99 n GLY 77 Ca 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.05 1.61 0.24 0.37 -4.86 118.33 109.41 1g99 n VAL 78 Ca 0.08 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.34 62.18 1g99 n VAL 78 Cb 0.28 1.48 -0.10 0.00 -1.47 0.00 0.00 33.84 34.03 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 -0.08 0.20 -0.02 1.34 -4.36 -0.93 -5.06 121.20 112.29 1g99 s ILE 79 Ca 0.00 -1.41 -0.21 0.00 -0.26 0.00 0.00 60.65 58.78 1g99 s ILE 79 Cb 0.00 -0.96 -0.28 0.00 1.25 0.00 0.00 42.46 42.47 1g99 s ILE 79 CO 0.00 -0.76 1.00 0.50 0.24 0.00 0.00 174.94 175.92 1g99 h LYS 80 N 3.82 0.37 -3.92 0.37 3.64 -1.87 -3.36 116.57 115.62 1g99 h LYS 80 Ca -0.33 -0.50 -0.10 0.00 -1.27 0.00 0.00 60.65 58.44 1g99 h LYS 80 Cb 1.17 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 33.03 1g99 h LYS 80 CO 0.54 1.19 -0.39 0.16 -2.27 0.00 0.00 179.45 178.69 1g99 s ASP 81 N -6.91 0.12 0.55 4.20 -4.77 -1.26 -4.89 116.67 103.71 1g99 s ASP 81 Ca -0.13 -0.81 0.35 0.00 -3.30 0.00 0.00 52.55 48.66 1g99 s ASP 81 Cb 0.02 0.37 1.53 0.00 -1.09 0.00 0.00 42.92 43.75 1g99 s ASP 81 CO 0.83 -0.80 1.81 -0.03 0.70 0.00 0.00 175.17 177.69 1g99 h MET 82 N 2.69 0.00 0.00 2.11 1.85 -1.93 0.10 114.93 119.75 1g99 h MET 82 Ca -0.33 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.76 1g99 h MET 82 Cb 1.21 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.24 1g99 h MET 82 CO 0.53 0.00 0.00 0.41 -0.40 0.00 0.00 176.91 177.45 1g99 n GLY 83 N -1.75 -0.81 0.03 1.39 0.00 -1.26 -1.67 105.19 101.12 1g99 n GLY 83 Ca 0.24 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.64 0.09 -2.73 1.61 1.02 0.35 -4.56 120.64 114.78 1g99 n GLU 84 Ca 0.02 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 1g99 n GLU 84 Cb 0.10 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 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 0.01 -3.67 1.01 -0.67 -4.44 121.20 114.67 1g99 s ILE 85 Ca 0.12 0.70 0.12 0.00 0.00 0.00 0.00 60.65 61.60 1g99 s ILE 85 Cb 0.17 -4.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 1g99 s ILE 85 CO 0.57 -1.10 1.43 0.78 0.00 0.00 0.00 174.94 176.62 1g99 h ASN 86 N 9.32 0.00 -4.98 3.58 -0.26 -1.52 -3.48 115.58 118.23 1g99 h ASN 86 Ca -0.25 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.51 1g99 h ASN 86 Cb 1.07 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.22 1g99 h ASN 86 CO 1.11 0.67 0.25 0.00 -1.06 0.00 0.00 177.43 178.40 1g99 s ALA 87 N -2.98 -1.53 0.01 -0.83 0.00 -1.20 -4.27 121.76 110.96 1g99 s ALA 87 Ca 0.02 0.32 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1g99 s ALA 87 Cb 0.09 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 1g99 s ALA 87 CO 0.77 -0.84 -0.19 0.08 0.00 0.00 0.00 175.76 175.58 1g99 s VAL 88 N -3.72 1.50 0.03 0.00 1.01 -0.51 -1.20 120.40 117.51 1g99 s VAL 88 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1g99 s VAL 88 Cb -0.02 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1g99 s VAL 88 CO -0.07 0.32 -0.14 -0.83 0.00 0.00 0.00 175.10 174.38 1g99 s GLY 89 N -0.70 0.75 0.01 4.51 0.00 0.07 -0.43 107.32 111.53 1g99 s GLY 89 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1g99 s GLY 89 CO 0.00 -0.73 -0.03 0.30 0.00 0.00 0.00 173.10 172.65 1g99 s HIS 90 N -0.74 0.23 -0.13 1.90 3.76 -0.29 -1.51 115.29 118.51 1g99 s HIS 90 Ca 0.02 -0.35 -0.04 0.00 -0.15 0.00 0.00 55.06 54.55 1g99 s HIS 90 Cb -0.07 -0.16 -0.03 0.00 1.11 0.00 0.00 32.58 33.42 1g99 s HIS 90 CO 0.01 -0.11 0.01 0.50 -0.85 0.00 0.00 174.74 174.30 1g99 s ARG 91 N -0.97 3.43 0.04 1.40 3.52 -1.26 0.42 118.95 125.53 1g99 s ARG 91 Ca -0.10 -0.40 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 1g99 s ARG 91 Cb -0.07 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 1g99 s ARG 91 CO -0.01 0.49 -0.21 0.08 -0.81 0.00 0.00 175.30 174.84 1g99 s VAL 92 N -0.27 1.70 -0.00 7.11 1.01 0.90 -4.90 120.40 125.95 1g99 s VAL 92 Ca 0.06 -1.22 -0.21 0.00 0.00 0.00 0.00 61.98 60.61 1g99 s VAL 92 Cb -0.12 -1.48 -0.12 0.00 0.00 0.00 0.00 36.38 34.66 1g99 s VAL 92 CO 0.02 0.21 0.92 0.58 0.00 0.00 0.00 175.10 176.83 1g99 h VAL 93 N 4.34 0.00 -3.68 2.92 2.07 -1.95 -1.96 116.25 117.98 1g99 h VAL 93 Ca -0.43 -0.38 -0.64 0.00 0.82 0.00 0.00 66.70 66.07 1g99 h VAL 93 Cb 1.16 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.75 1g99 h VAL 93 CO 0.44 0.00 -0.56 -2.28 0.02 0.00 0.00 177.57 175.19 1g99 s HIS 94 N -4.08 3.20 -0.14 1.57 2.46 -1.26 -1.98 115.29 115.05 1g99 s HIS 94 Ca -0.11 -0.04 0.02 0.00 0.47 0.00 0.00 55.06 55.40 1g99 s HIS 94 Cb 0.01 -2.27 0.06 0.00 -0.13 0.00 0.00 32.58 30.24 1g99 s HIS 94 CO 0.34 -0.14 1.04 0.41 -2.47 0.00 0.00 174.74 173.92 1g99 n GLY 95 N 4.67 3.03 7.00 1.59 0.00 -1.26 -4.81 105.19 115.42 1g99 n GLY 95 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.39 2.53 0.27 -0.02 0.00 -1.26 -1.13 105.19 105.19 1g99 n GLY 96 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1g99 n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g99 n GLU 97 N 14.00 1.53 0.12 1.61 1.02 -1.26 -4.34 120.64 133.32 1g99 n GLU 97 Ca 0.00 -0.57 -0.03 0.00 -0.02 0.00 0.00 57.16 56.54 1g99 n GLU 97 Cb 0.00 -1.31 0.10 0.00 -0.02 0.00 0.00 31.44 30.21 1g99 n GLU 97 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1g99 h LYS 98 N 1.31 0.02 -4.65 3.49 1.57 -1.90 -3.41 116.57 113.00 1g99 h LYS 98 Ca 0.00 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.09 1g99 h LYS 98 Cb 0.53 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.48 1g99 h LYS 98 CO 0.00 0.72 -0.66 -0.06 -0.57 0.00 0.00 179.45 178.87 1g99 s PHE 99 N -3.41 3.56 -1.94 -1.35 0.08 -0.28 -4.91 117.98 109.73 1g99 s PHE 99 Ca -0.01 -2.53 0.24 0.00 0.12 0.00 0.00 56.93 54.75 1g99 s PHE 99 Cb 0.12 -2.78 0.20 0.00 -0.57 0.00 0.00 43.02 39.99 1g99 s PHE 99 CO 0.78 -0.92 1.22 0.25 -0.10 0.00 0.00 175.22 176.44 1g99 n THR 100 N 4.46 0.00 -4.04 0.64 -2.24 -1.26 -4.45 114.28 107.38 1g99 n THR 100 Ca -0.03 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1g99 n THR 100 Cb 0.42 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 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 -2.50 0.00 0.79 4.28 -4.23 -1.26 -4.77 115.64 107.96 1g99 s THR 101 Ca 0.20 -1.52 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1g99 s THR 101 Cb 0.18 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.68 1g99 s THR 101 CO 0.56 0.00 1.12 -0.44 -0.54 0.00 0.00 174.62 175.33 1g99 s SER 102 N -3.11 4.10 0.07 3.99 0.01 -1.26 -4.84 113.70 112.66 1g99 s SER 102 Ca 0.27 2.01 0.05 0.00 1.31 0.00 0.00 55.95 59.58 1g99 s SER 102 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1g99 s SER 102 CO 0.13 -2.31 -0.13 0.00 0.41 0.00 0.00 173.24 171.35 1g99 s ALA 103 N -2.66 1.07 -0.04 1.44 0.00 -0.75 -4.97 121.76 115.85 1g99 s ALA 103 Ca 0.65 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 1g99 s ALA 103 Cb -0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 1g99 s ALA 103 CO 0.53 0.12 1.01 -1.17 0.00 0.00 0.00 175.76 176.25 1g99 s LEU 104 N -1.79 4.32 0.49 0.00 2.96 -1.26 -1.15 118.68 122.24 1g99 s LEU 104 Ca -0.02 1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 55.30 1g99 s LEU 104 Cb -0.09 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 42.97 1g99 s LEU 104 CO 0.02 -0.36 1.20 -0.47 -1.32 0.00 0.00 176.35 175.42 1g99 s TYR 105 N 1.45 2.73 -0.01 5.38 5.04 0.42 -4.87 117.35 127.50 1g99 s TYR 105 Ca 0.51 1.51 -0.29 0.00 -2.44 0.00 0.00 57.07 56.36 1g99 s TYR 105 Cb -0.21 -3.45 0.11 0.00 0.35 0.00 0.00 41.96 38.76 1g99 s TYR 105 CO 0.24 -1.80 1.28 0.16 -1.34 0.00 0.00 175.55 174.09 1g99 s ASP 106 N -1.32 -0.03 0.50 4.32 1.47 -1.26 -4.85 116.67 115.51 1g99 s ASP 106 Ca 0.66 -0.19 0.25 0.00 1.18 0.00 0.00 52.55 54.45 1g99 s ASP 106 Cb -0.30 0.17 1.33 0.00 -0.34 0.00 0.00 42.92 43.78 1g99 s ASP 106 CO 0.36 -0.33 1.94 -0.08 0.68 0.00 0.00 175.17 177.75 1g99 h GLU 107 N 2.00 0.11 0.20 2.11 4.81 -2.01 -2.51 114.58 119.28 1g99 h GLU 107 Ca -0.27 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1g99 h GLU 107 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1g99 h GLU 107 CO 0.30 0.07 -0.10 0.78 -0.73 0.00 0.00 179.01 179.34 1g99 h GLY 108 N 0.11 -0.28 1.44 1.92 0.00 -1.97 -3.14 103.07 101.15 1g99 h GLY 108 Ca 0.34 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.82 1g99 h GLY 108 CO -0.04 -0.10 0.28 -2.08 0.00 0.00 0.00 176.54 174.60 1g99 h VAL 109 N -0.51 1.01 -0.76 4.60 2.07 -1.79 -1.94 116.25 118.92 1g99 h VAL 109 Ca -0.03 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1g99 h VAL 109 Cb 0.38 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1g99 h VAL 109 CO 0.04 0.08 0.32 -0.08 0.02 0.00 0.00 177.57 177.95 1g99 h GLU 110 N 0.42 1.13 0.01 1.57 4.81 -1.47 -0.37 114.58 120.68 1g99 h GLU 110 Ca 0.18 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1g99 h GLU 110 Cb 0.18 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1g99 h GLU 110 CO -0.04 0.91 -0.00 0.87 -0.73 0.00 0.00 179.01 180.02 1g99 h LYS 111 N 1.10 -0.01 -1.01 1.92 1.57 -1.43 -2.64 116.57 116.08 1g99 h LYS 111 Ca 0.26 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.13 1g99 h LYS 111 Cb 0.19 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.43 1g99 h LYS 111 CO -0.02 0.51 0.64 0.00 -0.57 0.00 0.00 179.45 180.00 1g99 h ALA 112 N 0.45 1.47 -0.20 3.86 0.00 -1.26 0.44 119.26 124.02 1g99 h ALA 112 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g99 h ALA 112 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1g99 h ALA 112 CO 0.00 0.33 0.11 0.82 0.00 0.00 0.00 179.25 180.51 1g99 h ILE 113 N 1.08 1.11 -0.62 0.00 2.04 -1.07 -0.07 117.51 119.98 1g99 h ILE 113 Ca 0.47 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1g99 h ILE 113 Cb 0.34 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1g99 h ILE 113 CO -0.22 0.10 0.40 0.11 0.00 0.00 0.00 178.15 178.54 1g99 h LYS 114 N 0.22 0.82 0.18 2.37 1.57 -0.81 -2.61 116.57 118.30 1g99 h LYS 114 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1g99 h LYS 114 Cb 0.07 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1g99 h LYS 114 CO -0.01 0.55 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.90 1g99 h ASP 115 N 0.84 -0.20 -1.00 0.86 5.19 -0.75 -2.41 116.42 118.95 1g99 h ASP 115 Ca 0.23 -0.02 0.27 0.00 -0.62 0.00 0.00 57.03 56.89 1g99 h ASP 115 Cb -0.08 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.43 1g99 h ASP 115 CO -0.05 -0.11 0.70 0.00 -3.12 0.00 0.00 179.24 176.66 1g99 h PHE 117 N 0.15 0.14 0.00 0.00 3.57 -1.07 -2.79 116.94 116.93 1g99 h PHE 117 Ca 0.50 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1g99 h PHE 117 Cb 1.72 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.45 1g99 h PHE 117 CO -0.00 0.84 0.00 0.93 -2.23 0.00 0.00 178.31 177.85 1g99 h GLU 118 N -0.61 0.00 0.00 1.11 5.08 -0.83 -2.08 114.58 117.26 1g99 h GLU 118 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 1g99 h GLU 118 Cb 0.87 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1g99 h GLU 118 CO 0.02 0.00 -1.73 1.28 -1.00 0.00 0.00 179.01 177.58 1g99 n LEU 119 N -2.30 0.46 -4.88 1.33 4.77 -0.79 -4.92 117.00 110.66 1g99 n LEU 119 Ca 0.01 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 1g99 n LEU 119 Cb 0.17 0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1g99 n LEU 119 CO 0.17 0.15 0.54 0.00 -1.33 0.00 0.00 177.39 176.92 1g99 s ALA 120 N -3.02 3.28 -0.40 -1.18 0.00 -0.78 -4.98 121.76 114.67 1g99 s ALA 120 Ca -0.06 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.72 1g99 s ALA 120 Cb 0.09 -2.80 0.50 0.00 0.00 0.00 0.00 23.12 20.91 1g99 s ALA 120 CO 0.84 -0.32 1.46 -0.35 0.00 0.00 0.00 175.76 177.39 1g99 n PRO 121 N -2.03 2.75 -2.32 0.00 -0.04 -1.26 -4.93 135.00 127.17 1g99 n PRO 121 Ca 0.03 -2.04 -0.33 0.00 -0.04 0.00 0.00 63.50 61.12 1g99 n PRO 121 Cb 0.54 -1.90 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 1g99 n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g99 s LEU 122 N -2.00 3.64 0.00 1.53 1.43 -1.26 -5.05 118.68 116.97 1g99 s LEU 122 Ca 0.37 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1g99 s LEU 122 Cb 0.30 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.99 1g99 s LEU 122 CO 0.09 -0.82 0.14 0.00 0.23 0.00 0.00 176.35 175.99 1g99 n HIS 123 N -1.58 0.00 -2.24 0.29 1.44 -1.26 -4.84 115.22 107.04 1g99 n HIS 123 Ca 0.08 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.36 1g99 n HIS 123 Cb 0.53 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.62 1g99 n HIS 123 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1g99 s ASN 124 N -1.36 6.65 0.78 4.39 0.02 -1.26 -5.02 114.94 119.14 1g99 s ASN 124 Ca 0.00 1.68 -0.10 0.00 -1.02 0.00 0.00 52.86 53.42 1g99 s ASN 124 Cb 0.00 -2.54 0.06 0.00 0.02 0.00 0.00 41.25 38.80 1g99 s ASN 124 CO 0.00 -1.02 1.09 -2.16 0.02 0.00 0.00 177.10 175.04 1g99 s PRO 125 N 4.12 2.18 0.35 -0.60 0.04 -1.26 -4.94 135.00 134.89 1g99 s PRO 125 Ca 0.64 1.18 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 1g99 s PRO 125 Cb -0.24 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1g99 s PRO 125 CO 0.24 -1.70 1.27 -1.25 0.04 0.00 0.00 177.00 175.60 1g99 s PRO 126 N -4.89 4.25 -0.35 0.56 0.04 -1.26 -4.96 135.00 128.38 1g99 s PRO 126 Ca 0.61 2.12 -0.24 0.00 0.04 0.00 0.00 61.00 63.53 1g99 s PRO 126 Cb -0.17 -2.96 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1g99 s PRO 126 CO 0.56 -0.24 0.83 1.21 0.04 0.00 0.00 177.00 179.40 1g99 s ASN 127 N -0.66 6.62 0.00 6.66 3.84 -1.26 -4.92 114.94 125.22 1g99 s ASN 127 Ca 0.51 0.49 0.23 0.00 0.21 0.00 0.00 52.86 54.31 1g99 s ASN 127 Cb -0.38 -2.42 0.16 0.00 -0.55 0.00 0.00 41.25 38.06 1g99 s ASN 127 CO 0.49 -0.75 1.17 0.23 -2.79 0.00 0.00 177.10 175.46 1g99 n MET 128 N 6.48 0.44 -0.29 0.43 2.81 -1.26 -4.48 117.12 121.26 1g99 n MET 128 Ca 0.04 -0.33 0.16 0.00 -1.81 0.00 0.00 57.70 55.76 1g99 n MET 128 Cb 0.48 -1.49 0.43 0.00 -0.71 0.00 0.00 33.22 31.93 1g99 n MET 128 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1g99 h MET 129 N 0.81 0.55 -0.24 0.03 2.86 -1.94 -0.24 114.93 116.75 1g99 h MET 129 Ca 0.00 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1g99 h MET 129 Cb 0.57 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1g99 h MET 129 CO 0.00 0.36 -0.25 0.78 1.06 0.00 0.00 176.91 178.86 1g99 h GLY 130 N 0.56 0.65 0.97 8.32 0.00 -1.91 -2.56 103.07 109.10 1g99 h GLY 130 Ca 0.50 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1g99 h GLY 130 CO -0.25 0.60 0.23 -2.22 0.00 0.00 0.00 176.54 174.90 1g99 h ILE 131 N 0.30 1.16 0.11 2.60 2.04 -1.52 -2.69 117.51 119.51 1g99 h ILE 131 Ca 0.04 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1g99 h ILE 131 Cb 0.81 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1g99 h ILE 131 CO 0.06 0.17 -0.05 0.28 0.00 0.00 0.00 178.15 178.60 1g99 h SER 132 N 0.54 -0.13 -0.82 1.72 0.02 -1.11 -2.77 113.55 111.00 1g99 h SER 132 Ca 0.15 -0.03 0.13 0.00 -0.84 0.00 0.00 61.79 61.19 1g99 h SER 132 Cb 0.06 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 1g99 h SER 132 CO -0.02 -0.05 0.54 0.00 -1.14 0.00 0.00 176.83 176.15 1g99 h ALA 133 N 0.69 1.87 -0.82 3.77 0.00 -1.46 -1.54 119.26 121.77 1g99 h ALA 133 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1g99 h ALA 133 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1g99 h ALA 133 CO 0.03 -0.08 0.39 0.00 0.00 0.00 0.00 179.25 179.59 1g99 h ALA 135 N 1.21 1.26 0.01 0.00 0.00 -1.15 -0.90 119.26 119.69 1g99 h ALA 135 Ca 0.28 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1g99 h ALA 135 Cb 0.12 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1g99 h ALA 135 CO -0.03 0.51 -0.25 0.93 0.00 0.00 0.00 179.25 180.40 1g99 h GLU 136 N 0.69 0.16 -0.16 0.00 5.08 -1.38 -2.98 114.58 115.99 1g99 h GLU 136 Ca 0.15 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1g99 h GLU 136 Cb 0.31 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1g99 h GLU 136 CO 0.00 0.94 -0.01 0.82 -1.00 0.00 0.00 179.01 179.76 1g99 h ILE 137 N -0.54 1.27 -2.21 3.13 1.08 -1.36 -3.37 117.51 115.50 1g99 h ILE 137 Ca -0.03 -0.90 -0.59 0.00 -0.39 0.00 0.00 64.86 62.95 1g99 h ILE 137 Cb 1.03 1.54 -0.41 0.00 -3.07 0.00 0.00 36.82 35.91 1g99 h ILE 137 CO 0.05 0.27 -0.80 1.15 -0.69 0.00 0.00 178.15 178.12 1g99 n MET 138 N -4.72 1.65 -0.31 2.37 0.00 -0.35 -4.95 117.12 110.81 1g99 n MET 138 Ca -0.05 -4.03 0.17 0.00 0.00 0.00 0.00 57.70 53.79 1g99 n MET 138 Cb 0.23 -1.84 0.43 0.00 0.00 0.00 0.00 33.22 32.04 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 4.32 0.55 -0.01 3.17 0.11 -1.69 -1.95 132.00 136.50 1g99 h PRO 139 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1g99 h PRO 139 Cb 0.77 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1g99 h PRO 139 CO 0.66 0.36 -0.01 0.41 -0.21 0.00 0.00 178.00 179.21 1g99 n GLY 140 N -1.43 -0.18 3.71 -0.55 0.00 -1.26 -4.88 105.19 100.61 1g99 n GLY 140 Ca 0.22 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.02 5.24 0.24 2.61 2.01 -0.73 -5.04 115.64 117.95 1g99 s THR 141 Ca 0.39 0.71 -0.32 0.00 0.31 0.00 0.00 61.69 62.79 1g99 s THR 141 Cb 0.21 -3.71 -0.12 0.00 0.01 0.00 0.00 72.50 68.88 1g99 s THR 141 CO 0.35 0.34 1.61 -2.65 -0.69 0.00 0.00 174.62 173.58 1g99 n PRO 142 N 3.83 2.55 -5.21 4.92 -0.02 -1.26 -4.84 135.00 134.96 1g99 n PRO 142 Ca -0.09 0.91 -0.31 0.00 -2.02 0.00 0.00 63.50 61.99 1g99 n PRO 142 Cb 0.52 -2.70 -0.17 0.00 -0.02 0.00 0.00 33.50 31.13 1g99 n PRO 142 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1g99 s MET 143 N 0.32 2.62 -0.12 -0.52 1.75 -1.26 -1.42 119.30 120.66 1g99 s MET 143 Ca 0.71 -0.87 0.02 0.00 -1.25 0.00 0.00 55.69 54.30 1g99 s MET 143 Cb -0.55 -2.14 -0.01 0.00 2.84 0.00 0.00 34.83 34.97 1g99 s MET 143 CO 0.41 0.31 -0.19 0.08 -0.65 0.00 0.00 175.02 174.99 1g99 s VAL 144 N -0.00 2.52 -0.20 10.11 1.01 0.43 -0.43 120.40 133.83 1g99 s VAL 144 Ca -0.08 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1g99 s VAL 144 Cb -0.15 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1g99 s VAL 144 CO 0.05 0.54 0.19 -0.63 0.00 0.00 0.00 175.10 175.24 1g99 s ILE 145 N 0.44 5.36 -0.14 2.22 -1.09 -0.30 -1.14 121.20 126.55 1g99 s ILE 145 Ca -0.13 0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.56 1g99 s ILE 145 Cb -0.17 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 1g99 s ILE 145 CO 0.06 0.39 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.38 1g99 s VAL 146 N 0.62 3.38 -0.11 2.92 1.01 0.17 -1.81 120.40 126.58 1g99 s VAL 146 Ca 0.10 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 1g99 s VAL 146 Cb -0.12 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1g99 s VAL 146 CO 0.01 0.51 0.08 -0.36 0.00 0.00 0.00 175.10 175.35 1g99 s PHE 147 N 0.32 3.41 -0.71 5.22 0.40 -1.26 -0.07 117.98 125.29 1g99 s PHE 147 Ca -0.08 0.38 0.26 0.00 -0.60 0.00 0.00 56.93 56.89 1g99 s PHE 147 Cb -0.15 -1.88 0.82 0.00 0.51 0.00 0.00 43.02 42.32 1g99 s PHE 147 CO 0.05 0.61 1.77 -0.25 0.70 0.00 0.00 175.22 178.10 1g99 n ASP 148 N 2.09 0.81 0.07 1.36 8.00 -0.74 -2.79 116.55 125.35 1g99 n ASP 148 Ca -0.19 0.58 0.09 0.00 0.71 0.00 0.00 54.79 55.98 1g99 n ASP 148 Cb 0.54 -0.80 -0.05 0.00 -0.02 0.00 0.00 41.12 40.80 1g99 n ASP 148 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1g99 n THR 149 N -2.26 0.63 -0.15 -3.53 -2.24 -1.08 -0.82 114.28 104.82 1g99 n THR 149 Ca 0.05 -0.57 -0.03 0.00 -2.27 0.00 0.00 64.05 61.23 1g99 n THR 149 Cb 0.42 -0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1g99 n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g99 h ALA 150 N 1.87 0.33 -0.53 6.98 0.00 -1.73 -2.41 119.26 123.77 1g99 h ALA 150 Ca -0.04 0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.19 1g99 h ALA 150 Cb 1.14 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1g99 h ALA 150 CO 0.01 -0.44 0.38 0.35 0.00 0.00 0.00 179.25 179.55 1g99 h PHE 151 N 0.01 0.08 -0.01 0.00 3.57 -1.81 -2.00 116.94 116.78 1g99 h PHE 151 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1g99 h PHE 151 Cb 0.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1g99 h PHE 151 CO -0.40 0.03 -0.04 0.72 -2.23 0.00 0.00 178.31 176.39 1g99 n HIS 152 N -4.40 0.00 0.41 0.41 8.25 -0.91 -4.05 115.22 114.92 1g99 n HIS 152 Ca 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.60 1g99 n HIS 152 Cb 0.56 -0.04 0.22 0.00 1.12 0.00 0.00 29.99 31.85 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 -0.41 0.11 0.00 -0.41 1.13 -0.75 -1.44 117.38 115.60 1g99 n GLN 153 Ca 0.19 0.22 0.14 0.00 -1.94 0.00 0.00 57.00 55.62 1g99 n GLN 153 Cb 0.27 -1.50 0.62 0.00 0.11 0.00 0.00 30.24 29.74 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 -1.32 0.00 -1.90 5.09 -2.24 -1.26 -4.92 114.28 107.73 1g99 n THR 154 Ca 0.04 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 1g99 n THR 154 Cb 0.08 0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.08 4.07 0.66 -0.78 -1.94 -0.52 -4.81 119.30 113.90 1g99 s MET 155 Ca 0.38 2.41 -0.12 0.00 -1.71 0.00 0.00 55.69 56.66 1g99 s MET 155 Cb 0.21 -2.91 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 1g99 s MET 155 CO 0.37 -0.50 1.05 -1.25 -0.01 0.00 0.00 175.02 174.68 1g99 s PRO 156 N -2.11 3.15 0.38 2.03 0.04 -1.26 -4.82 135.00 132.41 1g99 s PRO 156 Ca 0.54 0.97 0.09 0.00 0.04 0.00 0.00 61.00 62.64 1g99 s PRO 156 Cb -0.43 -2.02 0.85 0.00 0.04 0.00 0.00 34.50 32.94 1g99 s PRO 156 CO 0.58 -0.93 1.94 -1.35 0.04 0.00 0.00 177.00 177.28 1g99 h PRO 157 N -0.38 0.61 0.00 0.56 0.11 -1.98 -0.69 132.00 130.23 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 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1g99 h PRO 157 CO 0.58 0.40 0.00 2.48 -0.21 0.00 0.00 178.00 181.25 1g99 n TYR 158 N -4.49 0.00 -0.12 0.65 0.18 -1.26 -1.81 117.16 110.30 1g99 n TYR 158 Ca 0.12 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.72 1g99 n TYR 158 Cb 0.34 -0.39 -0.11 0.00 -0.38 0.00 0.00 39.34 38.79 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 -1.39 1.46 0.66 -3.48 0.00 -0.32 -4.63 120.51 112.81 1g99 n ALA 159 Ca 0.06 -1.05 0.12 0.00 0.00 0.00 0.00 53.44 52.57 1g99 n ALA 159 Cb 0.17 -0.05 0.24 0.00 0.00 0.00 0.00 19.45 19.81 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 -3.29 0.51 -3.09 0.00 0.18 -0.88 -4.84 117.16 105.75 1g99 n TYR 160 Ca -0.44 0.15 -0.39 0.00 1.88 0.00 0.00 57.90 59.09 1g99 n TYR 160 Cb 0.96 -0.64 -0.06 0.00 -0.38 0.00 0.00 39.34 39.22 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 -3.12 4.44 0.31 -3.48 -1.94 -0.75 -0.10 119.30 114.65 1g99 s MET 161 Ca 0.08 1.01 -0.04 0.00 -1.71 0.00 0.00 55.69 55.03 1g99 s MET 161 Cb 0.14 -3.25 -0.05 0.00 2.01 0.00 0.00 34.83 33.68 1g99 s MET 161 CO 0.69 0.59 0.56 0.71 -0.01 0.00 0.00 175.02 177.56 1g99 s TYR 162 N -1.12 3.49 -1.48 -0.03 2.02 -1.26 -4.94 117.35 114.02 1g99 s TYR 162 Ca 0.33 0.60 -0.09 0.00 -0.37 0.00 0.00 57.07 57.54 1g99 s TYR 162 Cb -0.22 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.28 1g99 s TYR 162 CO 0.24 0.14 2.59 0.00 -1.57 0.00 0.00 175.55 176.95 1g99 n ALA 163 N -1.14 6.88 -2.59 3.71 0.00 -1.26 -4.85 120.51 121.26 1g99 n ALA 163 Ca -0.02 -3.82 -0.28 0.00 0.00 0.00 0.00 53.44 49.31 1g99 n ALA 163 Cb 0.54 -3.17 -0.08 0.00 0.00 0.00 0.00 19.45 16.74 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 -0.32 2.77 0.20 0.00 1.43 -1.26 -5.07 118.68 116.42 1g99 s LEU 164 Ca 0.59 -1.36 -0.33 0.00 -1.03 0.00 0.00 54.13 52.01 1g99 s LEU 164 Cb 0.17 -1.03 -0.13 0.00 0.03 0.00 0.00 46.19 45.23 1g99 s LEU 164 CO -0.07 -0.65 1.63 -2.65 0.23 0.00 0.00 176.35 174.84 1g99 n PRO 165 N -1.20 2.43 -0.23 1.29 -0.02 -1.26 -4.85 135.00 131.16 1g99 n PRO 165 Ca -0.08 0.88 0.16 0.00 -2.02 0.00 0.00 63.50 62.44 1g99 n PRO 165 Cb 0.66 -2.67 0.47 0.00 -0.02 0.00 0.00 33.50 31.94 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 6.05 0.62 0.00 6.00 3.20 -1.97 -2.29 116.97 128.58 1g99 h TYR 166 Ca -0.44 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 1g99 h TYR 166 Cb 1.23 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.31 1g99 h TYR 166 CO 0.62 0.20 -0.02 0.38 -1.64 0.00 0.00 178.16 177.70 1g99 h ASP 167 N 0.50 0.00 0.21 -2.11 2.03 -1.99 -0.84 116.42 114.21 1g99 h ASP 167 Ca 0.44 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.66 1g99 h ASP 167 Cb 0.95 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 1g99 h ASP 167 CO -0.18 0.02 -0.32 -0.07 -1.03 0.00 0.00 179.24 177.66 1g99 h LEU 168 N 0.00 0.18 -0.26 0.15 3.38 -1.78 0.61 115.31 117.60 1g99 h LEU 168 Ca -0.00 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1g99 h LEU 168 Cb 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1g99 h LEU 168 CO 0.00 0.50 -0.22 0.22 0.09 0.00 0.00 178.44 179.04 1g99 h TYR 169 N 0.16 0.71 -0.12 1.13 3.20 -1.30 -1.38 116.97 119.38 1g99 h TYR 169 Ca 0.02 -0.21 -0.24 0.00 3.14 0.00 0.00 58.73 61.45 1g99 h TYR 169 Cb 0.66 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.79 1g99 h TYR 169 CO 0.01 0.90 -0.85 1.49 -1.64 0.00 0.00 178.16 178.07 1g99 h GLU 170 N 0.32 0.78 0.22 1.82 4.81 -1.13 -1.11 114.58 120.29 1g99 h GLU 170 Ca 0.05 -0.69 -0.33 0.00 -0.13 0.00 0.00 59.36 58.26 1g99 h GLU 170 Cb 0.77 0.16 0.03 0.00 0.63 0.00 0.00 28.75 30.34 1g99 h GLU 170 CO 0.06 1.28 -1.47 -0.22 -0.73 0.00 0.00 179.01 177.93 1g99 h LYS 171 N 0.51 0.47 -0.06 1.92 3.64 0.14 -3.39 116.57 119.81 1g99 h LYS 171 Ca -0.07 -0.81 0.00 0.00 -1.27 0.00 0.00 60.65 58.50 1g99 h LYS 171 Cb 1.49 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1g99 h LYS 171 CO 0.17 1.38 0.00 0.72 -2.27 0.00 0.00 179.45 179.46 1g99 n HIS 172 N -3.66 0.08 -1.75 1.91 8.25 -0.53 -5.01 115.22 114.50 1g99 n HIS 172 Ca -0.16 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 56.91 1g99 n HIS 172 Cb 1.09 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 32.14 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 0.04 0.84 3.65 -1.41 0.00 -0.42 -4.95 105.19 102.95 1g99 n GLY 173 Ca 0.03 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.62 3.88 0.11 1.61 1.01 -1.19 -4.93 120.40 118.27 1g99 s VAL 174 Ca 0.00 1.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.75 1g99 s VAL 174 Cb 0.00 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.69 1g99 s VAL 174 CO 0.00 -0.22 1.07 0.00 0.00 0.00 0.00 175.10 175.95 1g99 s ARG 175 N 4.14 0.99 0.03 2.72 1.70 -1.26 -4.31 118.95 122.96 1g99 s ARG 175 Ca 0.66 -0.57 -0.28 0.00 -0.47 0.00 0.00 55.73 55.06 1g99 s ARG 175 Cb -0.25 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1g99 s ARG 175 CO 0.25 -0.46 0.91 0.21 -1.08 0.00 0.00 175.30 175.12 1g99 s LYS 176 N -2.84 4.57 -0.14 3.89 2.20 0.86 -3.46 119.74 124.82 1g99 s LYS 176 Ca 0.15 1.31 -0.09 0.00 -0.36 0.00 0.00 55.97 56.98 1g99 s LYS 176 Cb 0.00 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1g99 s LYS 176 CO 0.01 0.08 -0.21 0.66 -0.36 0.00 0.00 175.35 175.54 1g99 n TYR 177 N 3.44 0.00 0.00 4.03 4.01 -0.17 -4.86 117.16 123.61 1g99 n TYR 177 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1g99 n TYR 177 Cb 0.50 -0.51 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 2.07 -0.61 0.88 2.72 0.00 -0.96 -4.66 105.19 104.63 1g99 n GLY 178 Ca -0.26 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.03 -0.12 -1.58 1.61 3.72 -1.26 -4.15 117.46 115.65 1g99 n PHE 179 Ca 0.00 -0.74 -0.20 0.00 -0.05 0.00 0.00 57.45 56.46 1g99 n PHE 179 Cb 0.00 0.05 -0.09 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.20 -0.02 -0.26 1.38 8.25 -1.24 -4.86 115.22 118.27 1g99 n HIS 180 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 1g99 n HIS 180 Cb 0.16 -3.41 0.21 0.00 1.12 0.00 0.00 29.99 28.07 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 1.09 1.00 -1.41 0.00 -1.30 -0.29 103.07 102.17 1g99 h GLY 181 Ca -0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1g99 h GLY 181 CO 0.60 -0.26 0.33 -0.84 0.00 0.00 0.00 176.54 176.38 1g99 h THR 182 N 0.23 1.22 -0.11 4.70 2.02 -1.82 -0.05 112.91 119.11 1g99 h THR 182 Ca 0.45 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1g99 h THR 182 Cb 0.82 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1g99 h THR 182 CO -0.57 0.26 -0.02 -1.28 0.37 0.00 0.00 175.52 174.27 1g99 h SER 183 N 0.93 0.22 -0.67 4.18 0.87 -1.65 -2.39 113.55 115.05 1g99 h SER 183 Ca 0.23 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1g99 h SER 183 Cb 0.10 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1g99 h SER 183 CO -0.03 0.53 0.42 0.45 -0.53 0.00 0.00 176.83 177.67 1g99 h HIS 184 N -0.10 0.86 -0.39 2.24 3.86 -0.85 -1.83 115.15 118.94 1g99 h HIS 184 Ca 0.03 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1g99 h HIS 184 Cb 0.43 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 1g99 h HIS 184 CO 0.05 0.57 0.16 -0.22 0.86 0.00 0.00 177.93 179.35 1g99 h LYS 185 N 0.90 0.58 0.25 2.45 3.64 -1.04 -1.68 116.57 121.67 1g99 h LYS 185 Ca 0.24 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1g99 h LYS 185 Cb -0.06 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1g99 h LYS 185 CO -0.05 0.54 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.63 1g99 h TYR 186 N 0.49 -0.33 0.00 1.91 3.20 -1.03 -2.07 116.97 119.13 1g99 h TYR 186 Ca 0.13 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 1g99 h TYR 186 Cb 0.17 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1g99 h TYR 186 CO -0.00 -0.20 -0.34 -0.39 -1.64 0.00 0.00 178.16 175.58 1g99 h VAL 187 N -0.35 1.02 -0.61 1.81 -1.51 -1.35 -1.77 116.25 113.50 1g99 h VAL 187 Ca -0.03 -1.26 -0.06 0.00 -1.23 0.00 0.00 66.70 64.12 1g99 h VAL 187 Cb 0.27 1.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.13 1g99 h VAL 187 CO 0.05 0.33 0.15 0.00 -1.23 0.00 0.00 177.57 176.87 1g99 h ALA 188 N 1.66 1.12 -0.32 5.19 0.00 -1.10 0.13 119.26 125.94 1g99 h ALA 188 Ca -0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1g99 h ALA 188 Cb 0.70 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1g99 h ALA 188 CO 0.04 0.59 -0.09 0.93 0.00 0.00 0.00 179.25 180.73 1g99 h GLU 189 N 0.91 0.62 -0.67 0.00 5.08 -0.66 -2.23 114.58 117.63 1g99 h GLU 189 Ca 0.20 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1g99 h GLU 189 Cb 0.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1g99 h GLU 189 CO -0.00 0.81 0.10 0.00 -1.00 0.00 0.00 179.01 178.92 1g99 h ARG 190 N 0.39 1.11 -0.59 2.33 2.47 -1.09 -2.88 114.38 116.12 1g99 h ARG 190 Ca 0.08 -0.30 -0.04 0.00 -1.26 0.00 0.00 59.98 58.46 1g99 h ARG 190 Cb 0.58 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 1g99 h ARG 190 CO 0.03 1.02 0.21 0.00 0.56 0.00 0.00 179.97 181.79 1g99 h ALA 191 N 1.06 1.25 -0.65 0.04 0.00 -0.61 -1.79 119.26 118.57 1g99 h ALA 191 Ca 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1g99 h ALA 191 Cb 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1g99 h ALA 191 CO 0.01 0.54 0.24 0.00 0.00 0.00 0.00 179.25 180.04 1g99 h ALA 192 N 1.37 0.85 -0.55 0.00 0.00 -1.20 -1.17 119.26 118.56 1g99 h ALA 192 Ca 0.20 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1g99 h ALA 192 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1g99 h ALA 192 CO -0.01 0.49 0.34 -0.07 0.00 0.00 0.00 179.25 180.00 1g99 h LEU 193 N 0.93 0.65 -1.65 0.00 4.07 -1.26 -1.73 115.31 116.33 1g99 h LEU 193 Ca 0.21 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 1g99 h LEU 193 Cb 0.24 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.81 1g99 h LEU 193 CO -0.01 0.51 -0.14 0.24 -1.08 0.00 0.00 178.44 177.95 1g99 h MET 194 N 0.74 0.00 0.00 1.13 2.86 -0.93 -0.98 114.93 117.75 1g99 h MET 194 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1g99 h MET 194 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1g99 h MET 194 CO -0.04 0.14 -0.25 1.28 1.06 0.00 0.00 176.91 179.10 1g99 n LEU 195 N -3.47 0.70 -2.54 1.22 4.77 -0.48 -4.94 117.00 112.26 1g99 n LEU 195 Ca -0.01 0.42 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 1g99 n LEU 195 Cb 0.30 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1g99 n LEU 195 CO 0.30 -0.11 0.11 0.61 -1.33 0.00 0.00 177.39 176.97 1g99 n GLY 196 N 1.34 -0.15 3.08 -0.72 0.00 -0.37 -5.02 105.19 103.34 1g99 n GLY 196 Ca 0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.58 0.43 1.61 1.02 -1.08 -5.06 119.74 111.52 1g99 s LYS 197 Ca 0.34 -0.96 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 1g99 s LYS 197 Cb -0.15 -0.11 -0.08 0.00 -0.52 0.00 0.00 37.83 36.98 1g99 s LYS 197 CO 0.42 -0.01 1.23 -2.14 -0.92 0.00 0.00 175.35 173.93 1g99 s PRO 198 N -2.54 3.85 0.32 -1.68 0.02 -1.26 -4.46 135.00 129.25 1g99 s PRO 198 Ca -0.03 1.95 0.10 0.00 0.02 0.00 0.00 61.00 63.05 1g99 s PRO 198 Cb -0.03 -2.58 0.94 0.00 0.02 0.00 0.00 34.50 32.86 1g99 s PRO 198 CO -0.03 -0.53 1.67 0.00 -0.33 0.00 0.00 177.00 177.78 1g99 h ALA 199 N 2.36 1.73 -0.06 -1.55 0.00 -1.93 -1.14 119.26 118.67 1g99 h ALA 199 Ca -0.49 0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1g99 h ALA 199 Cb 1.25 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1g99 h ALA 199 CO 0.61 -0.49 0.18 0.93 0.00 0.00 0.00 179.25 180.48 1g99 h GLU 200 N 0.33 0.00 -0.41 0.00 3.07 -1.91 -0.97 114.58 114.69 1g99 h GLU 200 Ca 0.67 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.53 1g99 h GLU 200 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 1g99 h GLU 200 CO -0.60 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 177.40 1g99 n GLU 201 N -3.24 2.47 -4.15 2.33 1.02 -0.43 -4.35 120.64 114.29 1g99 n GLU 201 Ca -0.01 -2.22 -0.28 0.00 -0.02 0.00 0.00 57.16 54.62 1g99 n GLU 201 Cb 0.26 -1.51 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.47 3.96 -0.21 2.62 -4.23 -0.37 -4.96 115.64 110.98 1g99 s THR 202 Ca 0.39 -1.15 -0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1g99 s THR 202 Cb 0.23 -2.94 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1g99 s THR 202 CO 0.31 0.02 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.83 1g99 s LYS 203 N -2.61 1.46 0.01 3.99 1.02 -1.26 -0.11 119.74 122.24 1g99 s LYS 203 Ca 0.27 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.53 1g99 s LYS 203 Cb -0.11 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1g99 s LYS 203 CO 0.19 -0.56 -0.19 0.42 -0.92 0.00 0.00 175.35 174.29 1g99 s ILE 204 N 1.52 1.49 -0.23 2.17 1.01 0.06 0.27 121.20 127.50 1g99 s ILE 204 Ca -0.03 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 1g99 s ILE 204 Cb -0.18 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1g99 s ILE 204 CO -0.07 0.30 -0.00 -0.63 0.00 0.00 0.00 174.94 174.53 1g99 s ILE 205 N -0.60 3.72 -0.16 2.92 1.01 -0.21 0.03 121.20 127.91 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 -0.08 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1g99 s ILE 205 CO 0.00 0.40 -0.01 0.42 0.00 0.00 0.00 174.94 175.75 1g99 s THR 206 N 1.46 4.13 -0.33 2.92 -4.23 -0.08 0.04 115.64 119.56 1g99 s THR 206 Ca 0.05 -0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 1g99 s THR 206 Cb -0.15 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 70.95 1g99 s THR 206 CO -0.01 0.49 0.03 0.00 -0.54 0.00 0.00 174.62 174.60 1g99 s HIS 208 N 1.10 3.07 -0.44 0.00 2.46 -0.18 -1.30 115.29 120.00 1g99 s HIS 208 Ca 0.01 -1.08 -0.10 0.00 0.47 0.00 0.00 55.06 54.36 1g99 s HIS 208 Cb -0.20 -4.02 0.09 0.00 -0.13 0.00 0.00 32.58 28.32 1g99 s HIS 208 CO -0.05 -1.29 0.30 -0.51 -2.47 0.00 0.00 174.74 170.73 1g99 s LEU 209 N 2.48 5.38 0.00 8.88 1.43 -0.75 -1.49 118.68 134.61 1g99 s LEU 209 Ca 0.14 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 1g99 s LEU 209 Cb -0.22 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1g99 s LEU 209 CO 0.04 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.63 1g99 n GLY 210 N 4.95 5.38 0.33 -3.19 0.00 -1.26 -0.90 105.19 110.50 1g99 n GLY 210 Ca -0.10 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 0.64 -3.18 1.61 -1.24 -1.95 -3.38 115.58 108.09 1g99 h ASN 211 Ca 0.00 -0.02 -0.67 0.00 0.71 0.00 0.00 56.30 56.33 1g99 h ASN 211 Cb 0.00 -0.16 -0.12 0.00 0.73 0.00 0.00 38.32 38.77 1g99 h ASN 211 CO 0.00 0.46 -0.59 -0.83 -1.29 0.00 0.00 177.43 175.18 1g99 s GLY 212 N -3.55 1.95 -0.01 1.57 0.00 -1.26 -2.23 107.32 103.79 1g99 s GLY 212 Ca -0.09 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 43.81 1g99 s GLY 212 CO 0.75 -0.65 -0.08 -0.56 0.00 0.00 0.00 173.10 172.56 1g99 s SER 213 N -1.32 0.95 -0.01 1.64 0.01 -1.26 -4.59 113.70 109.12 1g99 s SER 213 Ca 0.18 -0.15 -0.19 0.00 1.31 0.00 0.00 55.95 57.10 1g99 s SER 213 Cb -0.12 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.01 1g99 s SER 213 CO 0.08 0.09 0.41 -0.94 0.41 0.00 0.00 173.24 173.29 1g99 s SER 214 N -0.11 -0.31 0.05 2.44 1.04 -0.56 -4.57 113.70 111.69 1g99 s SER 214 Ca 0.02 0.22 0.09 0.00 0.48 0.00 0.00 55.95 56.76 1g99 s SER 214 Cb -0.04 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1g99 s SER 214 CO -0.00 -0.52 -0.26 -0.63 0.98 0.00 0.00 173.24 172.81 1g99 s ILE 215 N -1.48 2.10 0.02 -1.02 -1.09 -1.26 -1.01 121.20 117.45 1g99 s ILE 215 Ca -0.12 -1.40 0.03 0.00 -2.23 0.00 0.00 60.65 56.93 1g99 s ILE 215 Cb -0.03 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 39.03 1g99 s ILE 215 CO 0.05 0.32 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.10 1g99 s THR 216 N -0.83 0.71 -0.36 2.92 2.01 -0.06 -0.51 115.64 119.52 1g99 s THR 216 Ca 0.11 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.28 1g99 s THR 216 Cb -0.10 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.76 1g99 s THR 216 CO 0.02 -0.04 0.22 0.00 -0.69 0.00 0.00 174.62 174.14 1g99 s ALA 217 N -0.70 3.37 -0.31 7.40 0.00 -0.30 -0.90 121.76 130.33 1g99 s ALA 217 Ca -0.01 -1.58 -0.07 0.00 0.00 0.00 0.00 51.96 50.30 1g99 s ALA 217 Cb -0.06 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1g99 s ALA 217 CO 0.00 -1.21 0.10 0.08 0.00 0.00 0.00 175.76 174.72 1g99 s VAL 218 N 1.63 4.02 -0.30 0.00 1.01 0.11 -1.22 120.40 125.64 1g99 s VAL 218 Ca 0.04 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1g99 s VAL 218 Cb -0.18 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1g99 s VAL 218 CO 0.08 0.02 0.09 -0.70 0.00 0.00 0.00 175.10 174.59 1g99 s GLU 219 N 1.50 3.01 -1.49 2.72 2.12 -0.24 -0.76 118.70 125.57 1g99 s GLU 219 Ca 0.02 -0.91 -0.05 0.00 0.36 0.00 0.00 54.97 54.39 1g99 s GLU 219 Cb -0.18 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1g99 s GLU 219 CO 0.03 -0.48 0.44 0.41 -0.54 0.00 0.00 175.26 175.12 1g99 n GLY 220 N 4.86 -0.51 1.13 -1.50 0.00 0.85 -2.14 105.19 107.88 1g99 n GLY 220 Ca -0.14 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.32 1.07 3.50 -0.02 0.00 -1.24 -4.14 105.19 103.04 1g99 n GLY 221 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1g99 n GLY 221 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g99 s LYS 222 N -0.62 2.30 0.12 1.61 -2.85 -0.91 -5.08 119.74 114.31 1g99 s LYS 222 Ca 0.00 -0.85 -0.31 0.00 -1.00 0.00 0.00 55.97 53.82 1g99 s LYS 222 Cb 0.00 -2.31 -0.07 0.00 -2.06 0.00 0.00 37.83 33.38 1g99 s LYS 222 CO 0.00 0.58 1.30 0.45 0.10 0.00 0.00 175.35 177.78 1g99 s SER 223 N -1.26 6.93 -0.00 0.03 0.15 -1.26 -1.07 113.70 117.22 1g99 s SER 223 Ca 0.15 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.05 1g99 s SER 223 Cb -0.11 -2.59 -0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1g99 s SER 223 CO 0.05 -0.55 0.01 0.52 1.20 0.00 0.00 173.24 174.46 1g99 n VAL 224 N 3.54 0.00 -3.60 4.45 0.31 -0.36 -3.39 118.33 119.27 1g99 n VAL 224 Ca 0.09 -0.37 -0.07 0.00 -0.01 0.00 0.00 64.34 63.98 1g99 n VAL 224 Cb 0.44 0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 34.18 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 -1.28 0.40 0.10 5.55 2.56 -1.24 -4.38 118.70 120.41 1g99 s GLU 225 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 54.97 54.94 1g99 s GLU 225 Cb 0.00 0.19 0.03 0.00 2.00 0.00 0.00 34.13 36.35 1g99 s GLU 225 CO 0.01 -0.12 0.38 -0.08 -0.56 0.00 0.00 175.26 174.89 1g99 s THR 226 N -0.95 0.07 0.08 -1.70 -1.32 -1.26 -1.14 115.64 109.42 1g99 s THR 226 Ca 0.02 -0.60 -0.09 0.00 -1.21 0.00 0.00 61.69 59.81 1g99 s THR 226 Cb -0.01 -1.13 -0.26 0.00 -1.51 0.00 0.00 72.50 69.59 1g99 s THR 226 CO -0.02 -0.33 1.16 0.77 -2.21 0.00 0.00 174.62 173.99 1g99 h SER 227 N 2.56 0.64 -4.33 8.08 4.64 -1.15 -3.46 113.55 120.54 1g99 h SER 227 Ca -0.33 -0.60 -0.50 0.00 -0.47 0.00 0.00 61.79 59.88 1g99 h SER 227 Cb 1.24 -0.20 0.10 0.00 -0.31 0.00 0.00 62.40 63.22 1g99 h SER 227 CO 0.47 1.43 0.36 -0.04 -0.87 0.00 0.00 176.83 178.19 1g99 s MET 228 N -2.93 2.71 0.00 4.77 -1.94 -1.23 -3.32 119.30 117.35 1g99 s MET 228 Ca -0.07 0.82 0.00 0.00 -1.71 0.00 0.00 55.69 54.74 1g99 s MET 228 Cb 0.07 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.93 1g99 s MET 228 CO 0.90 -1.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.09 1g99 n GLY 229 N -2.11 2.72 0.36 -0.03 0.00 -1.26 -3.91 105.19 100.96 1g99 n GLY 229 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 1.19 -2.90 1.61 3.57 -1.89 -0.31 116.94 118.21 1g99 h PHE 230 Ca 0.00 0.03 -0.47 0.00 3.53 0.00 0.00 57.97 61.06 1g99 h PHE 230 Cb 0.00 -0.40 -0.14 0.00 2.79 0.00 0.00 35.95 38.20 1g99 h PHE 230 CO 0.00 0.71 -0.60 0.95 -2.23 0.00 0.00 178.31 177.14 1g99 s THR 231 N -6.10 1.07 -2.00 4.41 -4.23 -1.26 -4.71 115.64 102.82 1g99 s THR 231 Ca -0.13 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.46 1g99 s THR 231 Cb 0.18 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 71.51 1g99 s THR 231 CO 0.81 0.00 0.93 -2.65 -0.54 0.00 0.00 174.62 173.17 1g99 n PRO 232 N -0.69 0.51 0.06 3.99 -0.02 -1.26 -3.44 135.00 134.15 1g99 n PRO 232 Ca -0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.42 1g99 n PRO 232 Cb 0.66 -1.24 -0.07 0.00 -0.02 0.00 0.00 33.50 32.84 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 0.00-10.04 2.45 5.85 -1.95 -3.47 115.31 108.15 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 0.07 0.00 0.37 0.00 0.00 40.66 41.10 1g99 h LEU 233 CO 0.00 0.77 0.47 -0.70 -0.34 0.00 0.00 178.44 178.64 1g99 s GLU 234 N -2.81 3.53 0.00 1.25 2.12 -1.22 -3.10 118.70 118.47 1g99 s GLU 234 Ca 0.00 1.73 0.00 0.00 0.36 0.00 0.00 54.97 57.06 1g99 s GLU 234 Cb 0.09 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.26 1g99 s GLU 234 CO 0.80 -0.73 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1g99 n GLY 235 N 0.34 0.73 3.81 -1.50 0.00 -1.21 -3.51 105.19 103.85 1g99 n GLY 235 Ca 0.09 -1.15 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 3.03 0.23 0.99 1.43 -1.26 -1.77 118.68 121.33 1g99 s LEU 236 Ca 0.00 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 1g99 s LEU 236 Cb 0.00 -4.40 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 1g99 s LEU 236 CO 0.00 -1.59 0.94 0.00 0.23 0.00 0.00 176.35 175.93 1g99 s ALA 237 N -3.05 3.33 0.00 4.21 0.00 -1.26 -3.47 121.76 121.53 1g99 s ALA 237 Ca 0.59 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1g99 s ALA 237 Cb -0.14 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1g99 s ALA 237 CO 0.55 0.19 0.00 -1.33 0.00 0.00 0.00 175.76 175.17 1g99 n MET 238 N 1.58 2.80 0.08 0.00 0.00 -0.07 -4.88 117.12 116.63 1g99 n MET 238 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.56 1g99 n MET 238 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.64 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 -0.24 0.00 3.03 0.00 -1.71 0.77 103.07 104.92 1g99 h GLY 239 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1g99 h GLY 239 CO 0.00 -0.15 0.00 -1.30 0.00 0.00 0.00 176.54 175.09 1g99 n THR 240 N -5.27 0.21 -4.26 4.70 -2.24 -1.26 -1.85 114.28 104.31 1g99 n THR 240 Ca -0.06 -0.42 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 1g99 n THR 240 Cb 0.19 1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.21 2.97 0.31 -0.78 0.52 -1.25 -1.10 118.95 119.41 1g99 s ARG 241 Ca 0.00 -0.46 0.16 0.00 -0.52 0.00 0.00 55.73 54.91 1g99 s ARG 241 Cb 0.00 -2.80 0.22 0.00 0.52 0.00 0.00 34.95 32.89 1g99 s ARG 241 CO 0.00 0.68 1.52 0.00 0.02 0.00 0.00 175.30 177.51 1g99 n GLY 243 N 1.01 -1.38 3.56 0.00 0.00 -1.18 -4.37 105.19 102.84 1g99 n GLY 243 Ca 0.02 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 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 5.63 0.52 1.61 0.01 -0.73 -4.67 113.70 112.07 1g99 s SER 244 Ca 0.00 0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.59 1g99 s SER 244 Cb 0.00 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1g99 s SER 244 CO 0.00 -2.11 0.36 0.27 0.41 0.00 0.00 173.24 172.17 1g99 s ILE 245 N 7.78 1.77 -0.07 1.44 -4.36 -1.26 -4.94 121.20 121.56 1g99 s ILE 245 Ca 0.60 -1.53 -0.30 0.00 -0.26 0.00 0.00 60.65 59.17 1g99 s ILE 245 Cb -0.12 -2.30 -0.06 0.00 1.25 0.00 0.00 42.46 41.23 1g99 s ILE 245 CO 0.22 0.00 1.73 -0.62 0.24 0.00 0.00 174.94 176.50 1g99 s ASP 246 N -4.21 6.52 0.61 4.36 -1.08 -1.26 -4.84 116.67 116.77 1g99 s ASP 246 Ca 0.34 2.20 0.31 0.00 -0.52 0.00 0.00 52.55 54.88 1g99 s ASP 246 Cb -0.01 -2.53 1.74 0.00 -1.46 0.00 0.00 42.92 40.65 1g99 s ASP 246 CO 0.21 -1.05 2.09 -0.65 0.52 0.00 0.00 175.17 176.28 1g99 h PRO 247 N 10.18 0.00 0.00 4.34 0.11 -2.00 -0.84 132.00 143.79 1g99 h PRO 247 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 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 0.96 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1g99 h ALA 248 N 1.70 1.00 0.00 -0.75 0.00 -2.03 -2.25 119.26 116.93 1g99 h ALA 248 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1g99 h ALA 248 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1g99 h ALA 248 CO -0.00 0.00 -0.12 0.82 0.00 0.00 0.00 179.25 179.95 1g99 h ILE 249 N 0.00 0.71 0.64 0.00 2.04 -1.53 -2.79 117.51 116.58 1g99 h ILE 249 Ca 0.00 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1g99 h ILE 249 Cb 0.37 1.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1g99 h ILE 249 CO 0.00 0.12 -0.31 0.58 0.00 0.00 0.00 178.15 178.54 1g99 h VAL 250 N 0.00 0.00 -0.15 1.67 2.07 -1.59 -1.25 116.25 117.00 1g99 h VAL 250 Ca -0.00 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1g99 h VAL 250 Cb 0.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1g99 h VAL 250 CO 0.02 0.00 -0.14 1.55 0.02 0.00 0.00 177.57 179.02 1g99 h PRO 251 N -1.09 0.24 -0.24 1.57 0.13 -1.74 -1.41 132.00 129.46 1g99 h PRO 251 Ca -0.09 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1g99 h PRO 251 Cb 0.65 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.70 1g99 h PRO 251 CO 0.14 0.39 -0.11 0.35 -0.23 0.00 0.00 178.00 178.54 1g99 h PHE 252 N 0.23 -0.26 -0.58 1.56 3.57 -1.46 -0.74 116.94 119.26 1g99 h PHE 252 Ca 0.05 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1g99 h PHE 252 Cb 0.39 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1g99 h PHE 252 CO 0.01 -0.17 0.07 -0.07 -2.23 0.00 0.00 178.31 175.92 1g99 h LEU 253 N -0.08 0.91 -1.16 0.59 4.07 -0.92 -0.87 115.31 117.85 1g99 h LEU 253 Ca 0.13 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1g99 h LEU 253 Cb 0.27 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 1g99 h LEU 253 CO -0.29 0.93 0.17 0.24 -1.08 0.00 0.00 178.44 178.41 1g99 h MET 254 N 0.89 0.76 0.12 1.13 2.86 -0.57 0.62 114.93 120.75 1g99 h MET 254 Ca 0.18 -0.13 -0.29 0.00 -2.06 0.00 0.00 59.70 57.40 1g99 h MET 254 Cb 0.43 -0.13 0.02 0.00 0.06 0.00 0.00 31.60 31.98 1g99 h MET 254 CO 0.01 0.65 -1.23 0.93 1.06 0.00 0.00 176.91 178.33 1g99 h GLU 255 N 0.75 0.55 -0.11 1.72 5.08 -0.81 -1.40 114.58 120.36 1g99 h GLU 255 Ca 0.17 -0.75 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 1g99 h GLU 255 Cb 0.20 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1g99 h GLU 255 CO -0.01 1.34 -0.14 0.87 -1.00 0.00 0.00 179.01 180.06 1g99 h LYS 256 N 0.24 0.29 -0.30 2.33 6.56 -0.92 -3.24 116.57 121.52 1g99 h LYS 256 Ca -0.18 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1g99 h LYS 256 Cb 1.91 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.58 1g99 h LYS 256 CO 0.23 0.73 0.00 0.39 -2.06 0.00 0.00 179.45 178.74 1g99 n GLU 257 N -4.59 2.17 -3.58 3.15 -0.58 0.19 -4.97 120.64 112.43 1g99 n GLU 257 Ca -0.07 -1.76 -0.22 0.00 -0.42 0.00 0.00 57.16 54.68 1g99 n GLU 257 Cb 0.37 -1.46 0.05 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.34 -0.65 3.80 0.62 0.00 -0.70 -4.98 105.19 104.61 1g99 n GLY 258 Ca 0.18 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 -6.33 3.95 0.55 0.99 1.43 -0.61 -5.04 118.68 113.62 1g99 s LEU 259 Ca 0.21 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1g99 s LEU 259 Cb -0.05 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1g99 s LEU 259 CO 0.80 0.25 0.89 0.42 0.23 0.00 0.00 176.35 178.94 1g99 s THR 260 N -1.27 4.53 0.31 5.49 -4.23 -1.26 -4.80 115.64 114.41 1g99 s THR 260 Ca 0.25 0.34 0.05 0.00 -1.18 0.00 0.00 61.69 61.16 1g99 s THR 260 Cb -0.12 -3.76 0.30 0.00 1.34 0.00 0.00 72.50 70.26 1g99 s THR 260 CO 0.17 -0.84 1.82 0.71 -0.54 0.00 0.00 174.62 175.94 1g99 h THR 261 N -0.04 0.81 -0.32 3.99 1.35 -1.99 -0.69 112.91 116.01 1g99 h THR 261 Ca -0.46 -0.29 -0.11 0.00 -0.55 0.00 0.00 66.41 65.00 1g99 h THR 261 Cb 1.21 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 1g99 h THR 261 CO 0.62 0.15 -0.26 0.03 -0.25 0.00 0.00 175.52 175.81 1g99 h ARG 262 N 0.84 0.65 -0.40 4.72 -0.00 -1.99 -2.11 114.38 116.07 1g99 h ARG 262 Ca 0.52 -0.27 -0.11 0.00 -0.50 0.00 0.00 59.98 59.62 1g99 h ARG 262 Cb 0.71 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.65 1g99 h ARG 262 CO -0.30 0.85 -0.20 0.93 0.00 0.00 0.00 179.97 181.25 1g99 h GLU 263 N 0.56 0.85 -0.13 0.04 5.08 -1.54 -1.89 114.58 117.55 1g99 h GLU 263 Ca 0.08 -0.37 -0.10 0.00 -1.00 0.00 0.00 59.36 57.96 1g99 h GLU 263 Cb 0.74 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1g99 h GLU 263 CO 0.06 1.01 -0.37 0.97 -1.00 0.00 0.00 179.01 179.68 1g99 h ILE 264 N 0.66 1.29 -0.54 3.13 6.09 -1.18 0.30 117.51 127.26 1g99 h ILE 264 Ca 0.09 -1.42 -0.10 0.00 -1.37 0.00 0.00 64.86 62.05 1g99 h ILE 264 Cb 0.75 1.60 -0.02 0.00 0.47 0.00 0.00 36.82 39.63 1g99 h ILE 264 CO 0.06 0.43 -0.06 -0.78 -3.07 0.00 0.00 178.15 174.73 1g99 h ASP 265 N 0.24 0.99 -0.44 2.19 1.82 -1.25 -1.43 116.42 118.53 1g99 h ASP 265 Ca 0.03 -0.33 -0.11 0.00 -0.39 0.00 0.00 57.03 56.22 1g99 h ASP 265 Cb 0.76 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1g99 h ASP 265 CO 0.06 1.09 -0.16 0.74 -1.61 0.00 0.00 179.24 179.35 1g99 h THR 266 N 0.87 1.27 -0.22 2.25 2.02 -0.98 -1.18 112.91 116.94 1g99 h THR 266 Ca 0.15 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 66.04 1g99 h THR 266 Cb 0.62 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1g99 h THR 266 CO 0.04 0.44 0.10 0.25 0.37 0.00 0.00 175.52 176.73 1g99 h LEU 267 N 0.73 0.15 -0.99 2.58 6.46 -0.73 0.15 115.31 123.65 1g99 h LEU 267 Ca 0.10 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.78 1g99 h LEU 267 Cb 0.72 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 1g99 h LEU 267 CO 0.06 0.12 -0.38 0.24 -0.62 0.00 0.00 178.44 177.85 1g99 h MET 268 N 0.22 0.24 0.00 1.25 2.86 -1.16 -2.37 114.93 115.98 1g99 h MET 268 Ca 0.09 -0.11 -0.16 0.00 -2.06 0.00 0.00 59.70 57.46 1g99 h MET 268 Cb 0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1g99 h MET 268 CO -0.07 0.59 -1.73 0.09 1.06 0.00 0.00 176.91 176.85 1g99 n ASN 269 N -4.05 0.48 0.00 1.22 3.02 -0.46 -2.50 115.26 112.97 1g99 n ASN 269 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1g99 n ASN 269 Cb 0.46 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.41 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 -2.70 0.81 -0.14 3.52 5.02 0.50 -3.94 118.16 121.23 1g99 n LYS 270 Ca -0.13 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.20 1g99 n LYS 270 Cb 0.83 -0.93 0.12 0.00 -0.02 0.00 0.00 35.03 35.02 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 2.89 0.00 1.97 5.02 -0.91 -4.82 118.16 120.94 1g99 n LYS 271 Ca 0.00 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1g99 n LYS 271 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.18 0.00 0.00 4.39 7.64 -0.26 -3.48 113.62 122.10 1g99 n SER 272 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1g99 n SER 272 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.65 0.26 0.23 0.00 -1.12 -1.21 105.19 109.00 1g99 n GLY 273 Ca 0.00 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.45 0.07 1.61 -1.51 -0.66 -2.44 116.25 113.77 1g99 h VAL 274 Ca 0.00 -0.65 -0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1g99 h VAL 274 Cb 0.00 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1g99 h VAL 274 CO 0.00 0.12 -0.03 0.25 -1.23 0.00 0.00 177.57 176.68 1g99 h LEU 275 N 0.00 -0.08 -1.28 4.19 5.85 -1.28 -0.65 115.31 122.06 1g99 h LEU 275 Ca -0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1g99 h LEU 275 Cb 0.44 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1g99 h LEU 275 CO 0.02 0.18 0.29 1.23 -0.34 0.00 0.00 178.44 179.82 1g99 h GLY 276 N -0.34 0.85 0.41 3.75 0.00 -0.77 0.33 103.07 107.29 1g99 h GLY 276 Ca -0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1g99 h GLY 276 CO 0.02 0.36 -0.31 -2.08 0.00 0.00 0.00 176.54 174.53 1g99 h VAL 277 N 0.80 1.59 -0.00 4.60 2.07 -1.43 -3.35 116.25 120.53 1g99 h VAL 277 Ca 0.20 -2.14 -0.13 0.00 0.82 0.00 0.00 66.70 65.45 1g99 h VAL 277 Cb 0.05 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1g99 h VAL 277 CO -0.03 0.58 -0.61 0.77 0.02 0.00 0.00 177.57 178.30 1g99 h SER 278 N -0.57 0.01 0.00 0.57 4.64 -1.05 -3.46 113.55 113.69 1g99 h SER 278 Ca -0.05 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1g99 h SER 278 Cb 1.13 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1g99 h SER 278 CO 0.06 0.62 0.00 0.61 -0.87 0.00 0.00 176.83 177.25 1g99 n GLY 279 N 0.22 0.42 0.66 -0.77 0.00 0.10 -4.58 105.19 101.25 1g99 n GLY 279 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 1.30 -3.77 0.99 7.94 -1.25 -5.07 117.00 117.14 1g99 n LEU 280 Ca 0.00 0.19 -0.09 0.00 -1.11 0.00 0.00 56.01 55.01 1g99 n LEU 280 Cb 0.11 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 43.56 1g99 n LEU 280 CO 0.00 -0.56 0.37 -0.55 -1.11 0.00 0.00 177.39 175.54 1g99 s SER 281 N -5.82 -0.29 0.00 1.96 0.15 -1.26 -5.00 113.70 103.43 1g99 s SER 281 Ca -0.10 -0.51 0.16 0.00 0.70 0.00 0.00 55.95 56.19 1g99 s SER 281 Cb 0.01 0.65 0.42 0.00 -1.71 0.00 0.00 66.02 65.40 1g99 s SER 281 CO 0.15 -1.18 1.34 -0.46 1.20 0.00 0.00 173.24 174.30 1g99 n ASN 282 N -0.40 3.28 -4.53 5.45 6.94 -1.26 -3.23 115.26 121.50 1g99 n ASN 282 Ca -0.07 -1.98 -0.40 0.00 -0.02 0.00 0.00 54.58 52.11 1g99 n ASN 282 Cb 0.61 -0.31 -0.11 0.00 -2.36 0.00 0.00 39.78 37.61 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 -1.03 6.01 0.55 0.53 -1.08 -1.26 -4.70 116.67 115.69 1g99 s ASP 283 Ca 0.33 -0.38 0.24 0.00 -0.52 0.00 0.00 52.55 52.22 1g99 s ASP 283 Cb 0.17 -2.12 1.55 0.00 -1.46 0.00 0.00 42.92 41.06 1g99 s ASP 283 CO 0.23 -0.21 2.18 -0.26 0.52 0.00 0.00 175.17 177.63 1g99 h PHE 284 N 8.46 0.00 0.05 -5.34 -1.00 -1.99 -1.78 116.94 115.34 1g99 h PHE 284 Ca -0.32 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.46 1g99 h PHE 284 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1g99 h PHE 284 CO 0.67 0.03 -0.02 0.00 -1.61 0.00 0.00 178.31 177.38 1g99 h ARG 285 N 0.00 -0.06 -0.76 1.51 3.08 -1.99 -1.35 114.38 114.80 1g99 h ARG 285 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1g99 h ARG 285 Cb 0.06 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1g99 h ARG 285 CO 0.00 0.27 0.46 -0.44 -1.07 0.00 0.00 179.97 179.19 1g99 h ASP 286 N -0.40 0.72 -0.58 7.04 3.32 -1.83 -2.20 116.42 122.49 1g99 h ASP 286 Ca -0.01 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1g99 h ASP 286 Cb 0.36 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1g99 h ASP 286 CO 0.01 0.47 0.04 -0.07 -1.72 0.00 0.00 179.24 177.97 1g99 h LEU 287 N 0.86 0.97 -0.37 1.55 3.38 -1.27 -0.84 115.31 119.60 1g99 h LEU 287 Ca 0.33 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1g99 h LEU 287 Cb 0.13 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1g99 h LEU 287 CO -0.16 1.02 0.19 -0.78 0.09 0.00 0.00 178.44 178.81 1g99 h ASP 288 N 0.89 0.30 0.01 -0.43 3.58 -0.83 0.49 116.42 120.43 1g99 h ASP 288 Ca 0.17 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1g99 h ASP 288 Cb 0.50 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1g99 h ASP 288 CO 0.02 0.22 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.27 1g99 h GLU 289 N 0.40 -0.01 -0.98 0.28 5.08 -1.28 -2.29 114.58 115.78 1g99 h GLU 289 Ca 0.15 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 1g99 h GLU 289 Cb 0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.22 1g99 h GLU 289 CO -0.09 0.21 0.62 0.00 -1.00 0.00 0.00 179.01 178.75 1g99 h ALA 290 N 0.76 1.42 -0.48 3.43 0.00 -0.74 -0.84 119.26 122.81 1g99 h ALA 290 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1g99 h ALA 290 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1g99 h ALA 290 CO 0.00 0.30 0.18 0.00 0.00 0.00 0.00 179.25 179.73 1g99 h ALA 291 N 1.49 0.63 -0.72 0.00 0.00 0.13 0.66 119.26 121.46 1g99 h ALA 291 Ca 0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1g99 h ALA 291 Cb 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1g99 h ALA 291 CO -0.22 0.25 0.31 0.77 0.00 0.00 0.00 179.25 180.36 1g99 h SER 292 N 0.64 0.97 0.00 0.00 0.02 -0.69 -1.38 113.55 113.11 1g99 h SER 292 Ca 0.16 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1g99 h SER 292 Cb 0.22 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1g99 h SER 292 CO -0.01 0.86 0.00 0.29 -1.14 0.00 0.00 176.83 176.83 1g99 n LYS 293 N -4.38 0.52 -0.71 3.45 4.76 -0.42 -4.80 118.16 116.58 1g99 n LYS 293 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1g99 n LYS 293 Cb 0.16 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 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 0.06 0.62 3.59 0.72 0.00 -0.52 -5.03 105.19 104.62 1g99 n GLY 294 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.24 6.35 0.17 1.61 3.84 0.20 -4.92 114.94 119.96 1g99 s ASN 295 Ca 0.00 0.35 -0.14 0.00 0.21 0.00 0.00 52.86 53.28 1g99 s ASN 295 Cb 0.00 -2.55 0.13 0.00 -0.55 0.00 0.00 41.25 38.28 1g99 s ASN 295 CO 0.00 -1.51 1.76 0.03 -2.79 0.00 0.00 177.10 174.58 1g99 h ARG 296 N 10.21 0.35 -0.87 0.43 3.08 -1.89 -1.72 114.38 123.96 1g99 h ARG 296 Ca -0.26 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 1g99 h ARG 296 Cb 1.08 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1g99 h ARG 296 CO 1.16 0.23 0.48 0.87 -1.07 0.00 0.00 179.97 181.64 1g99 h LYS 297 N 0.36 1.21 -0.52 0.04 1.79 -1.89 0.12 116.57 117.67 1g99 h LYS 297 Ca 0.21 -0.14 -0.10 0.00 -2.18 0.00 0.00 60.65 58.45 1g99 h LYS 297 Cb 0.19 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1g99 h LYS 297 CO -0.20 0.88 -0.06 0.00 -1.08 0.00 0.00 179.45 178.99 1g99 h ALA 298 N 1.31 0.91 -0.60 3.86 0.00 -1.69 -1.18 119.26 121.87 1g99 h ALA 298 Ca 0.31 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1g99 h ALA 298 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1g99 h ALA 298 CO -0.05 0.64 0.04 1.49 0.00 0.00 0.00 179.25 181.36 1g99 h GLU 299 N 0.84 1.03 -0.50 0.00 4.57 -0.77 -1.87 114.58 117.89 1g99 h GLU 299 Ca 0.15 -0.31 -0.11 0.00 -1.18 0.00 0.00 59.36 57.91 1g99 h GLU 299 Cb 0.58 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1g99 h GLU 299 CO 0.04 1.00 -0.10 1.25 -1.18 0.00 0.00 179.01 180.01 1g99 h LEU 300 N 0.93 0.96 -0.78 1.64 5.85 -0.77 -1.38 115.31 121.76 1g99 h LEU 300 Ca 0.17 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1g99 h LEU 300 Cb 0.51 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1g99 h LEU 300 CO 0.02 1.09 0.28 0.00 -0.34 0.00 0.00 178.44 179.49 1g99 h ALA 301 N 0.90 1.02 -0.01 1.25 0.00 -0.94 -0.82 119.26 120.67 1g99 h ALA 301 Ca 0.13 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1g99 h ALA 301 Cb 0.66 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1g99 h ALA 301 CO 0.05 0.67 -0.63 -0.07 0.00 0.00 0.00 179.25 179.27 1g99 h LEU 302 N 1.15 0.02 -0.33 0.00 3.38 -1.22 -1.58 115.31 116.73 1g99 h LEU 302 Ca 0.25 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 1g99 h LEU 302 Cb 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1g99 h LEU 302 CO -0.01 0.65 -0.19 -0.33 0.09 0.00 0.00 178.44 178.64 1g99 h GLU 303 N 0.01 0.71 -0.34 1.13 5.08 -0.61 -1.08 114.58 119.48 1g99 h GLU 303 Ca -0.01 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1g99 h GLU 303 Cb 1.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1g99 h GLU 303 CO 0.08 0.93 0.13 0.82 -1.00 0.00 0.00 179.01 179.97 1g99 h ILE 304 N 0.47 1.19 -0.01 3.13 2.04 -1.11 -0.08 117.51 123.15 1g99 h ILE 304 Ca 0.07 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1g99 h ILE 304 Cb 0.73 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1g99 h ILE 304 CO 0.05 0.21 0.00 0.15 0.00 0.00 0.00 178.15 178.56 1g99 h PHE 305 N 0.40 0.01 -0.44 1.37 3.57 -1.19 -1.94 116.94 118.72 1g99 h PHE 305 Ca 0.11 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 1g99 h PHE 305 Cb 0.20 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1g99 h PHE 305 CO -0.00 0.02 -0.13 0.00 -2.23 0.00 0.00 178.31 175.97 1g99 h ALA 306 N 0.99 0.94 -0.75 2.41 0.00 -1.13 -2.75 119.26 118.97 1g99 h ALA 306 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1g99 h ALA 306 Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1g99 h ALA 306 CO -0.00 0.62 0.41 -0.92 0.00 0.00 0.00 179.25 179.36 1g99 h TYR 307 N 0.73 1.02 -0.25 0.00 3.20 -0.86 -1.14 116.97 119.68 1g99 h TYR 307 Ca 0.12 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1g99 h TYR 307 Cb 0.63 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1g99 h TYR 307 CO 0.03 0.72 -0.24 0.87 -1.64 0.00 0.00 178.16 177.90 1g99 h LYS 308 N 1.03 0.48 -0.46 1.82 1.57 -1.19 -1.23 116.57 118.59 1g99 h LYS 308 Ca 0.26 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1g99 h LYS 308 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1g99 h LYS 308 CO -0.04 0.69 -0.22 0.28 -0.57 0.00 0.00 179.45 179.59 1g99 h VAL 309 N 0.43 1.27 -0.61 0.50 2.07 -1.15 -2.30 116.25 116.46 1g99 h VAL 309 Ca 0.06 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1g99 h VAL 309 Cb 0.66 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1g99 h VAL 309 CO 0.05 0.47 0.32 0.50 0.02 0.00 0.00 177.57 178.93 1g99 h LYS 310 N 0.80 0.57 -0.72 1.57 3.64 -0.83 -2.16 116.57 119.44 1g99 h LYS 310 Ca 0.10 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1g99 h LYS 310 Cb 0.79 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1g99 h LYS 310 CO 0.07 0.38 0.25 0.87 -2.27 0.00 0.00 179.45 178.74 1g99 h LYS 311 N 0.59 1.10 -0.11 1.90 1.57 -0.99 -2.27 116.57 118.36 1g99 h LYS 311 Ca 0.28 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1g99 h LYS 311 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1g99 h LYS 311 CO -0.19 0.92 -0.19 0.74 -0.57 0.00 0.00 179.45 180.16 1g99 h PHE 312 N 1.06 0.18 -0.62 -1.35 0.04 -0.84 0.32 116.94 115.73 1g99 h PHE 312 Ca 0.24 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.91 1g99 h PHE 312 Cb 0.26 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1g99 h PHE 312 CO 0.02 0.36 0.08 0.82 -0.60 0.00 0.00 178.31 178.99 1g99 h ILE 313 N 0.16 1.26 -0.18 -0.55 2.04 -0.85 0.28 117.51 119.67 1g99 h ILE 313 Ca 0.03 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 1g99 h ILE 313 Cb 0.43 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1g99 h ILE 313 CO 0.03 0.38 0.00 1.23 0.00 0.00 0.00 178.15 179.79 1g99 h GLY 314 N 1.03 0.35 0.58 5.37 0.00 -0.92 -1.91 103.07 107.57 1g99 h GLY 314 Ca 0.19 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1g99 h GLY 314 CO 0.01 0.23 -0.03 -2.09 0.00 0.00 0.00 176.54 174.66 1g99 h GLU 315 N 0.08 0.03 0.00 4.80 4.81 -0.61 -1.81 114.58 121.88 1g99 h GLU 315 Ca 0.05 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1g99 h GLU 315 Cb 0.38 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1g99 h GLU 315 CO 0.01 0.02 0.00 0.66 -0.73 0.00 0.00 179.01 178.97 1g99 n TYR 316 N -5.19 0.90 0.02 0.92 4.02 0.06 -2.07 117.16 115.83 1g99 n TYR 316 Ca -0.02 0.30 -0.07 0.00 -0.01 0.00 0.00 57.90 58.10 1g99 n TYR 316 Cb 0.13 -0.99 0.10 0.00 -0.02 0.00 0.00 39.34 38.56 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 0.53 -0.12 7.72 0.02 -0.49 -0.86 113.55 120.35 1g99 h SER 317 Ca 0.00 -0.26 -0.20 0.00 -0.84 0.00 0.00 61.79 60.48 1g99 h SER 317 Cb 0.58 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1g99 h SER 317 CO 0.00 0.94 -0.72 0.00 -1.14 0.00 0.00 176.83 175.91 1g99 h ALA 318 N 1.08 0.25 -0.25 3.77 0.00 -1.08 0.36 119.26 123.39 1g99 h ALA 318 Ca 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1g99 h ALA 318 Cb 1.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1g99 h ALA 318 CO 0.09 0.58 0.09 0.28 0.00 0.00 0.00 179.25 180.29 1g99 h VAL 319 N 0.38 0.94 -0.00 0.00 2.07 -1.27 -2.52 116.25 115.84 1g99 h VAL 319 Ca -0.06 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1g99 h VAL 319 Cb 1.36 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1g99 h VAL 319 CO 0.15 0.04 -0.06 0.18 0.02 0.00 0.00 177.57 177.89 1g99 n LEU 320 N -5.03 0.18 -3.44 2.57 4.77 -0.34 -4.95 117.00 110.77 1g99 n LEU 320 Ca -0.02 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 1g99 n LEU 320 Cb 0.09 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1g99 n LEU 320 CO 0.29 0.04 0.11 -3.20 -1.33 0.00 0.00 177.39 173.30 1g99 n ASN 321 N -1.20 -2.06 -0.12 -1.43 5.15 -0.57 -4.71 115.26 110.33 1g99 n ASN 321 Ca 0.13 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.49 1g99 n ASN 321 Cb 0.27 -5.10 0.00 0.00 -0.53 0.00 0.00 39.78 34.41 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 -1.15 0.02 3.91 8.20 0.00 0.01 -5.04 105.19 111.15 1g99 n GLY 322 Ca -0.29 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.04 3.90 -0.01 4.61 0.00 -1.26 -4.91 121.76 124.04 1g99 s ALA 323 Ca 0.00 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.00 1g99 s ALA 323 Cb 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 23.12 21.17 1g99 s ALA 323 CO 0.00 0.57 0.77 -0.44 0.00 0.00 0.00 175.76 176.66 1g99 h ASP 324 N 2.32 0.09 -5.03 0.00 3.32 -0.54 -3.44 116.42 113.13 1g99 h ASP 324 Ca -0.48 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.37 1g99 h ASP 324 Cb 1.19 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.57 1g99 h ASP 324 CO 0.69 1.14 0.07 0.00 -1.72 0.00 0.00 179.24 179.41 1g99 s ALA 325 N -2.62 -1.33 -0.06 3.45 0.00 -1.14 -1.63 121.76 118.43 1g99 s ALA 325 Ca -0.06 0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.39 1g99 s ALA 325 Cb 0.08 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1g99 s ALA 325 CO 0.82 -0.61 -0.24 0.08 0.00 0.00 0.00 175.76 175.81 1g99 s VAL 326 N -3.12 2.15 -0.05 0.00 1.01 0.04 -1.04 120.40 119.39 1g99 s VAL 326 Ca -0.02 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.00 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 -0.07 0.57 -0.24 -0.69 0.00 0.00 0.00 175.10 174.67 1g99 s VAL 327 N -0.13 2.20 -0.11 2.92 1.01 0.11 -0.63 120.40 125.77 1g99 s VAL 327 Ca -0.05 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1g99 s VAL 327 Cb -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1g99 s VAL 327 CO 0.04 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.22 1g99 s PHE 328 N -0.34 2.77 0.35 5.22 0.08 -0.41 0.13 117.98 125.80 1g99 s PHE 328 Ca 0.02 -0.53 -0.06 0.00 0.12 0.00 0.00 56.93 56.48 1g99 s PHE 328 Cb -0.12 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1g99 s PHE 328 CO 0.02 -0.11 0.55 -0.08 -0.10 0.00 0.00 175.22 175.50 1g99 s THR 329 N 0.07 0.00 0.13 0.64 -1.32 -0.42 -1.41 115.64 113.33 1g99 s THR 329 Ca -0.05 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 1g99 s THR 329 Cb -0.15 -2.69 0.00 0.00 -1.51 0.00 0.00 72.50 68.16 1g99 s THR 329 CO 0.04 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.45 1g99 n ALA 330 N -0.56 -1.19 -0.33 11.08 0.00 -1.26 -1.80 120.51 126.45 1g99 n ALA 330 Ca -0.01 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.52 1g99 n ALA 330 Cb 0.61 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.56 -2.06 0.11 0.00 0.00 -1.19 0.05 105.19 99.53 1g99 n GLY 331 Ca -0.00 0.94 -0.15 0.00 0.00 0.00 0.00 46.02 46.81 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 1.49 -0.82 -0.61 2.04 -1.28 -2.88 117.51 115.45 1g99 h ILE 332 Ca 0.13 -1.86 0.03 0.00 1.00 0.00 0.00 64.86 64.16 1g99 h ILE 332 Cb 0.32 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.95 1g99 h ILE 332 CO -0.74 0.52 0.54 1.23 0.00 0.00 0.00 178.15 179.69 1g99 h GLY 333 N -0.35 1.16 1.63 5.37 0.00 -1.12 -0.90 103.07 108.86 1g99 h GLY 333 Ca -0.03 -0.40 -0.25 0.00 0.00 0.00 0.00 47.33 46.64 1g99 h GLY 333 CO 0.06 0.35 -1.25 0.83 0.00 0.00 0.00 176.54 176.53 1g99 h GLU 334 N 1.02 0.11 0.00 4.80 5.08 -0.50 -3.40 114.58 121.70 1g99 h GLU 334 Ca 0.32 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1g99 h GLU 334 Cb 0.02 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1g99 h GLU 334 CO -0.09 1.01 -1.76 0.09 -1.00 0.00 0.00 179.01 177.26 1g99 n ASN 335 N -3.37 1.53 -4.35 1.42 3.02 -1.09 -4.37 115.26 108.05 1g99 n ASN 335 Ca -0.07 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.02 1g99 n ASN 335 Cb 0.99 1.50 -0.04 0.00 -0.61 0.00 0.00 39.78 41.62 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 -3.98 6.29 0.23 6.41 0.15 -0.36 -4.87 113.70 117.57 1g99 s SER 336 Ca -0.06 -1.78 -0.06 0.00 0.70 0.00 0.00 55.95 54.75 1g99 s SER 336 Cb 0.08 -2.26 0.24 0.00 -1.71 0.00 0.00 66.02 62.37 1g99 s SER 336 CO 0.62 -0.94 1.79 0.00 1.20 0.00 0.00 173.24 175.92 1g99 h ALA 337 N 8.86 1.10 -0.34 5.45 0.00 -1.87 -1.75 119.26 130.70 1g99 h ALA 337 Ca -0.22 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1g99 h ALA 337 Cb 1.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1g99 h ALA 337 CO 1.03 0.63 -0.42 0.66 0.00 0.00 0.00 179.25 181.15 1g99 h SER 338 N 1.05 0.92 -0.12 0.00 4.64 -1.90 -1.24 113.55 116.90 1g99 h SER 338 Ca 0.24 -0.44 -0.14 0.00 -0.47 0.00 0.00 61.79 60.98 1g99 h SER 338 Cb 0.25 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1g99 h SER 338 CO -0.01 1.22 -0.40 0.40 -0.87 0.00 0.00 176.83 177.16 1g99 h ILE 339 N 0.69 1.29 -0.56 0.95 2.04 -1.91 -1.32 117.51 118.70 1g99 h ILE 339 Ca 0.05 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.32 1g99 h ILE 339 Cb 1.00 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 1g99 h ILE 339 CO 0.10 0.50 0.27 0.03 0.00 0.00 0.00 178.15 179.05 1g99 h ARG 340 N 0.53 0.79 -0.18 2.37 3.08 -1.11 -1.40 114.38 118.46 1g99 h ARG 340 Ca 0.05 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1g99 h ARG 340 Cb 0.92 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1g99 h ARG 340 CO 0.08 0.61 0.04 -0.22 -1.07 0.00 0.00 179.97 179.42 1g99 h LYS 341 N 0.79 0.29 -0.95 0.04 3.11 -0.83 0.02 116.57 119.05 1g99 h LYS 341 Ca 0.20 -0.07 0.04 0.00 -2.81 0.00 0.00 60.65 58.01 1g99 h LYS 341 Cb 0.08 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 31.22 1g99 h LYS 341 CO -0.03 0.43 0.61 0.00 -2.81 0.00 0.00 179.45 177.66 1g99 h ARG 342 N 0.10 1.13 -0.25 1.90 3.08 -0.77 -2.28 114.38 117.29 1g99 h ARG 342 Ca 0.06 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1g99 h ARG 342 Cb 0.27 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1g99 h ARG 342 CO 0.00 0.75 -0.35 0.82 -1.07 0.00 0.00 179.97 180.11 1g99 h ILE 343 N 1.16 1.31 -0.09 2.04 2.04 -1.00 -3.32 117.51 119.66 1g99 h ILE 343 Ca 0.39 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1g99 h ILE 343 Cb 0.05 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1g99 h ILE 343 CO -0.14 0.49 0.00 0.18 0.00 0.00 0.00 178.15 178.68 1g99 n LEU 344 N -4.23 1.56 -4.75 1.44 4.77 -0.03 -4.60 117.00 111.16 1g99 n LEU 344 Ca -0.05 -0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 54.95 1g99 n LEU 344 Cb 0.51 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1g99 n LEU 344 CO 0.46 0.29 0.66 -0.89 -1.33 0.00 0.00 177.39 176.58 1g99 s THR 345 N -1.90 4.14 -0.12 -5.08 2.01 -0.88 -3.96 115.64 109.86 1g99 s THR 345 Ca 0.35 2.07 -0.00 0.00 0.31 0.00 0.00 61.69 64.42 1g99 s THR 345 Cb 0.19 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1g99 s THR 345 CO 0.30 0.46 0.04 0.61 -0.69 0.00 0.00 174.62 175.34 1g99 n GLY 346 N 1.64 0.54 0.00 4.40 0.00 -1.26 -4.96 105.19 105.56 1g99 n GLY 346 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.49 1.21 0.22 0.99 4.77 -1.25 -4.70 117.00 117.75 1g99 n LEU 347 Ca -0.01 -1.21 0.09 0.00 -0.03 0.00 0.00 56.01 54.85 1g99 n LEU 347 Cb 0.51 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.22 1g99 n LEU 347 CO 0.03 0.30 1.09 -2.24 -1.33 0.00 0.00 177.39 175.24 1g99 h ASP 348 N 0.00 0.04 -0.05 -1.43 2.03 -1.67 0.42 116.42 115.76 1g99 h ASP 348 Ca 0.00 -0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.31 1g99 h ASP 348 Cb 0.62 -0.01 -0.00 0.00 -0.83 0.00 0.00 39.33 39.11 1g99 h ASP 348 CO 0.00 0.03 0.15 1.23 -1.03 0.00 0.00 179.24 179.62 1g99 h GLY 349 N 0.05 0.00 -1.05 7.15 0.00 -1.84 -0.22 103.07 107.16 1g99 h GLY 349 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1g99 h GLY 349 CO -0.00 0.00 -0.20 0.29 0.00 0.00 0.00 176.54 176.62 1g99 n ILE 350 N -3.25 2.22 -0.71 2.60 -5.35 0.09 -4.96 119.36 109.99 1g99 n ILE 350 Ca -0.01 -2.70 0.00 0.00 -0.27 0.00 0.00 62.75 59.77 1g99 n ILE 350 Cb 0.23 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 -1.13 0.63 3.37 3.28 0.00 -0.09 -4.81 105.19 106.43 1g99 n GLY 351 Ca 0.22 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.62 -0.12 -0.61 1.01 -0.89 -1.38 121.20 120.82 1g99 s ILE 352 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1g99 s ILE 352 Cb 0.00 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.88 1g99 s ILE 352 CO 0.00 0.42 0.27 -0.75 0.00 0.00 0.00 174.94 174.88 1g99 s LYS 353 N 1.27 0.22 0.31 2.79 2.20 -1.26 -1.82 119.74 123.45 1g99 s LYS 353 Ca 0.03 0.60 0.09 0.00 -0.36 0.00 0.00 55.97 56.34 1g99 s LYS 353 Cb -0.14 -0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.04 1g99 s LYS 353 CO -0.00 -0.18 0.05 0.96 -0.36 0.00 0.00 175.35 175.81 1g99 s ILE 354 N 1.48 3.09 -0.38 5.43 -4.36 -1.26 -1.79 121.20 123.42 1g99 s ILE 354 Ca -0.08 -1.86 -0.14 0.00 -0.26 0.00 0.00 60.65 58.31 1g99 s ILE 354 Cb -0.10 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.74 1g99 s ILE 354 CO -0.09 -0.27 0.28 -0.62 0.24 0.00 0.00 174.94 174.48 1g99 s ASP 355 N -3.74 6.09 0.44 4.36 -1.08 0.54 -4.64 116.67 118.64 1g99 s ASP 355 Ca 0.34 -0.64 0.16 0.00 -0.52 0.00 0.00 52.55 51.89 1g99 s ASP 355 Cb -0.04 -2.15 1.08 0.00 -1.46 0.00 0.00 42.92 40.35 1g99 s ASP 355 CO 0.21 -0.35 1.94 0.44 0.52 0.00 0.00 175.17 177.93 1g99 h ASP 356 N 8.56 0.35 -0.06 -0.34 3.32 -1.98 -0.69 116.42 125.57 1g99 h ASP 356 Ca -0.29 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.60 1g99 h ASP 356 Cb 1.14 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.65 1g99 h ASP 356 CO 0.69 0.19 -0.67 -0.33 -1.72 0.00 0.00 179.24 177.40 1g99 h GLU 357 N 0.37 0.55 -0.09 3.56 4.39 -1.96 -3.18 114.58 118.22 1g99 h GLU 357 Ca 0.33 -0.52 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 1g99 h GLU 357 Cb 0.78 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1g99 h GLU 357 CO -0.09 1.15 -0.21 0.87 -1.16 0.00 0.00 179.01 179.56 1g99 h LYS 358 N 0.15 0.16 0.00 2.33 1.57 -1.67 -2.13 116.57 116.97 1g99 h LYS 358 Ca -0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1g99 h LYS 358 Cb 1.34 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1g99 h LYS 358 CO 0.13 0.37 0.00 -1.71 -0.57 0.00 0.00 179.45 177.67 1g99 n ASN 359 N -4.23 0.00 0.12 0.86 5.15 -0.35 -2.37 115.26 114.45 1g99 n ASN 359 Ca -0.01 0.43 0.12 0.00 -0.60 0.00 0.00 54.58 54.51 1g99 n ASN 359 Cb 0.31 -0.46 0.03 0.00 -0.53 0.00 0.00 39.78 39.13 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 -7.12 1.20 1.57 -1.42 -3.41 116.57 107.39 1g99 h LYS 360 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1g99 h LYS 360 Cb 0.15 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.61 1g99 h LYS 360 CO 0.00 0.00 0.48 0.42 -0.57 0.00 0.00 179.45 179.78 1g99 s ILE 361 N -3.34 2.23 0.07 1.86 1.01 -1.00 -4.99 121.20 117.04 1g99 s ILE 361 Ca 0.01 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1g99 s ILE 361 Cb 0.09 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1g99 s ILE 361 CO 0.77 -0.04 -0.07 -0.13 0.00 0.00 0.00 174.94 175.47 1g99 s ARG 362 N -3.46 0.66 -1.17 2.79 0.52 -1.26 -4.91 118.95 112.12 1g99 s ARG 362 Ca 0.80 -1.01 -0.04 0.00 -0.52 0.00 0.00 55.73 54.96 1g99 s ARG 362 Cb -0.34 -0.26 -0.02 0.00 0.52 0.00 0.00 34.95 34.85 1g99 s ARG 362 CO 0.39 0.02 0.88 0.41 0.02 0.00 0.00 175.30 177.02 1g99 n GLY 363 N 0.82 -0.65 3.53 -3.53 0.00 -1.26 -5.01 105.19 99.09 1g99 n GLY 363 Ca -0.18 0.29 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.28 0.85 -0.18 1.61 -0.21 -1.26 -5.05 119.66 110.13 1g99 s GLN 364 Ca 0.19 0.04 -0.29 0.00 0.02 0.00 0.00 55.36 55.32 1g99 s GLN 364 Cb -0.04 0.40 -0.00 0.00 1.00 0.00 0.00 33.01 34.37 1g99 s GLN 364 CO 0.77 -0.30 1.07 -1.21 -2.12 0.00 0.00 175.29 173.49 1g99 s GLU 365 N -1.77 4.30 -0.10 2.91 2.02 -1.25 -4.48 118.70 120.33 1g99 s GLU 365 Ca -0.03 1.42 -0.20 0.00 0.02 0.00 0.00 54.97 56.18 1g99 s GLU 365 Cb -0.00 -3.62 0.05 0.00 0.10 0.00 0.00 34.13 30.65 1g99 s GLU 365 CO 0.01 -0.55 0.48 -1.50 0.02 0.00 0.00 175.26 173.72 1g99 s ILE 366 N 2.87 0.02 -0.22 -1.63 2.07 -0.61 -4.97 121.20 118.73 1g99 s ILE 366 Ca 0.47 -0.15 -0.21 0.00 -1.41 0.00 0.00 60.65 59.35 1g99 s ILE 366 Cb -0.17 -0.74 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 1g99 s ILE 366 CO 0.11 -0.08 0.63 -0.62 -1.91 0.00 0.00 174.94 173.07 1g99 s ASP 367 N -0.60 6.65 -0.06 4.50 -1.08 -1.26 -0.74 116.67 124.09 1g99 s ASP 367 Ca -0.07 0.80 0.14 0.00 -0.52 0.00 0.00 52.55 52.90 1g99 s ASP 367 Cb -0.03 -2.35 0.44 0.00 -1.46 0.00 0.00 42.92 39.52 1g99 s ASP 367 CO 0.04 -0.31 1.37 2.30 0.52 0.00 0.00 175.17 179.09 1g99 n ILE 368 N 4.87 1.46 -2.83 4.11 -5.35 -0.29 -4.99 119.36 116.35 1g99 n ILE 368 Ca -0.01 -1.26 -0.26 0.00 -0.27 0.00 0.00 62.75 60.95 1g99 n ILE 368 Cb 0.49 0.25 -0.00 0.00 -1.74 0.00 0.00 39.64 38.64 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 -1.23 6.18 0.66 7.28 1.04 -1.25 -0.34 113.70 126.03 1g99 s SER 369 Ca 0.33 0.74 -0.15 0.00 0.48 0.00 0.00 55.95 57.36 1g99 s SER 369 Cb 0.22 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1g99 s SER 369 CO 0.16 -0.56 1.11 0.42 0.98 0.00 0.00 173.24 175.36 1g99 s THR 370 N -2.64 3.23 0.13 2.02 -4.23 -0.74 -4.56 115.64 108.85 1g99 s THR 370 Ca 0.46 0.57 0.34 0.00 -1.18 0.00 0.00 61.69 61.88 1g99 s THR 370 Cb -0.10 -3.09 0.36 0.00 1.34 0.00 0.00 72.50 71.01 1g99 s THR 370 CO 0.42 -0.35 2.01 1.55 -0.54 0.00 0.00 174.62 177.71 1g99 h PRO 371 N 0.02 0.00 -0.01 3.99 0.13 -1.97 -2.81 132.00 131.36 1g99 h PRO 371 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1g99 h PRO 371 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1g99 h PRO 371 CO 0.54 0.00 -0.52 -0.40 -0.23 0.00 0.00 178.00 177.39 1g99 n ASP 372 N -2.83 1.12 -4.77 1.44 5.75 -1.26 -4.95 116.55 111.06 1g99 n ASP 372 Ca -0.01 -0.90 -0.41 0.00 -0.01 0.00 0.00 54.79 53.47 1g99 n ASP 372 Cb 0.18 0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 40.68 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 -2.72 3.56 0.15 2.12 0.00 -1.06 -4.93 121.76 118.88 1g99 s ALA 373 Ca 0.16 1.43 -0.08 0.00 0.00 0.00 0.00 51.96 53.47 1g99 s ALA 373 Cb 0.18 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1g99 s ALA 373 CO 0.65 -0.86 1.43 -0.22 0.00 0.00 0.00 175.76 176.76 1g99 h LYS 374 N 3.45 0.73 -5.13 0.00 3.64 -1.84 -3.42 116.57 113.99 1g99 h LYS 374 Ca -0.49 -0.49 -0.62 0.00 -1.27 0.00 0.00 60.65 57.78 1g99 h LYS 374 Cb 1.23 0.07 -0.16 0.00 -0.41 0.00 0.00 32.23 32.95 1g99 h LYS 374 CO 0.67 1.11 -0.54 0.08 -2.27 0.00 0.00 179.45 178.49 1g99 s VAL 375 N -4.00 4.99 0.37 2.00 1.01 -0.48 -4.94 120.40 119.34 1g99 s VAL 375 Ca -0.09 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 1g99 s VAL 375 Cb 0.10 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 33.08 1g99 s VAL 375 CO 0.87 0.38 0.94 -0.13 0.00 0.00 0.00 175.10 177.17 1g99 s ARG 376 N 0.90 4.42 -0.23 2.72 1.81 -0.65 -4.64 118.95 123.29 1g99 s ARG 376 Ca 0.06 1.23 0.02 0.00 -1.72 0.00 0.00 55.73 55.31 1g99 s ARG 376 Cb -0.13 -2.51 0.05 0.00 -0.45 0.00 0.00 34.95 31.90 1g99 s ARG 376 CO 0.03 0.14 -0.12 0.08 -0.68 0.00 0.00 175.30 174.74 1g99 s VAL 377 N -1.88 1.97 0.01 3.52 1.01 -1.26 -0.78 120.40 122.99 1g99 s VAL 377 Ca 0.56 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1g99 s VAL 377 Cb -0.14 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1g99 s VAL 377 CO 0.19 0.13 -0.02 -0.36 0.00 0.00 0.00 175.10 175.04 1g99 s PHE 378 N 1.23 3.02 -0.24 5.22 0.08 0.20 -1.13 117.98 126.35 1g99 s PHE 378 Ca -0.04 0.04 -0.07 0.00 0.12 0.00 0.00 56.93 56.98 1g99 s PHE 378 Cb -0.18 -1.64 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1g99 s PHE 378 CO -0.08 0.44 0.05 0.08 -0.10 0.00 0.00 175.22 175.62 1g99 s VAL 379 N -1.09 4.20 -0.17 -0.44 1.01 0.08 -1.28 120.40 122.71 1g99 s VAL 379 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1g99 s VAL 379 Cb -0.11 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.36 1g99 s VAL 379 CO 0.10 0.36 0.01 -0.63 0.00 0.00 0.00 175.10 174.94 1g99 s ILE 380 N 1.52 0.66 0.30 2.22 1.01 -0.50 -1.57 121.20 124.84 1g99 s ILE 380 Ca 0.06 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 1g99 s ILE 380 Cb -0.15 -1.03 -0.11 0.00 0.01 0.00 0.00 42.46 41.18 1g99 s ILE 380 CO 0.03 -0.05 1.58 -2.84 0.00 0.00 0.00 174.94 173.66 1g99 s PRO 381 N 1.81 4.13 0.07 2.79 0.02 -1.26 -4.37 135.00 138.20 1g99 s PRO 381 Ca 0.00 2.57 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1g99 s PRO 381 Cb -0.16 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 1g99 s PRO 381 CO -0.07 -0.62 0.50 -0.08 -0.33 0.00 0.00 177.00 176.40 1g99 s THR 382 N -0.06 4.90 -0.39 0.99 -1.32 -1.26 -4.95 115.64 113.54 1g99 s THR 382 Ca 0.62 0.91 0.02 0.00 -1.21 0.00 0.00 61.69 62.04 1g99 s THR 382 Cb -0.47 -3.77 0.11 0.00 -1.51 0.00 0.00 72.50 66.86 1g99 s THR 382 CO 0.49 0.44 0.15 0.21 -2.21 0.00 0.00 174.62 173.70 1g99 s ASN 383 N -1.35 4.22 0.12 8.08 3.84 -1.26 -4.95 114.94 123.64 1g99 s ASN 383 Ca 0.30 -2.30 -0.30 0.00 0.21 0.00 0.00 52.86 50.78 1g99 s ASN 383 Cb -0.17 -1.29 -0.09 0.00 -0.55 0.00 0.00 41.25 39.16 1g99 s ASN 383 CO 0.17 -0.33 1.59 -0.08 -2.79 0.00 0.00 177.10 175.66 1g99 h GLU 384 N 7.31 -0.58 -0.54 0.43 4.81 -1.96 -1.43 114.58 122.62 1g99 h GLU 384 Ca -0.07 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1g99 h GLU 384 Cb 0.97 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.42 1g99 h GLU 384 CO 0.53 -0.39 0.22 0.93 -0.73 0.00 0.00 179.01 179.58 1g99 h GLU 385 N -0.60 0.41 -0.60 1.92 3.07 -1.99 -1.33 114.58 115.45 1g99 h GLU 385 Ca 0.03 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1g99 h GLU 385 Cb 0.65 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 1g99 h GLU 385 CO -0.26 0.27 0.13 1.25 -1.40 0.00 0.00 179.01 178.99 1g99 h LEU 386 N 0.42 0.89 -0.74 1.33 5.85 -1.95 -1.54 115.31 119.57 1g99 h LEU 386 Ca 0.26 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1g99 h LEU 386 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1g99 h LEU 386 CO -0.24 0.88 0.23 0.00 -0.34 0.00 0.00 178.44 178.96 1g99 h ALA 387 N 1.23 0.97 -0.27 1.25 0.00 -0.58 0.47 119.26 122.33 1g99 h ALA 387 Ca 0.19 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1g99 h ALA 387 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1g99 h ALA 387 CO 0.00 0.66 -0.26 0.82 0.00 0.00 0.00 179.25 180.47 1g99 h ILE 388 N 1.11 1.27 -0.23 0.00 2.04 -1.02 -1.35 117.51 119.33 1g99 h ILE 388 Ca 0.24 -1.32 -0.18 0.00 1.00 0.00 0.00 64.86 64.60 1g99 h ILE 388 Cb 0.32 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1g99 h ILE 388 CO -0.01 0.42 -0.57 0.00 0.00 0.00 0.00 178.15 177.99 1g99 h ALA 389 N 1.25 0.38 -0.40 1.87 0.00 -0.77 -1.32 119.26 120.27 1g99 h ALA 389 Ca 0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1g99 h ALA 389 Cb 0.71 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1g99 h ALA 389 CO 0.05 0.61 0.24 0.00 0.00 0.00 0.00 179.25 180.15 1g99 h ARG 390 N 0.54 0.54 -0.66 0.00 3.08 -0.70 -0.17 114.38 117.00 1g99 h ARG 390 Ca -0.01 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.05 1g99 h ARG 390 Cb 1.19 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.07 1g99 h ARG 390 CO 0.12 0.40 0.37 0.93 -1.07 0.00 0.00 179.97 180.72 1g99 h GLU 391 N 0.52 0.66 -0.49 0.04 4.39 -1.18 -0.45 114.58 118.07 1g99 h GLU 391 Ca 0.14 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1g99 h GLU 391 Cb 0.00 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1g99 h GLU 391 CO -0.03 0.43 0.18 1.15 -1.16 0.00 0.00 179.01 179.58 1g99 h THR 392 N 0.68 1.22 -0.45 1.13 2.02 -0.68 -2.22 112.91 114.61 1g99 h THR 392 Ca 0.30 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 1g99 h THR 392 Cb 0.19 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1g99 h THR 392 CO -0.18 0.26 0.14 0.50 0.37 0.00 0.00 175.52 176.61 1g99 h LYS 393 N 0.65 0.69 -0.03 6.66 3.64 -0.67 -0.08 116.57 127.42 1g99 h LYS 393 Ca 0.16 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1g99 h LYS 393 Cb 0.23 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1g99 h LYS 393 CO -0.01 0.67 -0.11 1.49 -2.27 0.00 0.00 179.45 179.21 1g99 h GLU 394 N 0.58 -0.17 0.33 1.90 4.81 -0.88 0.53 114.58 121.68 1g99 h GLU 394 Ca 0.14 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1g99 h GLU 394 Cb 0.26 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1g99 h GLU 394 CO -0.01 -0.11 -0.16 0.82 -0.73 0.00 0.00 179.01 178.83 1g99 h ILE 395 N -0.17 0.69 -0.05 2.32 1.08 -1.33 -1.63 117.51 118.43 1g99 h ILE 395 Ca 0.05 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1g99 h ILE 395 Cb 0.25 0.80 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1g99 h ILE 395 CO -0.14 0.04 0.09 0.58 -0.69 0.00 0.00 178.15 178.03 1g99 h VAL 396 N -0.55 0.29 0.00 1.67 2.07 -0.88 -3.17 116.25 115.68 1g99 h VAL 396 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1g99 h VAL 396 Cb 0.41 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1g99 h VAL 396 CO 0.07 0.00 -0.02 -0.08 0.02 0.00 0.00 177.57 177.57 1g99 h GLU 397 N 0.00 0.00 0.00 1.57 4.81 -0.50 -3.50 114.58 116.95 1g99 h GLU 397 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1g99 h GLU 397 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1g99 h GLU 397 CO -0.00 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 178.53